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Storage time affects the level and diagnostic efficacy of plasma biomarkers for neurodegenerative diseases
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作者 Lifang Zhao Mingkai Zhang +4 位作者 Qimeng Li Xuemin Wang Jie Lu Ying Han Yanning Cai 《Neural Regeneration Research》 SCIE CAS 2025年第8期2373-2381,共9页
Several promising plasma biomarker proteins,such as amyloid-β(Aβ),tau,neurofilament light chain,and glial fibrillary acidic protein,are widely used for the diagnosis of neurodegenerative diseases.However,little is k... Several promising plasma biomarker proteins,such as amyloid-β(Aβ),tau,neurofilament light chain,and glial fibrillary acidic protein,are widely used for the diagnosis of neurodegenerative diseases.However,little is known about the long-term stability of these biomarker proteins in plasma samples stored at-80°C.We aimed to explore how storage time would affect the diagnostic accuracy of these biomarkers using a large cohort.Plasma samples from 229 cognitively unimpaired individuals,encompassing healthy controls and those experiencing subjective cognitive decline,as well as 99 patients with cognitive impairment,comprising those with mild cognitive impairment and dementia,were acquired from the Sino Longitudinal Study on Cognitive Decline project.These samples were stored at-80°C for up to 6 years before being used in this study.Our results showed that plasma levels of Aβ42,Aβ40,neurofilament light chain,and glial fibrillary acidic protein were not significantly correlated with sample storage time.However,the level of total tau showed a negative correlation with sample storage time.Notably,in individuals without cognitive impairment,plasma levels of total protein and tau phosphorylated protein threonine 181(p-tau181)also showed a negative correlation with sample storage time.This was not observed in individuals with cognitive impairment.Consequently,we speculate that the diagnostic accuracy of plasma p-tau181 and the p-tau181 to total tau ratio may be influenced by sample storage time.Therefore,caution is advised when using these plasma biomarkers for the identification of neurodegenerative diseases,such as Alzheimer's disease.Furthermore,in cohort studies,it is important to consider the impact of storage time on the overall results. 展开更多
关键词 Alzheimer’s disease amyloid-β diagnostic ability glial fibrillary acidic protein NEURODEGENERATION neurofilament light chain plasma biomarkers single molecule array storage time tau
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Small molecule inhibitor DDQ-treated hippocampal neuronal cells show improved neurite outgrowth and synaptic branching
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作者 Jangampalli Adi Pradeepkiran Priyanka Rawat +2 位作者 Arubala P.Reddy Erika Orlov PHemachandra Reddy 《Neural Regeneration Research》 SCIE CAS 2025年第9期2624-2632,共9页
The process of neurite outgrowth and branching is a crucial aspect of neuronal development and regeneration.Axons and dendrites,sometimes referred to as neurites,are extensions of a neuron's cellular body that are... The process of neurite outgrowth and branching is a crucial aspect of neuronal development and regeneration.Axons and dendrites,sometimes referred to as neurites,are extensions of a neuron's cellular body that are used to start networks.Here we explored the effects of diethyl(3,4-dihydroxyphenethylamino)(quinolin-4-yl)methylphosphonate(DDQ)on neurite developmental features in HT22 neuronal cells.In this work,we examined the protective effects of DDQ on neuronal processes and synaptic outgrowth in differentiated HT22cells expressing mutant Tau(mTau)cDNA.To investigate DDQ chara cteristics,cell viability,biochemical,molecular,western blotting,and immunocytochemistry were used.Neurite outgrowth is evaluated through the segmentation and measurement of neural processes.These neural processes can be seen and measured with a fluorescence microscope by manually tracing and measuring the length of the neurite growth.These neuronal processes can be observed and quantified with a fluorescent microscope by manually tracing and measuring the length of the neuronal HT22.DDQ-treated mTau-HT22 cells(HT22 cells transfected with cDNA mutant Tau)were seen to display increased levels of synaptophysin,MAP-2,andβ-tubulin.Additionally,we confirmed and noted reduced levels of both total and p-Tau,as well as elevated levels of microtubule-associated protein 2,β-tubulin,synaptophysin,vesicular acetylcholine transporter,and the mitochondrial biogenesis protein-pe roxisome prolife rator-activated receptor-gamma coactivator-1α.In mTa u-expressed HT22 neurons,we observed DDQ enhanced the neurite characteristics and improved neurite development through increased synaptic outgrowth.Our findings conclude that mTa u-HT22(Alzheimer's disease)cells treated with DDQ have functional neurite developmental chara cteristics.The key finding is that,in mTa u-HT22 cells,DDQ preserves neuronal structure and may even enhance nerve development function with mTa u inhibition. 展开更多
关键词 diethyl(3 4-dihydroxyphenethylamino)(quinolin-4-yl)methylphosphonate(DDQ) hippocampal neuronal cells HT22 neurite outgrowth neuronal development small molecule
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Autism spectrum disorder:difficulties in diagnosis and microRNA biomarkers
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作者 Bridget Martinez Philip V.Peplow 《Neural Regeneration Research》 SCIE CAS 2025年第10期2776-2786,共11页
We performed a PubMed search for microRNAs in autism spectrum disorder that could serve as diagnostic biomarkers in patients and selected 17 articles published from January 2008 to December 2023,of which 4 studies wer... We performed a PubMed search for microRNAs in autism spectrum disorder that could serve as diagnostic biomarkers in patients and selected 17 articles published from January 2008 to December 2023,of which 4 studies were performed with whole blood,4 with blood plasma,5 with blood serum,1 with serum neural cell adhesion molecule L1-captured extracellular vesicles,1 with blood cells,and 2 with peripheral blood mononuclear cells.Most of the studies involved children and the study cohorts were largely males.Many of the studies had performed microRNA sequencing or quantitative polymerase chain reaction assays to measure microRNA expression.Only five studies had used real-time polymerase chain reaction assay to validate microRNA expression in autism spectrum disorder subjects compared to controls.The microRNAs that were validated in these studies may be considered as potential candidate biomarkers for autism spectrum disorder and include miR-500a-5p,-197-5p,-424-5p,-664a-3p,-365a-3p,-619-5p,-664a-3p,-3135a,-328-3p,and-500a-5p in blood plasma and miR-151a-3p,-181b-5p,-320a,-328,-433,-489,-572,-663a,-101-3p,-106b-5p,-19b-3p,-195-5p,and-130a-3p in blood serum of children,and miR-15b-5p and-6126 in whole blood of adults.Several important limitations were identified in the studies reviewed,and need to be taken into account in future studies.Further studies are warranted with children and adults having different levels of autism spectrum disorder severity and consideration should be given to using animal models of autism spectrum disorder to investigate the effects of suppressing or overexpressing specific microRNAs as a novel therapy. 展开更多
关键词 autism spectrum disorder BIOMARKER blood cells blood plasma blood serum DIAGNOSIS MICRORNA peripheral blood mononuclear cells serum neural cell adhesion molecule L1-captured extracellular vesicles whole blood
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Lactate metabolism in neurodegenerative diseases 被引量:5
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作者 Chaoguang Yang Rui-Yuan Pan +1 位作者 Fangxia Guan Zengqiang Yuan 《Neural Regeneration Research》 SCIE CAS CSCD 2024年第1期69-74,共6页
Lactate,a byproduct of glycolysis,was thought to be a metabolic waste until the discovery of the Warburg effect.Lactate not only functions as a metabolic substrate to provide energy but can also function as a signalin... Lactate,a byproduct of glycolysis,was thought to be a metabolic waste until the discovery of the Warburg effect.Lactate not only functions as a metabolic substrate to provide energy but can also function as a signaling molecule to modulate cellular functions under pathophysiological conditions.The Astrocyte-Neuron Lactate Shuttle has cla rified that lactate plays a pivotal role in the central nervous system.Moreover,protein lactylation highlights the novel role of lactate in regulating transcription,cellular functions,and disease development.This review summarizes the recent advances in lactate metabolism and its role in neurodegenerative diseases,thus providing optimal pers pectives for future research. 展开更多
关键词 Alzheimer's disease Astrocyte-Neuron Lactate Shuttle brain central nervous system glucose metabolism GLYCOLYSIS NEUROINFLAMMATION Parkinson's disease protein lactylation signaling molecule
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Critical Solvation Structures Arrested Active Molecules for Reversible Zn Electrochemistry 被引量:1
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作者 Junjie Zheng Bao Zhang +14 位作者 Xin Chen Wenyu Hao Jia Yao Jingying Li Yi Gan Xiaofang Wang Xingtai Liu Ziang Wu Youwei Liu Lin Lv Li Tao Pei Liang Xiao Ji Hao Wang Houzhao Wan 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第8期64-78,共15页
Aqueous Zn-ion batteries(AZIBs)have attracted increasing attention in next-generation energy storage systems due to their high safety and economic.Unfortunately,the side reactions,dendrites and hydrogen evolution effe... Aqueous Zn-ion batteries(AZIBs)have attracted increasing attention in next-generation energy storage systems due to their high safety and economic.Unfortunately,the side reactions,dendrites and hydrogen evolution effects at the zinc anode interface in aqueous electrolytes seriously hinder the application of aqueous zinc-ion batteries.Here,we report a critical solvation strategy to achieve reversible zinc electrochemistry by introducing a small polar molecule acetonitrile to form a“catcher”to arrest active molecules(bound water molecules).The stable solvation structure of[Zn(H_(2)O)_(6)]^(2+)is capable of maintaining and completely inhibiting free water molecules.When[Zn(H_(2)O)_(6)]^(2+)is partially desolvated in the Helmholtz outer layer,the separated active molecules will be arrested by the“catcher”formed by the strong hydrogen bond N-H bond,ensuring the stable desolvation of Zn^(2+).The Zn||Zn symmetric battery can stably cycle for 2250 h at 1 mAh cm^(-2),Zn||V_(6)O_(13) full battery achieved a capacity retention rate of 99.2%after 10,000 cycles at 10 A g^(-1).This paper proposes a novel critical solvation strategy that paves the route for the construction of high-performance AZIBs. 展开更多
关键词 Zinc-ion battery Critical solvation Helmholtz layer Arrest active molecule Reversible zinc anode
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Development of small molecule drugs targeting immune checkpoints 被引量:1
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作者 Luoyi Chen Xinchen Zhao +3 位作者 Xiaowei Liu Yujie Ouyang Chuan Xu Ying Shi 《Cancer Biology & Medicine》 SCIE CAS CSCD 2024年第5期382-399,共18页
Immune checkpoint inhibitors(ICIs)are used to relieve and refuel anti-tumor immunity by blocking the interaction,transcription,and translation of co-inhibitory immune checkpoints or degrading co-inhibitory immune chec... Immune checkpoint inhibitors(ICIs)are used to relieve and refuel anti-tumor immunity by blocking the interaction,transcription,and translation of co-inhibitory immune checkpoints or degrading co-inhibitory immune checkpoints.Thousands of small molecule drugs or biological materials,especially antibody-based ICIs,are actively being studied and antibodies are currently widely used.Limitations,such as anti-tumor efficacy,poor membrane permeability,and unneglected tolerance issues of antibody-based ICIs,remain evident but are thought to be overcome by small molecule drugs.Recent structural studies have broadened the scope of candidate immune checkpoint molecules,as well as innovative chemical inhibitors.By way of comparison,small molecule drug-based ICIs represent superior oral bioavailability and favorable pharmacokinetic features.Several ongoing clinical trials are exploring the synergetic effect of ICIs and other therapeutic strategies based on multiple ICI functions,including immune regulation,anti-angiogenesis,and cell cycle regulation.In this review we summarized the current progression of small molecule ICIs and the mechanism underlying immune checkpoint proteins,which will lay the foundation for further exploration. 展开更多
关键词 Immune checkpoints small molecule drugs programmed death protein 1 CD47 signal-regulatory proteinα
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Neuronal conversion from glia to replenish the lost neurons 被引量:1
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作者 Shiyu Liang Jing Zhou +2 位作者 Xiaolin Yu Shuai Lu Ruitian Liu 《Neural Regeneration Research》 SCIE CAS CSCD 2024年第7期1446-1453,共8页
Neuronal injury,aging,and cerebrovascular and neurodegenerative diseases such as cerebral infarction,Alzheimer’s disease,Parkinson’s disease,frontotemporal dementia,amyotrophic lateral sclerosis,and Huntington’s di... Neuronal injury,aging,and cerebrovascular and neurodegenerative diseases such as cerebral infarction,Alzheimer’s disease,Parkinson’s disease,frontotemporal dementia,amyotrophic lateral sclerosis,and Huntington’s disease are characte rized by significant neuronal loss.Unfo rtunately,the neurons of most mammals including humans do not possess the ability to self-regenerate.Replenishment of lost neurons becomes an appealing therapeutic strategy to reve rse the disease phenotype.Transplantation of pluripotent neural stem cells can supplement the missing neurons in the brain,but it carries the risk of causing gene mutation,tumorigenesis,severe inflammation,and obstructive hydrocephalus induced by brain edema.Conversion of neural or non-neural lineage cells into functional neurons is a promising strategy for the diseases involving neuron loss,which may overcome the above-mentioned disadvantages of neural stem cell therapy.Thus far,many strategies to transfo rm astrocytes,fibroblasts,microglia,Muller glia,NG2 cells,and other glial cells to mature and functional neurons,or for the conversion between neuronal subtypes have been developed thro ugh the regulation of transcription factors,polypyrimidine tra ct binding protein 1(PTBP1),and small chemical molecules or are based on a combination of several factors and the location in the central nervous system.However,some recent papers did not obtain expected results,and discrepancies exist.Therefore,in this review,we discuss the history of neuronal transdifferentiation,summarize the strategies for neuronal replenishment and conversion from glia,especially astrocytes,and point out that biosafety,new strategies,and the accurate origin of the truly co nverted neurons in vivo should be focused upon in future studies.It also arises the attention of replenishing the lost neurons from glia by gene therapies such as up-regulation of some transc ription factors or downregulation of PTBP1 or drug interfe rence therapies. 展开更多
关键词 ASTROCYTES neural stem cells neurodegenerative diseases neuron polypyrimidine tract binding protein 1 repair REPROGRAMMING small molecule transcription factor TRANSDIFFERENTIATION
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Trace Cobalt Doping and Defect Engineering of High Surface Area α-Ni(OH)_(2) for Electrocatalytic Urea Oxidation 被引量:1
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作者 Yi Liu Zhihui Yang +2 位作者 Yuqin Zou Shuangyin Wang Junying He 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第2期111-118,共8页
Owing to the intrinsically sluggish kinetics of urea oxidation reaction(UOR)involving a six-electron transfer process,developing efficient UOR electrocatalyst is a great challenge remained to be overwhelmed.Herein,by ... Owing to the intrinsically sluggish kinetics of urea oxidation reaction(UOR)involving a six-electron transfer process,developing efficient UOR electrocatalyst is a great challenge remained to be overwhelmed.Herein,by taking advantage of 2-Methylimidazole,of which is a kind of alkali in water and owns strong coordination ability to Co^(2+)in methanol,trace Co(1.0 mol%)addition was found to induce defect engineering onα-Ni(OH)_(2)in a dual-solvent system of water and methanol.Physical characterization results revealed that the synthesized electrocatalyst(WM-Ni_(0.99)Co_(0.01)(OH)_(2))was a kind of defective nanosheet with thickness around 5-6 nm,attributing to the synergistic effect of Co doping and defect engineering,its electron structure was finely altered,and its specific surface a rea was tremendously enlarged from 68 to 172.3 m^(2)g^(-1).With all these merits,its overpotential to drive 10 mA cm^(-2)was reduced by 110 mV.Besides,the interfacial behavior of UOR was also well deciphered by operando electrochemical impedance spectroscopy. 展开更多
关键词 defect engineering ELECTROCATALYSIS small molecule oxidation
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Inetetamab combined with pyrotinib and chemotherapy in the treatment of breast cancer brain metastasis: A case report 被引量:1
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作者 Qing-Qing Dou Ting-Ting Sun +1 位作者 Guo-Qiang Wang Wei-Bing Tong 《World Journal of Clinical Cases》 SCIE 2024年第3期575-581,共7页
BACKGROUND Breast cancer brain metastasis(BCBM)is an advanced breast disease that is difficult to treat and is associated with a high risk of death.Patient prognosis is usually poor,with reduced quality of life.In thi... BACKGROUND Breast cancer brain metastasis(BCBM)is an advanced breast disease that is difficult to treat and is associated with a high risk of death.Patient prognosis is usually poor,with reduced quality of life.In this context,we report the case of a patient with HER-2-positive BCBM treated with a macromolecular mAb(ine-tetamab)combined with a small molecule tyrosine kinase inhibitor(TKI).CASE SUMMARY The patient was a 58-year-old woman with a 12-year history of type 2 diabetes.She was compliant with regular insulin treatment and had good blood glucose control.The patient was diagnosed with invasive carcinoma of the right breast(T3N1M0 stage IIIa,HER2-positive type)through aspiration biopsy of the ipsilateral breast due to the discovery of a breast tumor in February 2019.Immunohistochemistry showed ER(-),PR(-),HER-2(3+),and Ki-67(55-60%+).Preoperative neoadjuvant chemotherapy,i.e.,the AC-TH regimen(epirubicin,cyclophosphamide,docetaxel-paclitaxel,and trastuzumab),was administered for 8 cycles.She underwent modified radical mastectomy of the right breast in November 2019 and received tocilizumab targeted therapy for 1 year.Brain metastasis was found 9 mo after surgery.She underwent brain metastasectomy in August 2020.Immunohistochemistry showed ER(-)and PR.(-),HER-2(3+),and Ki-67(10-20%+).In November 2020,the patient experienced headache symptoms.After an examination,tumor recurrence in the original surgical region of the brain was observed,and the patient was treated with inetetamab,pyrotinib,and capecitabine.Whole-brain radiotherapy was recommended.The patient and her family refused radiotherapy for personal reasons.In September 2021,a routine examination revealed that the brain tumor was considerably larger.The original systemic treatment was continued and combined with intensity-modulated radiation therapy for brain metastases,followed by regular hospitalization and routine examinations.The patient’s condition is generally stable,and she has a relatively high quality of life.This case report demonstrates that in patients with BCBM and resistance to trastuzumab,inetetamab combined with pyrotinib and chemotherapy can prolong survival.CONCLUSION Inetetamab combined with small molecule TKI drugs,chemotherapy and radiation may be an effective regimen for maintaining stable disease in patients with BCBM. 展开更多
关键词 Breast cancer brain metastasis Resistance to trastuzumab Macromolecule inetetamab Small molecule tyrosine kinase inhibitor Radiation therapy HER2-positive Case report
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A Catalog of ^(13)CO Clumps from the MWISP in l=10°–20°
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作者 Xiaoyu Luo Sheng Zheng +8 位作者 Zhibo Jiang Zhiwei Chen Yao Huang Shuguang Zeng Xiangyun Zeng Rui Zhang Chen Long Guangrong Zhou Jinbo Hu 《Research in Astronomy and Astrophysics》 SCIE CAS CSCD 2024年第5期218-234,共17页
In this study, we present a catalog of molecular clumps extracted from ^(13)CO(J=1-0) emission data of the Milky Way Imaging Scroll Painting(MWISP) project. The data covers the inner Milky Way within the longitude ran... In this study, we present a catalog of molecular clumps extracted from ^(13)CO(J=1-0) emission data of the Milky Way Imaging Scroll Painting(MWISP) project. The data covers the inner Milky Way within the longitude range10°≤l≤20° and the latitude strip of |b|≤ 5°. 25. The workflow for the extraction of clumps, namely Facet-SS-3DClump, consists of two parts: the identification of clump candidates and their verification. First, Facet-SS-3DClump employs FacetClumps to identify clump candidates. Subsequently, high-confidence clumps are obtained by cross-matching with the clumps detected by other algorithms, such as dendrogram. Second, these high-confidence clumps are used as prior knowledge to train a semi-supervised deep clustering approach, SS-3D-Clump, which is applied to verify clump candidates detected by FacetClumps, providing confidence levels for the molecular clumps. Finally, the catalog comprising 18,757 molecular clumps was obtained using Facet-SS-3D-Clump, and the catalog is 90% complete above 37 K km s^(-1). We observe a significant deviation of the mean Galactic latitude for clumps within |b|≤ 2° from the midplane, with b=-0°.110. We found that 82.3% of the dust clumps correspond to ^(13)CO clumps by matching with Herschel infrared dust clumps. In the future, Facet-SS-3D-Clump will be applied to detect ^(13)CO clumps in the entire MWISP data. 展开更多
关键词 ISM MOLECULES methods data analysis-stars FORMATION
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H-and J-aggregation of conjugated small molecules in organic solar cells
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作者 Qiaoqiao Zhao Feng He 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期174-192,I0005,共20页
As H-and J-aggregation receive more and more attention in the research of organic solar cells(OSCs),especially in small molecular systems,deep understanding of aggregation behavior is needed to guide the design of con... As H-and J-aggregation receive more and more attention in the research of organic solar cells(OSCs),especially in small molecular systems,deep understanding of aggregation behavior is needed to guide the design of conjugated small molecular structure and the fabrication process of OSC device.For this end,this review is written.Here,the review firstly introduced the basic information about H-and J-aggregation of conjugated small molecules in OSCs.Then,the characteristics of H-and J-aggregation and the methods to identify them were summarized.Next,it reviewed the research progress of H-and J-aggregation of conjugated small molecules in OSCs,including the factors influencing H-and J-aggregation in thin film and the effects of H-and J-aggregation on OPV performance. 展开更多
关键词 H-AGGREGATION J-AGGREGATION Organic solar cells Small molecules EFFICIENCY STABILITY
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The ALMA-QUARKS Survey.Ⅰ.Survey Description and Data Reduction
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作者 刘训川 Tie Liu +31 位作者 Lei Zhu Guido Garay Hong-Li Liu Paul Goldsmith Neal Evans Kee-Tae Kim Sheng-Yuan Liu Fengwei Xu Xing Lu Anandmayee Tej Xiaofeng Mai Leonardo Bronfman Shanghuo Li Diego Mardones Amelia Stutz Ken'ichi Tatematsu Ke Wang Qizhou Zhang Sheng-Li Qin Jianwen Zhou Qiuyi Luo Siju Zhang Yu Cheng Jinhua He Qilao Gu Ziyang Li Zhenying Zhang Suinan Zhang Anindya Saha Lokesh Dewangan Patricio Sanhueza Zhiqiang Shen 《Research in Astronomy and Astrophysics》 SCIE CAS CSCD 2024年第2期104-124,共21页
This paper presents an overview of the QUARKS survey,which stands for Querying Underlying mechanisms of massive star formation with ALMA-Resolved gas Kinematics and Structures."The QUARKS survey is observing139 m... This paper presents an overview of the QUARKS survey,which stands for Querying Underlying mechanisms of massive star formation with ALMA-Resolved gas Kinematics and Structures."The QUARKS survey is observing139 massive clumps covered by 156 pointings at Atacama Large Millimeter/submillimeter Array(ALMA)Band 6(λ~1.3 mm).In conjunction with data obtained from the ALMA-ATOMS survey at Band 3(λ~3 mm),QUARKS aims to carry out an unbiased statistical investigation of massive star formation process within protoclusters down to a scale of 1000 au.This overview paper describes the observations and data reduction of the QUARKS survey,and gives a first look at an exemplar source,the mini-starburst Sgr B2(M).The wide-b and width(7.5 GHz)and high-angular-resolution(~0."3)observations of the QUARKS survey allow for the resolution of much more compact cores than those could be done by the ATOMS survey,and to detect previously unrevealed fainter filamentary structures.The spectral windows cover transitions of species including CO,SO,N_(2)D^(+),SiO,H_(30)α,H_(2)CO,CH_(3)CN,and many other complex organic molecules,tracing gas components with different temperatures and spatial extents.QUARKS aims to deepen our understanding of several scientific topics of massive star formation,such as the mass transport within protoclusters by(hub-)filamentary structures,the existence of massive starless cores,the physical and chemical properties of dense cores within protoclusters,and the feedback from already formed high-mass young protostars. 展开更多
关键词 STARS formation-stars kinematics and dynamics-ISM clouds-ISM MOLECULES
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Knowledge-reused transfer learning for molecular and materials science
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作者 An Chen Zhilong Wang +6 位作者 Karl Luigi Loza Vidaurre Yanqiang Han Simin Ye Kehao Tao Shiwei Wang Jing Gao Jinjin Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第11期149-168,共20页
Leveraging big data analytics and advanced algorithms to accelerate and optimize the process of molecular and materials design, synthesis, and application has revolutionized the field of molecular and materials scienc... Leveraging big data analytics and advanced algorithms to accelerate and optimize the process of molecular and materials design, synthesis, and application has revolutionized the field of molecular and materials science, allowing researchers to gain a deeper understanding of material properties and behaviors,leading to the development of new materials that are more efficient and reliable. However, the difficulty in constructing large-scale datasets of new molecules/materials due to the high cost of data acquisition and annotation limits the development of conventional machine learning(ML) approaches. Knowledgereused transfer learning(TL) methods are expected to break this dilemma. The application of TL lowers the data requirements for model training, which makes TL stand out in researches addressing data quality issues. In this review, we summarize recent progress in TL related to molecular and materials. We focus on the application of TL methods for the discovery of advanced molecules/materials, particularly, the construction of TL frameworks for different systems, and how TL can enhance the performance of models. In addition, the challenges of TL are also discussed. 展开更多
关键词 Machine learning Transfer learning Small data MOLECULE Material science
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A novel molybdenite depressant for efficient selective flotation separation of chalcopyrite and molybdenite
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作者 Mengyao Qi Weijun Peng +3 位作者 Wei Wang Yijun Cao Longyu Zhang Yukun Huang 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2024年第8期1179-1196,共18页
A novel small molecule depressant(M-DEP)was used to separate chalcopyrite and molybdenite via flotation.The results showed that M-DEP had an excellent selective depression on molybdenite,while had little effect on the... A novel small molecule depressant(M-DEP)was used to separate chalcopyrite and molybdenite via flotation.The results showed that M-DEP had an excellent selective depression on molybdenite,while had little effect on the flotation of chalcopyrite.The adsorption capacity of M-DEP on the surface of molybdenite was greater than that on chalcopyrite surface.The adsorption of M-DEP reduced the floatability of molybdenite and had less effect on the floatability of chalcopyrite,which was due to its different adsorption modes on the surface of the two minerals.Furthermore,the interaction between chalcopyrite and M-DEP was mainly chemical interaction,and almost all of the adsorbed M-DEP molecules were removed and replaced by sodium butyl xanthate(SBX).By contrast,hydrophobic interaction was the main way in which M-DEP was adsorbed on the molybdenite surface with little chemical interaction,which was less interfered by SBX addition.Therefore,M-DEP had a super selective depression on molybdenite.The study provided a novel depressant and approach for the deep separation of chalcopyrite and molybdenite via flotation. 展开更多
关键词 Novel molecule depressant MOLYBDENITE CHALCOPYRITE Flotation separation Selective depression
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Graphene effectively activating "dead" water molecules between manganese dioxide layers in potassium-ion battery
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作者 Xinhai Wang Wensheng Yang +5 位作者 Shengshang Lu Shangshu Peng Tong Guo Quan Xie Qingquan Xiao Yunjun Ruan 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期306-315,I0008,共11页
Aqueous potassium-ion batteries(APIBs),recognized as safe and reliable new energy devices,are considered as one of the alternatives to traditional batteries.Layered MnO_(2),serving as the main cathode,exhibits a lower... Aqueous potassium-ion batteries(APIBs),recognized as safe and reliable new energy devices,are considered as one of the alternatives to traditional batteries.Layered MnO_(2),serving as the main cathode,exhibits a lower specific capacity in aqueous electrolytes compared to organic systems and operates through a different reaction mechanism.The application of highly conductive graphene may effectively enhance the capacity of APIBs but could complicate the potassium storage environment.In this study,a MnO_(2) cathode pre-intercalated with K~+ions and grown on graphene(KMO@rGO) was developed using the microwave hydrothermal method for APIBs.KMO@rGO achieved a specific capacity of 90 mA h g^(-1) at a current density of 0.1 A g^(-1),maintaining a capacity retention rate of>90% after 5000 cycles at 5 A g^(-1).In-situ and exsitu characterization techniques revealed the energy-storage mechanism of KMO@rGO:layered MnO_(2)traps a large amount of "dead" water molecules during K~+ions removal.However,the introduction of graphene enables these water molecules to escape during K~+ ions insertion at the cathode.The galvanostatic intermittent titration technique and density functional theory confirmed that KMO@rGO has a higher K~+ions migration rate than MnO_(2).Therefore,the capacity of this cathode depends on the interaction between dead water and K~+ions during the energy-storage reaction.The optimal structural alignment between layered MnO_(2) and graphene allows electrons to easily flow into the external circuit.Rapid charge compensation forces numerous low-solvent K~+ions to displace interlayer dead water,enhancing the capacity.This unique reaction mechanism is unprecedented in other aqueous battery studies. 展开更多
关键词 GRAPHENE K-ion batteries Mn-based layered oxide Water molecules Density functional theory
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Molecular Mechanisms of Intracellular Delivery of Nanoparticles Monitored by an Enzyme‑Induced Proximity Labeling
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作者 Junji Ren Zibin Zhang +8 位作者 Shuo Geng Yuxi Cheng Huize Han Zhipu Fan Wenbing Dai Hua Zhang Xueqing Wang Qiang Zhang Bing He 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第6期14-37,共24页
Achieving increasingly finely targeted drug delivery to organs,tissues,cells,and even to intracellular biomacromolecules is one of the core goals of nanomedicines.As the delivery destination is refined to cellular and... Achieving increasingly finely targeted drug delivery to organs,tissues,cells,and even to intracellular biomacromolecules is one of the core goals of nanomedicines.As the delivery destination is refined to cellular and subcellular targets,it is essential to explore the delivery of nanomedicines at the molecular level.However,due to the lack of technical methods,the molecular mechanism of the intracellular delivery of nanomedicines remains unclear to date.Here,we develop an enzyme-induced proximity labeling technology in nanoparticles(nano-EPL)for the real-time monitoring of proteins that interact with intracellular nanomedicines.Poly(lactic-co-glycolic acid)nanoparticles coupled with horseradish peroxidase(HRP)were fabricated as a model(HRP(+)-PNPs)to evaluate the molecular mechanism of nano delivery in macrophages.By adding the labeling probe biotin-phenol and the catalytic substrate H_(2)O_(2)at different time points in cellular delivery,nano-EPL technology was validated for the real-time in situ labeling of proteins interacting with nanoparticles.Nano-EPL achieves the dynamic molecular profiling of 740 proteins to map the intracellular delivery of HRP(+)-PNPs in macrophages over time.Based on dynamic clustering analysis of these proteins,we further discovered that different organelles,including endosomes,lysosomes,the endoplasmic reticulum,and the Golgi apparatus,are involved in delivery with distinct participation timelines.More importantly,the engagement of these organelles differentially affects the drug delivery efficiency,reflecting the spatial–temporal heterogeneity of nano delivery in cells.In summary,these findings highlight a significant methodological advance toward understanding the molecular mechanisms involved in the intracellular delivery of nanomedicines. 展开更多
关键词 Enzyme-induced proximity labeling Intracellular delivery Nano-protein interaction Dynamic molecule profiling MACROPHAGES
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Surface repair of wide-bandgap perovskites for high-performance all-perovskite tandem solar cells
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作者 Xiaojing Lv Weisheng Li +11 位作者 Jin Zhang Yujie Yang Xuefei Jia Yitong Ji Qianqian Lin Wenchao Huang Tongle Bu Zhiwei Ren Canglang Yao Fuzhi Huang Yi-Bing Cheng Jinhui Tong 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期64-70,I0003,共8页
Wide-bandgap(WBG)perovskite solar cells(PSCs)play a fundamental role in perovskite-based tandem solar cells.However,the efficiency of WBG PSCs is limited by significant open-circuit voltage losses,which are primarily ... Wide-bandgap(WBG)perovskite solar cells(PSCs)play a fundamental role in perovskite-based tandem solar cells.However,the efficiency of WBG PSCs is limited by significant open-circuit voltage losses,which are primarily caused by surface defects.In this study,we present a novel method for modifying surfaces using the multifunctional S-ethylisothiourea hydrobromide(SEBr),which can passivate both Pb^(-1)and FA^(-1)terminated surfaces,Moreover,the SEBr upshifted the Fermi level at the perovskite interface,thereby promoting carrier collection.This proposed method was effective for both 1.67 and 1.77 eV WBG PSCs,achieving power conversion efficiencies(PCEs)of 22.47%and 19.90%,respectively,with V_(OC)values of 1.28 and 1.33 V,along with improved film and device stability.With this advancement,we were able to fabricate monolithic all-perovskite tandem solar cells with a champion PCE of 27.10%,This research offers valuable insights for passivating the surface trap states of WBG perovskite through rational multifunctional molecular engineering. 展开更多
关键词 Wide-bandgap perovskite Surface defect Multifunctional molecule All-perovskite tandem solar cells
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Role of self-assembled molecules’anchoring groups for surface defect passivation and dipole modulation in inverted perovskite solar cells
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作者 Xiaoyu Wang Muhammad Faizan +3 位作者 Kun Zhou Xinjiang Wang Yuhao Fu Lijun Zhang 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第10期108-115,共8页
Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high stability.Despite these advantages,their efficiency is currently limited b... Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high stability.Despite these advantages,their efficiency is currently limited by excessive defects and poor carrier transport at the perovskite-electrode interface,particularly at the buried interface between the perovskite and transparent conductive oxide(TCO).Recent efforts in the perovskite community have focused on designing novel self-assembled molecules(SAMs)to improve the quality of the buried interface.However,a notable gap remains in understanding the regulation of atomic-scale interfacial properties of SAMs between the perovskite and TCO interfaces.This understanding is crucial,particularly in terms of identifying chemically active anchoring groups.In this study,we used the star SAM([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)as the base structure to investigate the defect passivation effects of eight common anchoring groups at the perovskite-TCO interface.Our findings indicate that the phosphonic and boric acid groups exhibit notable advantages.These groups fulfill three key criteria:they provide the greatest potential for defect passivation,exhibit stable adsorption with defects,and exert significant regulatory effects on interface dipoles.Ionized anchoring groups exhibit enhanced passivation capabilities for defect energy levels due to their superior Lewis base properties,which effectively neutralize local charges near defects.Among various defect types,iodine vacancies are the easiest to passivate,whereas iodine-substituted lead defects are the most challenging to passivate.Our study provides comprehensive theoretical insights and inspiration for the design of anchoring groups in SAMs,contributing to the ongoing development of more efficient inverted perovskite solar cells. 展开更多
关键词 inverted perovskite solar cell defect passivation self-assembled molecule interface engineering first-principles calculation
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Large-scale interplant exchange of macromolecules between soybean and dodder under nutrient stresses
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作者 Jingxiong Zhang Shalan Li +9 位作者 Wenxing Li Zerui Feng Shuhan Zhang Xijie Zheng Yuxing Xu Guojing Shen Man Zhao Guoyan Cao Xuna Wu Jianqiang Wu 《Plant Diversity》 SCIE CAS CSCD 2024年第1期116-125,共10页
Parasitic plants and their hosts communicate through haustorial connections.Nutrient deficiency is a common stress for plants,yet little is known about whether and how host plants and parasites communicate during adap... Parasitic plants and their hosts communicate through haustorial connections.Nutrient deficiency is a common stress for plants,yet little is known about whether and how host plants and parasites communicate during adaptation to such nutrient stresses.In this study,we used transcriptomics and proteomics to analyze how soybean(Glycine max)and its parasitizing dodder(Cuscuta australis)respond to nitrate and phosphate deficiency(-N and-P).After-N and-P treatment,the soybean and dodder plants exhibited substantial changes of transcriptome and proteome,although soybean plants showed very few transcriptional responses to-P and dodder did not show any transcriptional changes to either-N or-P.Importantly,large-scale interplant transport of mRNAs and proteins was detected.Although the mobile mRNAs only comprised at most 0.2%of the transcriptomes,the foreign mobile proteins could reach 6.8%of the total proteins,suggesting that proteins may be the major forms of interplant communications.Furthermore,the interplant mobility of macromolecules was specifically affected by the nutrient regimes and the transport of these macromolecules was very likely independently regulated.This study provides new insight into the communication between host plants and parasites under stress conditions. 展开更多
关键词 CUSCUTA Mobile molecules Nutrient deficiency Host plant-parasitic plant interaction Interplant transport Systemic signaling
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Theoretical investigation of excited dipole bound states of alkali-containing diatomic anions
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作者 连艺 肖利丹 +2 位作者 边丽丽 徐海峰 闫冰 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第5期389-393,共5页
Information about electronic excited states of molecular anions plays an important role in investigating electron attachment and detachment processes.Here we present a high-level theoretical study of the electronic st... Information about electronic excited states of molecular anions plays an important role in investigating electron attachment and detachment processes.Here we present a high-level theoretical study of the electronic structures of 12 alkali-metal-containing diatomic anions MX-(MX = LiH,LiF,LiCl,NaF,NaCl,NaBr,RbCl,KCl,KBr,RbI,KI and CsI).The equation-of-motion electron-attachment coupled-cluster singles and doubles(EOM-EA-CCSD) method is used to calculate the electron binding energies(EBEs) of 10 electronic excited states of each of the 12 molecule anions.With addition of different s-/p-/d-type diffusion functions in the basis set,we have identified possible excited dipole bound states(DBSs) of each anion.With the investigation of EBEs on the 12 MXs with dipole moment(DM) up to 12.1 D,we evaluate the dependence of the number of anionic excited DBSs on molecular DM.The results indicate that there are at least two or three DBSs of anions with a molecular DM larger than 7 D and a molecule with DM > 10 D can sustain a π-DBS of the anion.Our study has some implications for the excited DBS electronic states of alkali-metal-containing diatomic molecules. 展开更多
关键词 ANIONS dipole bound states alkali-metal-containing diatomic molecules
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