Biointerphases最新文献_第9页

Polymer brushes for friction control: Contributions of molecular simulations. 摩擦控制用聚合物刷:分子模拟的贡献。

IF 2.1 4区医学

Biointerphases Pub Date : 2023-01-18 DOI: 10.1116/6.0002310

Mohamed A Abdelbar, James P Ewen, Daniele Dini, Stefano Angioletti-Uberti

{"title":"Polymer brushes for friction control: Contributions of molecular simulations.","authors":"Mohamed A Abdelbar, James P Ewen, Daniele Dini, Stefano Angioletti-Uberti","doi":"10.1116/6.0002310","DOIUrl":"https://doi.org/10.1116/6.0002310","url":null,"abstract":"When polymer chains are grafted to solid surfaces at sufficiently high density, they form brushes that can modify the surface properties. In particular, polymer brushes are increasingly being used to reduce friction in water-lubricated systems close to the very low levels found in natural systems, such as synovial joints. New types of polymer brush are continually being developed to improve with lower friction and adhesion, as well as higher load-bearing capacities. To complement experimental studies, molecular simulations are increasingly being used to help to understand how polymer brushes reduce friction. In this paper, we review how molecular simulations of polymer brush friction have progressed from very simple coarse-grained models toward more detailed models that can capture the effects of brush topology and chemistry as well as electrostatic interactions for polyelectrolyte brushes. We pay particular attention to studies that have attempted to match experimental friction data of polymer brush bilayers to results obtained using molecular simulations. We also critically look at the remaining challenges and key limitations to overcome and propose future modifications that could potentially improve agreement with experimental studies, thus enabling molecular simulations to be used predictively to modify the brush structure for optimal friction reduction.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2023-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10742461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

UV- and thermally-active small bi-functional gelator for creating gradient polymer network coatings. UV和热活性小双功能凝胶，用于创建梯度聚合物网络涂层。

IF 2.1 4区医学

Biointerphases Pub Date : 2023-01-10 DOI: 10.1116/6.0002268

Pandiyarajan Chinnayan Kannan, Jan Genzer

{"title":"UV- and thermally-active small bi-functional gelator for creating gradient polymer network coatings.","authors":"Pandiyarajan Chinnayan Kannan, Jan Genzer","doi":"10.1116/6.0002268","DOIUrl":"https://doi.org/10.1116/6.0002268","url":null,"abstract":"We present a versatile one-pot synthesis method for creating surface-anchored orthogonal gradient networks using a small bi-functional gelator, 4-azidosulfonylphenethyltrimethoxysilane (4-ASPTMS). The sulfonyl azide (SAz) group of 4-ASPTMS is UV (≤254 nm) and thermally active (≥100 °C) and, thus, enables us to vary the cross-link density in orthogonal directions by controlling the activation of SAz groups via UV and temperature means. We deposit a thin layer (∼200 nm) of a mixture comprising ∼90% precursor polymer and ∼10% 4-ASPTMS in a silicon wafer. Upon UV irradiation or annealing the layers, SAz releases nitrogen by forming singlet and triplet nitrenes that concurrently react with any C-H bond in the vicinity leading to sulfonamide cross-links. Condensation among trimethoxy groups in the bulk connects 4-ASPTMS units and completes the cross-linking. Simultaneously, 4-ASPTMS near the substrate reacts with surface-bound -OH motifs that anchor the cross-linked polymer chains to the substrate. We demonstrate the generation of orthogonal gradient network coatings exhibiting cross-link density (or stiffness) gradients in orthogonal directions using such a simple process.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2023-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9073334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phase separation in polymer-based biomimetic structures containing planar membranes. 含平面膜聚合物仿生结构的相分离。

IF 2.1 4区医学

Biointerphases Pub Date : 2022-12-27 DOI: 10.1116/6.0002078

Maryame Bina, Flavien Sciortino, Agata N Mahrir

{"title":"Phase separation in polymer-based biomimetic structures containing planar membranes.","authors":"Maryame Bina, Flavien Sciortino, Agata N Mahrir","doi":"10.1116/6.0002078","DOIUrl":"https://doi.org/10.1116/6.0002078","url":null,"abstract":"Phase separation in biological membranes is crucial for proper cellular functions, such as signaling and trafficking, as it mediates the interactions of condensates on membrane-bound organelles and transmembrane transport to targeted destination compartments. The separation of a lipid bilayer into phases and the formation of lipid rafts involve the restructuring of molecular localization, their immobilization, and local accumulation. By understanding the processes underlying the formation of lipid rafts in a cellular membrane, it is possible to reconstitute this phenomenon in synthetic biomimetic membranes, such as hybrids of lipids and polymers or membranes composed solely of polymers, which offer an increased physicochemical stability and unlimited possibilities of chemical modification and functionalization. In this article, we relate the main lipid bilayer phase transition phenomenon with respect to hybrid biomimetic membranes, composed of lipids mixed with polymers, and fully synthetic membranes. Following, we review the occurrence of phase separation in biomimetic hybrid membranes based on lipids and/or direct lipid analogs, amphiphilic block copolymers. We further exemplify the phase separation and the resulting properties and applications in planar membranes, free-standing and solid-supported. We briefly list methods leading to the formation of such biomimetic membranes and reflect on their improved overall stability and influence on the separation into different phases within the membranes. Due to the importance of phase separation and compartmentalization in cellular membranes, we are convinced that this compiled overview of this phenomenon will be helpful for any researcher in the biomimicry area.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2022-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10480150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations. 利用分子动力学模拟区分抗菌药物与革兰氏阴性和革兰氏阳性细菌细胞壁的相互作用。

IF 2.1 4区医学

Biointerphases Pub Date : 2022-12-07 DOI: 10.1116/6.0002087

Rakesh Vaiwala, Pradyumn Sharma, K Ganapathy Ayappa

{"title":"Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations.","authors":"Rakesh Vaiwala, Pradyumn Sharma, K Ganapathy Ayappa","doi":"10.1116/6.0002087","DOIUrl":"https://doi.org/10.1116/6.0002087","url":null,"abstract":"Developing molecular models to capture the complex physicochemical architecture of the bacterial cell wall and to study the interaction with antibacterial molecules is an important aspect of assessing and developing novel antimicrobial molecules. We carried out molecular dynamics simulations using an atomistic model of peptidoglycan to represent the architecture for Gram-positive S. aureus. The model is developed to capture various structural features of the Staphylococcal cell wall, such as the peptide orientation, area per disaccharide, glycan length distribution, cross-linking, and pore size. A comparison of the cell wall density and electrostatic potentials is made with a previously developed cell wall model of Gram-negative bacteria, E. coli, and properties for both single and multilayered structures of the Staphylococcal cell wall are studied. We investigated the interactions of the antimicrobial peptide melittin with peptidoglycan structures. The depth of melittin binding to peptidoglycan is more pronounced in E. coli than in S. aureus, and consequently, melittin has greater contacts with glycan units of E. coli. Contacts of melittin with the amino acids of peptidoglycan are comparable across both the strains, and the D-Ala residues, which are sites for transpeptidation, show enhanced interactions with melittin. A low energetic barrier is observed for translocation of a naturally occurring antimicrobial thymol with the four-layered peptidoglycan model. The molecular model developed for Gram-positive peptidoglycan allows us to compare and contrast the cell wall penetrating properties with Gram-negative strains and assess for the first time binding and translocation of antimicrobial molecules for Gram-positive cell walls.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2022-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10414228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modification of nitrile hydratase from Rhodococcus erythropolis CCM2595 by semirational design to enhance its substrate affinity. 半民族设计修饰红红球菌CCM2595腈水合酶以提高其底物亲和力。

IF 2.1 4区医学

Biointerphases Pub Date : 2022-12-01 DOI: 10.1116/6.0002061

Li Wang, Baocheng Cui, Keyuan Qiu, Jiao Huang, Changhai Liang

{"title":"Modification of nitrile hydratase from Rhodococcus erythropolis CCM2595 by semirational design to enhance its substrate affinity.","authors":"Li Wang, Baocheng Cui, Keyuan Qiu, Jiao Huang, Changhai Liang","doi":"10.1116/6.0002061","DOIUrl":"https://doi.org/10.1116/6.0002061","url":null,"abstract":"Nitrile hydratase (NHase, EC 4.2.1.84) is an excellent biocatalyst that catalyzes the hydration of nitrile substances to their corresponding amides. Given its catalytic specificity and eco-friendliness, NHase has extensive applications in the chemical, pharmaceutical, and cosmetic industries. To improve the affinity between Rhodococcus erythropolis CCM2595-derived NHase (ReNHase) and adiponitrile, this study used a semirational design to improve the efficiency of ReNHase in catalyzing the generation of 5-cyanopentanamide from adiponitrile. Enzyme kinetics analysis showed that Km of the mutant ReNHaseB:G196Y was 3.265 mmol l-1, which was lower than that of the wild-type NHase. The affinity of the mutant ReNHaseB:G196Y to adiponitrile was increased by 36.35%, and the efficiency of the mutant ReNHaseB:G196Y in catalyzing adiponitrile to 5-cyanopentamide was increased by 10.11%. The analysis of the enzyme-substrate interaction showed that the hydrogen bond length of the mutant ReNHaseB:G196Y to adiponitrile was shortened by 0.59 Å, which enhanced the interaction between the mutant and adiponitrile and, thereby, increased the substrate affinity. Similarly, the structural analysis showed that the amino acid flexibility near the mutation site of ReNHaseB:G196Y was increased, which enhanced the binding force between the enzyme and adiponitrile. Our work may provide a new theoretical basis for the modification of substrate affinity of NHase and increase the possibility of industrial applications of the enzyme.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10321183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Smart DNA nanogel coated polydopamine nanoparticle with high drug loading for chemo-photothermal therapy of cancer. 智能DNA纳米凝胶包被高载药量的聚多巴胺纳米颗粒用于癌症的化学光热治疗。

IF 2.1 4区医学

Biointerphases Pub Date : 2022-11-16 DOI: 10.1116/6.0002170

Shiyu Zang, Xunxun Deng, Jiamian Wang, Yanqiu Zhao, Shuo Wu

引用次数: 2

Anchoring silver nanoparticles on nanofibers by thermal bonding to construct functional surface. 用热键法将银纳米粒子固定在纳米纤维上，构建功能表面。

IF 2.1 4区医学

Biointerphases Pub Date : 2022-11-14 DOI: 10.1116/6.0002206

Bingjie Xu, Langfei Yang, Wei Pan, Ying Li, Zili Wang, Guoqiang Cai, Jindan Wu, Dongming Qi

{"title":"Anchoring silver nanoparticles on nanofibers by thermal bonding to construct functional surface.","authors":"Bingjie Xu, Langfei Yang, Wei Pan, Ying Li, Zili Wang, Guoqiang Cai, Jindan Wu, Dongming Qi","doi":"10.1116/6.0002206","DOIUrl":"https://doi.org/10.1116/6.0002206","url":null,"abstract":"Generally, the anchoring of inorganic nanoparticles onto the surface of fibers faces the problem of poor stability, which limits the wide application of nanoparticle functionalized fibers. Herein, nanofibers with shell-core structures were constructed by coaxial electrospinning of two polymers with different melting points (Tm). Polyglycolic acid (PGA, Tm = 225 °C) was employed as the core layer, while polycaprolactone (PCL, Tm = 60 °C) was used as the shell layer. Silver nanoparticles (AgNPs) were electrosprayed on the nanofibers and the shell layer (PCL) was heated and melted to bond the AgNPs, thus realizing a stable AgNP-composited nanofiber for the construction of antibacterial functional surface. By regulating the shell-core flow ratio and the condition for heat treatment, the appropriate thickness of the shell layer was obtained with a flow ratio of 3:1 (PCL:PGA). The optimal composite structure was constructed when the thermal bonding was taken under 80 °C for 5 min. Furthermore, it was found that the composite nanofibers prepared by thermal bonding had better hydrophilicity, mechanical property, and AgNPs bonding stability, and their antibacterial rate against Staphylococcus aureus (S. aureus) reached over 97%. Overall, a facile and universal method for the preparation of nanoparticle-anchored nanofibers was established in this study. The robust nanoparticle-composited nanofibers are promising for applications in optoelectronic devices, electrode materials, and so on.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10452050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fine-tuned magnetic nanobubbles for magnetic hyperthermia treatment of glioma cells. 用于神经胶质瘤细胞磁热疗的微调磁纳米泡。

IF 2.1 4区医学

Biointerphases Pub Date : 2022-11-11 DOI: 10.1116/6.0002110

Bin Li, Yuexia Han, Yang Liu, Fang Yang

{"title":"Fine-tuned magnetic nanobubbles for magnetic hyperthermia treatment of glioma cells.","authors":"Bin Li, Yuexia Han, Yang Liu, Fang Yang","doi":"10.1116/6.0002110","DOIUrl":"https://doi.org/10.1116/6.0002110","url":null,"abstract":"Magnetic nanoparticle (MNP) induced magnetic hyperthermia has been demonstrated as a promising technique for the treatment of brain tumor. However, lower heating efficiency resulting from low intratumoral accumulation of magnetic nanomaterials is still one of the significant limitations for their thermotherapeutic efficacy. In this study, we have designed a nanobubble structure with MNPs decorated on the shell, which leads to the improvement of magnetocaloric performance under an alternating magnetic field. First, the phospholipid coupled with MNPs as the shell to be self-assembled magnetic nanobubbles (MNBs) was fabricated by a temperature-regulated repeated compression self-assembly approach. Then, the optimal magnetic heating concentration, electric current parameters for producing the magnetic field, and the number of magnetic heating times were investigated for tuning the better magnetoenergy conversion. Finally, the well-defined geometrical orientation of MNPs on the nanobubble structure enhanced hypothermia effect was investigated. The results demonstrate that the MNBs could promote the endocytosis of magnetic nanoparticles by glioma cells, resulting in better therapeutic effect. Therefore, the controlled assembly of MNPs into well-defined bubble structures could serve as a new hyperthermia agent for tumor therapy.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2022-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40683449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Shape-dependent gold nanoparticle interactions with a model cell membrane. 形状依赖的金纳米粒子与模型细胞膜的相互作用。

IF 1.6 4区医学

Biointerphases Pub Date : 2022-11-08 DOI: 10.1116/6.0002183

Thaddeus W Golbek, Bryan J Harper, Stacey L Harper, Joe E Baio

{"title":"Shape-dependent gold nanoparticle interactions with a model cell membrane.","authors":"Thaddeus W Golbek, Bryan J Harper, Stacey L Harper, Joe E Baio","doi":"10.1116/6.0002183","DOIUrl":"10.1116/6.0002183","url":null,"abstract":"Customizable gold nanoparticle platforms are motivating innovations in drug discovery with massive therapeutic potential due to their biocompatibility, stability, and imaging capabilities. Further development requires the understanding of how discrete differences in shape, charge, or surface chemistry affect the drug delivery process of the nanoparticle. The nanoparticle shape can have a significant impact on nanoparticle function as this can, for example, drastically change the surface area available for modifications, such as surface ligand density. In order to investigate the effects of nanoparticle shape on the structure of cell membranes, we directly probed nanoparticle-lipid interactions with an interface sensitive technique termed sum frequency generation (SFG) vibrational spectroscopy. Both gold nanostars and gold nanospheres with positively charged ligands were allowed to interact with a model cell membrane and changes in the membrane structure were directly observed by specific SFG vibrational modes related to molecular bonds within the lipids. The SFG results demonstrate that the +Au nanostars both penetrated and impacted the ordering of the lipids that made up the membrane, while very little structural changes to the model membrane were observed by SFG for the +Au nanospheres interacting with the model membrane. This suggests that the +Au nanostars, compared to the +Au nanospheres, are more disruptive to a cell membrane. Our findings indicate the importance of shape in nanomaterial design and provide strong evidence that shape does play a role in defining nanomaterial-biological interactions.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2022-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9646251/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40672997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Emerging biomaterials and technologies to control stem cell fate and patterning in engineered 3D tissues and organoids. 新兴生物材料和技术控制干细胞命运和模式在工程三维组织和类器官。

IF 2.1 4区医学

Biointerphases Pub Date : 2022-11-07 DOI: 10.1116/6.0002034

Mojtaba Farahani, James Carthew, Sanchyan Bhowmik, Chloe Shard, Ana Nunez-Nescolarde, Guillermo A Gomez, Victor J Cadarso, Alexander N Combes, Jessica E Frith

{"title":"Emerging biomaterials and technologies to control stem cell fate and patterning in engineered 3D tissues and organoids.","authors":"Mojtaba Farahani, James Carthew, Sanchyan Bhowmik, Chloe Shard, Ana Nunez-Nescolarde, Guillermo A Gomez, Victor J Cadarso, Alexander N Combes, Jessica E Frith","doi":"10.1116/6.0002034","DOIUrl":"https://doi.org/10.1116/6.0002034","url":null,"abstract":"The ability to create complex three-dimensional cellular models that can effectively replicate the structure and function of human organs and tissues in vitro has the potential to revolutionize medicine. Such models could facilitate the interrogation of developmental and disease processes underpinning fundamental discovery science, vastly accelerate drug development and screening, or even be used to create tissues for implantation into the body. Realization of this potential, however, requires the recreation of complex biochemical, biophysical, and cellular patterns of 3D tissues and remains a key challenge in the field. Recent advances are being driven by improved knowledge of tissue morphogenesis and architecture and technological developments in bioengineering and materials science that can create the multidimensional and dynamic systems required to produce complex tissue microenvironments. In this article, we discuss challenges for in vitro models of tissues and organs and summarize the current state-of-the art in biomaterials and bioengineered systems that aim to address these challenges. This includes both top-down technologies, such as 3D photopatterning, magnetism, acoustic forces, and cell origami, as well as bottom-up patterning using 3D bioprinting, microfluidics, cell sheet technology, or composite scaffolds. We illustrate the varying ways that these can be applied to suit the needs of different tissues and applications by focussing on specific examples of patterning the bone-tendon interface, kidney organoids, and brain cancer models. Finally, we discuss the challenges and future prospects in applying materials science and bioengineering to develop high-quality 3D tissue structures for in vitro studies.","PeriodicalId":9053,"journal":{"name":"Biointerphases","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2022-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40460222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1