Journal of Materials Chemistry B最新文献

{"title":"Unravelling molecular mechanobiology using DNA-based fluorogenic tension sensors","authors":"Kaushik Pal","doi":"10.1039/D4TB01858C","DOIUrl":"10.1039/D4TB01858C","url":null,"abstract":"<p >Investigations of the biological system have revealed many principles that govern regular life processes. Recently, the analysis of tiny mechanical forces associated with many biological processes revealed their significance in understanding biological functions. Consequently, this piqued the interest of researchers, and a series of technologies have been developed to understand biomechanical cues at the molecular level. Notable techniques include single-molecule force spectroscopy, traction force microscopy, and molecular tension sensors. Well-defined double-stranded DNA structures could possess programmable mechanical characteristics, and hence, they have become one of the central molecules in molecular tension sensor technology. With the advancement of DNA technology, DNA or nucleic acid-based robust tension sensors offer the possibility of understanding mechanobiology in the bulk to single-molecule level range with desired spatiotemporal resolution. This review presents a comprehensive account of molecular tension sensors with a special emphasis on DNA-based fluorogenic tension sensors. Along with a detailed discussion on irreversible and reversible DNA-based tension sensors and their application in super-resolution microscopy, a discussion on biomolecules associated with cellular mechanotransduction and key findings in the field are included. This review ends with an elaborate discussion on the current challenges and future prospects of molecular tension sensors.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 1","pages":" 37-53"},"PeriodicalIF":6.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142678093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanomaterials and methods for cancer therapy: 2D materials, biomolecules, and molecular dynamics simulations","authors":"Welela M. Kedir, Lunna Li, Yaw Sing Tan, Natasa Bajalovic and Desmond K. Loke","doi":"10.1039/D4TB01667J","DOIUrl":"10.1039/D4TB01667J","url":null,"abstract":"<p >This review explores the potential of biomolecule-based nanomaterials, <em>i.e.</em>, protein, peptide, nucleic acid, and polysaccharide-based nanomaterials, in cancer nanomedicine. It highlights the wide range of design possibilities for creating multifunctional nanomedicines using these biomolecule-based nanomaterials. This review also analyzes the primary obstacles in cancer nanomedicine that can be resolved through the usage of nanomaterials based on biomolecules. It also examines the unique <em>in vivo</em> characteristics, programmability, and biological functionalities of these biomolecule-based nanomaterials. This summary outlines the most recent advancements in the development of two-dimensional semiconductor-based nanomaterials for cancer theranostic purposes. It focuses on the latest developments in molecular simulations and modelling to provide a clear understanding of important uses, techniques, and concepts of nanomaterials in drug delivery and synthesis processes. Finally, the review addresses the challenges in molecular simulations, and generating, analyzing, and developing biomolecule-based and two-dimensional semiconductor-based nanomaterials, and highlights the barriers that must be overcome to facilitate their application in clinical settings.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 47","pages":" 12141-12173"},"PeriodicalIF":6.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142583568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Biomaterials enhancing localized cancer therapy activated anti-tumor immunity: a review","authors":"Jipeng Yao, Zhencun Cui, Feifei Zhang, Haidong Li and Longlong Tian","doi":"10.1039/D4TB01995D","DOIUrl":"10.1039/D4TB01995D","url":null,"abstract":"<p >Localized cancer therapies such as radiotherapy, phototherapy, and chemotherapy are precise cancer treatment strategies aimed at minimizing systemic side effects. However, cancer metastasis remains the primary cause of mortality among cancer patients in clinical settings, and localized cancer treatments have limited efficacy against metastatic cancer. Therefore, researchers are exploring strategies that combine localized therapy with immunotherapy to activate robust anti-tumor immune responses, thereby eradicating metastatic cancer. Biomaterials, as novel materials, exhibit great potential in biomedical applications and have achieved great progress in clinic translation. This review introduces biomaterials and their applications in research focused on enhancing localized cancer treatment activated anti-tumor immunity. Additionally, the current challenges and future directions of biomaterials are also discussed, providing insights and references for related research.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 1","pages":" 117-136"},"PeriodicalIF":6.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142633222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning-assisted pattern recognition and imaging of multiplexed cancer cells via a porphyrin-embedded dendrimer array†","authors":"Jiabao Hu, Weiwei Ni, Mengting Han, Yunzhen Zhan, Fei Li, Hui Huang and Jinsong Han","doi":"10.1039/D4TB01861C","DOIUrl":"10.1039/D4TB01861C","url":null,"abstract":"<p >Early cancer detection plays a vital role in improving the survival rate of cancer patients, underscoring the importance of developing cancer detection methods. However, it is a great challenge to achieve simple, rapid, and accurate methods for simultaneously discerning various cancers. Herein we developed a 5-element porphyrin-embedded dendrimer-based sensor array, targeting the parallel discrimination of multiple cancers. The porphyrin-embedded dendrimers were modified with various functional groups to generate differentiated interactions with diverse cancer cells, which has been validated by fluorescence responses and laser confocal microscopy imaging. The dual-channel, five-element array, featuring ten signal outputs, achieved 100% accuracy in distinguishing between one human normal cell and six human cancerous cells, as well as in differentiating among mixed cells. Moreover, the screen 6-channel array can accurately distinguish 9 cells from mice and humans in minutes through optimization by multiple machine learning algorithms, including two normal cells and 7 cancerous cells with only 1000 cells, highlighting the significant potential of a porphyrin-embedded dendrimer-based parallel discriminating platform in early cancer diagnosis.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 1","pages":" 207-217"},"PeriodicalIF":6.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Illuminating cisplatin-induced ferroptosis in non-small-cell lung cancer with biothiol-activatable fluorescent/photoacoustic bimodal probes†","authors":"Li Xu, Hongwen Liu, Yi Kong, Lingyun Li, Jia Li, Kang Li, Shuzhi Liang and Bolin Chen","doi":"10.1039/D4TB01656D","DOIUrl":"10.1039/D4TB01656D","url":null,"abstract":"<p >Ferroptosis modulation represents a pioneering therapeutic approach for non-small-cell lung cancer (NSCLC), where precise monitoring and regulation of ferroptosis levels are pivotal for achieving optimal therapeutic outcomes. Cisplatin (Cis), a widely used chemotherapy drug for NSCLC, demonstrates remarkable therapeutic efficacy, potentially through its ability to induce ferroptosis and synergize with other treatments. However, <em>in vivo</em> studies of ferroptosis face challenges due to the scarcity of validated biomarkers and the absence of reliable tools for real-time visualization. Biothiols emerge as suitable biomarkers for ferroptosis, as their concentrations decrease significantly during this process. To address these challenges, fluorescence/photoacoustic (PA) bimodal imaging offers a promising solution by providing more accurate <em>in vivo</em> information on ferroptosis. Therefore, the development of methods to detect biothiols using fluorescence/PA bimodal imaging is highly desirable for visualizing ferroptosis in NSCLC. In this study, we designed and constructed two activatable near-infrared (NIR) fluorescent/PA bimodal imaging probes specifically for visualizing ferroptosis by monitoring the fluctuations in biothiol levels. These probes exhibited excellent bimodal response performance in solution, cells, and tumors. Furthermore, they were successfully applied for real-time monitoring of biothiol changes during the ferroptosis process in NSCLC cells and tumors. Importantly, our findings revealed that the combined use of erastin and cisplatin exacerbates the consumption of biothiols, suggesting an enhancement of ferroptosis in NSCLC. This work not only provides powerful tools for monitoring <em>in vivo</em> ferroptosis but also facilitates the study of ferroptosis mechanisms and holds the potential to further advance the treatment of NSCLC.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 1","pages":" 239-248"},"PeriodicalIF":6.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142634711","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electronic band structure modulation for sonodynamic therapy","authors":"Yafang Shi, Chengzhilin Li, Linquan Li, Qingbin He, Qingyi Zhu, Ziang Xu, Yanzi Liu, Nianlei Zhang, Meng Zhang, Jianwei Jiao and Runxiao Zheng","doi":"10.1039/D4TB01679C","DOIUrl":"10.1039/D4TB01679C","url":null,"abstract":"<p >Sonodynamic therapy (SDT) is a burgeoning and newfangled therapy modality with great application potential. Sonosensitizers are essential factors used to ensure the effectiveness of SDT. For the past few years, a lot of scientists have discovered many valid ways to refine and improve the performance of SDT. Among these methods, modulating the electronic band structure of sonosensitizers is one of the eminent measures to improve SDT, but relevant research studies on this are still unsatisfactory for actual transformation. Herein, this review provides a brief and comprehensive introduction of common ways to modulate electronic band structure, such as forming defects, doping, piezoelectric effect and heterostructure. Then, some nanomaterials with excellent properties that can be used as a sonosensitizer to enhance the SDT effect by modulating electronic band structure are overviewed, such as Ti-based, Zn-based, Bi-based, noble metal-based and MOF-based nanomaterials. At the same time, this paper also discusses the problems and challenges that may be encountered in the future application progress of SDT. In conclusion, the strategy of enhancing SDT through modulating electronic band structure will promote the rapid development of nanomedicine and provide a great research direction for SDT.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 48","pages":" 12470-12488"},"PeriodicalIF":6.1,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142633706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of the alkyl chain length and photocatalytic antibacterial performance of cation g-C3N4†","authors":"Junling Leng, Xuanwei Liu, Yin Xu, Shi-En Zhu, Yuefei Zhang, Zhongbing Tan, Xiaofei Yang, Jia-En Jin, Yufeng Shi, Hongying Fan, Yi Yang, Hang Yao, Yu Zhang, Hui Chong and Chengyin Wang","doi":"10.1039/D4TB01118J","DOIUrl":"10.1039/D4TB01118J","url":null,"abstract":"<p >Several cation graphite carbon nitrides (<strong>g-C<small>₃</small>N<small>₄</small>-(CH<small>₂</small>)<small>_<em>n</em></small>-ImI<small>⁺</small></strong>) were synthesized by chemically attaching imidazolium appended alkane chains with different lengths (<em>n</em> = 2, 4, 8, 12 and 16) to <strong>g-C<small>₃</small>N<small>₄</small></strong>. The introduction of a cation segment potentially improved the interaction between the carbon material and Gram negative (MDR-<em>A</em>. <em>baumannii</em>) and Gram positive (<em>S. aureus</em>) bacteria as characterized by <em>ζ</em> potential measurement. Short alkane chain (carbon numbers of 2, 4 and 8) carbon materials displayed relatively stronger bacterial interactions compared to long alkane chain bearing ones (<em>n</em> = 12 and 16). In addition, short chain carbon materials (<strong>g-C<small>₃</small>N<small>₄</small>-(CH<small>₂</small>)<small>₄</small>-ImI<small>⁺</small></strong>) displayed relatively higher photocatalytic reactive oxygen species (<small>¹</small>O<small>₂</small>, ˙O<small>₂</small><small>⁻</small> and ˙OH) production efficiency. Bacterial interaction and ROS production efficiency synergistically contribute to photocatalytic antibacterial performance. The current data revealed that <strong>g-C<small>₃</small>N<small>₄</small></strong> with short flexible cations attached exhibited bacterial interaction and ROS production. Among these synthesized materials, <strong>g-C<small>₃</small>N<small>₄</small>-(CH<small>₂</small>)<small>₄</small>-ImI<small>⁺</small></strong> exhibited the most pronounced photocatalytic antibacterial efficiency (&gt;99%).</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 1","pages":" 264-273"},"PeriodicalIF":6.1,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142633833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanocrystalline alloy-mediated delivery of mosaic epitope peptides for universal influenza vaccine†","authors":"Hongyu Wang, Han Fu, Liyan Zhai, Jiaqing Le, Bohan Guo, Yuyang Zhou, Chenlin Ji, Dapeng Li and Yue Zhang","doi":"10.1039/D4TB00742E","DOIUrl":"10.1039/D4TB00742E","url":null,"abstract":"<p >Seasonal influenza infection poses great threat to public health systems. The flu vaccine remains the most effective method to reduce transmission and mortality. However, its effectiveness is limited due to the challenges in protecting against all influenza variants, as well as the weaker immune response observed in the adult population. Here, combining machine learning, synchrotron small angle X-ray scattering, we design an adjuvanted influenza vaccine composing mosaic epitope peptides selected from the hemagglutinin proteins of influenza A and B virus. These epitopes share similar physiochemical properties cognate to host antimicrobial peptides (AMPs) allowing them to form supramolecular assembly with poly(I:C), a synthetic toll-like receptor 3 (TLR3) agonist, through electrostatic interaction. The poly(I:C) is arranged into columnar lattice with the average inter-poly(I:C) distance commensurate with TLR3 and thereby capable of inducing multivalent TLR3 binding and hyperactivating the downstream inflammatory pathway. Interestingly, multiple AMP-like epitopes (Ampitopes) with compatible lattice parameter can co-crystalize into the same lattice to form 'alloy'-like composite with better poly(I:C) arrangement which allows the co-delivery of mosaic Ampitopes. The designed Ampitope-poly(I:C) nanocrystalline (and alloy) successfully activates interferon regulatory factor 3 (IRF3)-mediated pathway in antigen presenting cells. The intramuscular delivery of the nanocrystalline to the mice strongly trigger IL-6 and IFN-α release, which well-mimics the cytokines release pattern in influenza infected patients. After the third boost, the antigen-specific T cell response is 55 times higher compared to the free Ampitopes treatment group. Together, this vaccine offers a versatile way of eliciting strong and broad anti-flu protection.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 48","pages":" 12530-12539"},"PeriodicalIF":6.1,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142570876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-scale in silico analysis of the phase separation behavior of FUS mutants†","authors":"Kalindu S. Fernando and Ying Chau","doi":"10.1039/D4TB01512F","DOIUrl":"10.1039/D4TB01512F","url":null,"abstract":"<p >Fused in sarcoma (FUS) is an intrinsically disordered RNA-binding protein that helps to regulate transcription and RNA transport while reversibly assembling into membraneless organelles (MLOs). Some mutations of FUS can promote irreversible aggregation, contributing to neurodegenerative diseases. We previously reported a multi-scale computational framework combining a series of molecular dynamics simulations (MD) followed by lattice Monte Carlo (MC) simulations to describe the tendency and dynamics of the assembly and disassembly of intrinsically disordered proteins (IDPs) using wild-type (WT)-FUS as an illustrative example. In this study, we utilized our computational model to simulate three FUS mutants widely experimented with glycine point mutation G156E, arginine point mutation R244C, and deletion of the C-terminal nuclear localization signal (ΔNLS). MD simulation results conveyed that G156E has improved sticker contact probability compared to WT-FUS, while R244C has slightly lower contact probability, which is also complemented by change of net interactions according to the molecular mechanics Poisson Boltzmann surface area (MMPBSA) method. The MC simulation results revealed that G156E has a higher aggregation propensity than the WT-FUS, while ΔNLS has more liquid-like assemblies. R244C demonstrated higher dynamics at the beginning, while over the evolution of MC simulations, it tends to aggregate compared to WT-FUS. In addition, the G156E mutant has more stable protein aggregates, lacking the rapid dynamics shown in all other scenarios. From the peak height of radial distribution functions (RDFs) of the assemblies, the phase separation propensity in ascending order is ΔNLS &lt; FUS-WT &lt; R244C &lt; G156E. Moreover, interpreting the dynamic assembly propensity (DAP) parameter over time, the fluidity of the assemblies in ascending order is G156E &lt; FUS-WT &lt; R244C &lt; ΔNLS. The results obtained from this study support that the computational model is able to predict the effect of mutation down to single amino acid substitution on the phase separation behavior of FUS. This efficient <em>in silico</em> method can be generalized to investigate the phase separation propensity of other IDPs and their mutants.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 48","pages":" 12608-12617"},"PeriodicalIF":6.1,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142570873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Navigating predictions at nanoscale: a comprehensive study of regression models in magnetic nanoparticle synthesis†","authors":"Lukas Glänzer, Lennart Göpfert, Thomas Schmitz-Rode and Ioana Slabu","doi":"10.1039/D4TB02052A","DOIUrl":"10.1039/D4TB02052A","url":null,"abstract":"<p >The applicability of magnetic nanoparticles (MNP) highly depends on their physical properties, especially their size. Synthesizing MNP with a specific size is challenging due to the large number of interdepend parameters during the synthesis that control their properties. In general, synthesis control cannot be described by white box approaches (empirical, simulation or physics based). To handle synthesis control, this study presents machine learning based approaches for predicting the size of MNP during their synthesis. A dataset comprising 17 synthesis parameters and the corresponding MNP sizes were analyzed. Eight regression algorithms (ridge, lasso, elastic net, decision trees, random forest, gradient boosting, support vectors and multilayer perceptron) were evaluated. The model performance was assessed <em>via</em> root mean squared error (RMSE), mean absolute error (MAE), mean absolute percentage error (MAPE) and standard deviation of residuals. Support vector regression (SVR) exhibited the lowest RMSE values of 3.44 and a standard deviation for the residuals of 5.13. SVR demonstrated a favorable balance between accuracy and consistency among these methods. Qualitative factors like adaptability to online learning and robustness against outliers were additionally considered. Altogether, SVR emerged as the most suitable approach to predict MNP sizes due to its ability to continuously learn from new data and resilience to noise, making it well-suited for real-time applications with varying data quality. In this way, a feasible optimization framework for automated and self-regulated MNP synthesis was implemented. Key challenges included the limited dataset size, potential violations of modeling assumptions, and sensitivity to hyperparameters. Strategies like data regularization, correlation analysis, and grid search for model hyperparameters were employed to mitigate these issues.</p>","PeriodicalId":83,"journal":{"name":"Journal of Materials Chemistry B","volume":" 48","pages":" 12652-12664"},"PeriodicalIF":6.1,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11563307/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142583587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}