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Search for "protein" in Full Text gives 362 result(s) in Beilstein Journal of Nanotechnology. Showing first 200.

Antibody-conjugated nanoparticles for target-specific drug delivery of chemotherapeutics

  • Mamta Kumari,
  • Amitabha Acharya and
  • Praveen Thaggikuppe Krishnamurthy

Beilstein J. Nanotechnol. 2023, 14, 912–926, doi:10.3762/bjnano.14.75

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  • chemotherapeutic agent in a controlled manner. Appropriately designed and synthesized ACNPs are essential to fully realize their therapeutic benefits. In blood stream, ACNPs instantly interact with biological molecules, and a protein corona is formed. Protein corona formation triggers an immune response and
  • affects the targeting ability of the nanoformulation. In this review, we provide recent findings to highlight several antibody conjugation methods such as adsorption, covalent conjugation, and biotin–avidin interaction. This review also provides an overview of the many effects of the protein corona and
  • fragment antigen-binding (Fab) region of mAbs are chemically conjugated to NP surfaces to recognize protein targets that are overexpressed on the surface of tumor cells. Conjugation of mAbs to NP surfaces improves targeting capacity, cellular uptake, and intracellular stability [12]. The mAb-functionalized
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Published 04 Sep 2023

Biomimetics on the micro- and nanoscale – The 25th anniversary of the lotus effect

  • Matthias Mail,
  • Kerstin Koch,
  • Thomas Speck,
  • William M. Megill and
  • Stanislav N. Gorb

Beilstein J. Nanotechnol. 2023, 14, 850–856, doi:10.3762/bjnano.14.69

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  • paper “Bioselectivity of silk protein-based materials and their bio-inspired applications” the importance of tailoring bioselective, biologically active, and multifunctional materials for biomedical applications in biomaterial research. The review was focused on two major topics, the first one being
  • biological processes and surface interactions involved in the bioselective adhesion of mammalian cells. The second topic of the review was on repellence of microbes on protein-based material surfaces, highlighting the importance of materials made of recombinant spider silk proteins. Biomaterials that
  • the same time selectively enhance regeneration in host tissues. The authors point out that in this context, protein-based materials and especially silk materials are interesting candidates due to their natural origin, biological activity, and structural properties. These exciting recombinant
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Editorial
Published 03 Aug 2023

Nanostructured lipid carriers containing benznidazole: physicochemical, biopharmaceutical and cellular in vitro studies

  • Giuliana Muraca,
  • María Esperanza Ruiz,
  • Rocío C. Gambaro,
  • Sebastián Scioli-Montoto,
  • María Laura Sbaraglini,
  • Gisel Padula,
  • José Sebastián Cisneros,
  • Cecilia Yamil Chain,
  • Vera A. Álvarez,
  • Cristián Huck-Iriart,
  • Guillermo R. Castro,
  • María Belén Piñero,
  • Matias Ildebrando Marchetto,
  • Catalina Alba Soto,
  • Germán A. Islan and
  • Alan Talevi

Beilstein J. Nanotechnol. 2023, 14, 804–818, doi:10.3762/bjnano.14.66

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  • intrinsic toxicity of our nanoscale vehicle on T. cruzi may be linked to a modification of glycosylphosphatidylinositols (GPIs). Glycosylphosphatidylinositols are the main anchor complexes used by protozoans to bind to cell surface proteins. It covalently attaches to the C terminus of a protein connecting
  • it to the outer leaflet of the lipid bilayer [49]. Trypanosoma brucei predominant membrane protein variant surface glycoprotein (VSG), which is involved in parasite host immune system evasion, is anchored by a GPI that requires myristate for its synthesis. Analogs of myristate have shown toxicity
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Published 28 Jul 2023

Suspension feeding in Copepoda (Crustacea) – a numerical model of setae acting in concert

  • Alexander E. Filippov,
  • Wencke Krings and
  • Stanislav N. Gorb

Beilstein J. Nanotechnol. 2023, 14, 603–615, doi:10.3762/bjnano.14.50

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  • cuticle’s mechanical properties revealed that the setae on maxillae 1 (long setae) and 2 (short setae) possess very soft bases full of the elastic protein resilin [55][56][57]. Additionally, the tips of the short setae on maxilla 2 exhibited a blue autofluorescence signal, which strongly indicated that
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Published 17 May 2023

The steep road to nonviral nanomedicines: Frequent challenges and culprits in designing nanoparticles for gene therapy

  • Yao Yao,
  • Yeongun Ko,
  • Grant Grasman,
  • Jeffery E. Raymond and
  • Joerg Lahann

Beilstein J. Nanotechnol. 2023, 14, 351–361, doi:10.3762/bjnano.14.30

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  • are assessed with the use of fluorescent-labeling carriers and the expression of fluorescent proteins (e.g., enhanced green fluorescent protein). Both of which are typically assessed by widefield fluorescent microscopy/confocal microscopy (referred to as “imaging”) and/or flow cytometry (Table 1
  • pharmacological inhibitors. However, genetic alterations may also result in changes that share protein components or lead to compensatory mechanisms in the cell [37]. Despite their intrinsic specificity, validation still remains critical to avoid affecting multiple pathways. Hence, the inclusion of appropriate
  • polymeric (e.g., core–shell micelles), oligomeric (e.g., lipid nanoparticles), or biomacromolecular (e.g., protein nanoparticles) components complicates matters only further by generating a higher-than-normal background through non-specific interactions with the assay media. In addition, a significant bias
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Published 17 Mar 2023

Polymer nanoparticles from low-energy nanoemulsions for biomedical applications

  • Santiago Grijalvo and
  • Carlos Rodriguez-Abreu

Beilstein J. Nanotechnol. 2023, 14, 339–350, doi:10.3762/bjnano.14.29

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  •  5) with viabilities higher than 70% for HeLa cells are promising candidates for gene therapy (e.g., gene vaccines). Protein binding on PLGA nanoparticles prepared from nanoemulsions has also been studied [62]. After incubation with human serum, afamin was one of the specific proteins bound to PLGA
  • encapsulated in PLGA nanoparticles derived from PIC nanoemulsions [63]. These antioxidant-loaded nanoparticles feature hydrodynamic sizes between 71 and 160 nm and encapsulation efficiencies higher than 64%. The colloidal stability of the nanoparticle dispersions was not significantly affected by protein
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Published 13 Mar 2023

Overview of mechanism and consequences of endothelial leakiness caused by metal and polymeric nanoparticles

  • Magdalena Lasak and
  • Karol Ciepluch

Beilstein J. Nanotechnol. 2023, 14, 329–338, doi:10.3762/bjnano.14.28

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  • nutrient molecules to NPs could change the toxicity of NPs (NP protein corona), and the physiological conditions, such as blood flow and physiological stretch, will also play a role [37][38][39]. NanoEL mechanism Adherens junctions between endothelial cells are maintained by a complex set of proteins
  • physicochemical properties of NPs, one must also understand the mechanism behind NanoEL. The crucial molecular target of NPs was confirmed to be VE-cad, a protein essential for maintaining the structural and functional integrity of the endothelium [40]. As reported by Setyawati et al., TiO2 NPs disrupt homophilic
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Published 08 Mar 2023

Biocatalytic synthesis and ordered self-assembly of silica nanoparticles via a silica-binding peptide

  • Mustafa Gungormus

Beilstein J. Nanotechnol. 2023, 14, 280–290, doi:10.3762/bjnano.14.25

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  • stabilizes the favorable orientation of histidine. Then a nucleophilic attack by serine on the Si–O bond of the precursor molecule results in a Ser–O–Si(OR)3 transitory complex. The hydrolysis is completed by the addition of water, separating the protein and the hydrolyzed precursor molecule, and the release
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Published 28 Feb 2023

Recent progress in cancer cell membrane-based nanoparticles for biomedical applications

  • Qixiong Lin,
  • Yueyou Peng,
  • Yanyan Wen,
  • Xiaoqiong Li,
  • Donglian Du,
  • Weibin Dai,
  • Wei Tian and
  • Yanfeng Meng

Beilstein J. Nanotechnol. 2023, 14, 262–279, doi:10.3762/bjnano.14.24

Graphical Abstract
  • system (RES) or the mononuclear phagocytosis system (MPS) [4]. The subsequent rapid clearance from blood circulation by the liver and kidneys results in insufficient drug accumulation in the target tissue [5]. In addition, NPs can interact with proteins to form a protein corona, which affects the
  • intended function of the NPs, resulting in changes of biological behavior and loss of function [6][7]. Moreover, the protein corona can accelerate RES/MPS uptake and interfere with the targeting ability of NPs [8]. The biomimetic technique of cell membrane coating, which employs naturally cell-derived
  • interact with other cells. The biological effects of nanoformulations can be enhanced through the effective utilization of specific protein groups. A schematic diagram of surface proteins and functions of the cancer cell membrane is shown in Figure 2. 2.1 Homologous targeting Cancer cells usually exhibit
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Published 27 Feb 2023

Nanotechnology – a robust tool for fighting the challenges of drug resistance in non-small cell lung cancer

  • Filip Gorachinov,
  • Fatima Mraiche,
  • Diala Alhaj Moustafa,
  • Ola Hishari,
  • Yomna Ismail,
  • Jensa Joseph,
  • Maja Simonoska Crcarevska,
  • Marija Glavas Dodov,
  • Nikola Geskovski and
  • Katerina Goracinova

Beilstein J. Nanotechnol. 2023, 14, 240–261, doi:10.3762/bjnano.14.23

Graphical Abstract
  • . Along with the well-established EGFR, Kirsten rat sarcoma viral oncogene homolog (KRAS) oncogene mutations and concurrent anaplastic lymphoma kinase (ALK) and proto-oncogene tyrosine-protein kinase (ROS1) rearrangements, other gene mutations in the context of NSCLC tumorigenesis biomarkers and targets
  • for new clinical therapies include fusions of echinoderm microtubule-associated protein-like 4 and anaplastic lymphoma kinase (EML4-ALK) and mutations of human epidermal growth factor receptor 2 (HER2), phosphatidylinositol 3-kinase (PIK3CA), protein kinase B (AKT), v-raf murine sarcoma viral oncogene
  • homolog B1 (BRAF), mitogen-activated protein kinase 1 (MAP2K1), and mesenchymal-epithelial transition factor (MET). An improved understanding of EGFR driver mutations leads the way to the establishment of personalized clinical therapy based on genomic and proteomic testing, which is becoming a standard of
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Published 22 Feb 2023

Cyclodextrins as eminent constituents in nanoarchitectonics for drug delivery systems

  • Makoto Komiyama

Beilstein J. Nanotechnol. 2023, 14, 218–232, doi:10.3762/bjnano.14.21

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  • siRNA from the endosome. In another example, a supramolecular nanoparticle was prepared from a linear CyD-based polymer, hydrophilic polyethylene glycol bearing an adamantane at the end, and siRNA [64]. By attaching a human transferrin protein, this composite was steered to target cancer cells to
  • transferrin (tumor-targeting protein) which bears poly(ʟ-lysine), mitochondrion-targeting peptide, poly(ethylene glycol), and arylazopyrazole (trans isomer) [89]. Under irradiation with NIR light (808 nm), the photothermal effect disrupted mitochondrial function, leading to inhibition of tumor growth. 6 Some
  • also to increase the solubility of the protein through the binding to bulky and apolar side chains. The antiviral activity of modified CyDs towards various viruses has been previously reported as well [108]. 6.2 Molecular imprinting on CyD to bind large drugs It often happens that one CyD molecule is
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Published 09 Feb 2023

Antimicrobial and mechanical properties of functionalized textile by nanoarchitectured photoinduced Ag@polymer coating

  • Jessica Plé,
  • Marine Dabert,
  • Helene Lecoq,
  • Sophie Hellé,
  • Lydie Ploux and
  • Lavinia Balan

Beilstein J. Nanotechnol. 2023, 14, 95–109, doi:10.3762/bjnano.14.11

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  • with compounds generating reactive oxygen species (ROS) or blocks DNA replication and protein action (enzymes), thereby leading to cell death. The increased growth inhibition observed for C. albicans compared to E. coli could be explained in part by the difference in kinetics of silver penetration into
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Published 12 Jan 2023

Combining physical vapor deposition structuration with dealloying for the creation of a highly efficient SERS platform

  • Adrien Chauvin,
  • Walter Puglisi,
  • Damien Thiry,
  • Cristina Satriano,
  • Rony Snyders and
  • Carla Bittencourt

Beilstein J. Nanotechnol. 2023, 14, 83–94, doi:10.3762/bjnano.14.10

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  • sensors are promising for various applications in chemical (e.g., explosive [3] or chemical warfare agents [4]) or biological (e.g., lipid or protein [5]) sensing, environmental monitoring [6] as well as in food safety through the detection of pollutants such as phenol [3][7] or rhodamine [8]. The SERS
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Published 11 Jan 2023

Single-step extraction of small-diameter single-walled carbon nanotubes in the presence of riboflavin

  • Polina M. Kalachikova,
  • Anastasia E. Goldt,
  • Eldar M. Khabushev,
  • Timofei V. Eremin,
  • Timofei S. Zatsepin,
  • Elena D. Obraztsova,
  • Konstantin V. Larionov,
  • Liubov Yu. Antipina,
  • Pavel B. Sorokin and
  • Albert G. Nasibulin

Beilstein J. Nanotechnol. 2022, 13, 1564–1571, doi:10.3762/bjnano.13.130

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  • . Application trends of riboflavin-stabilized SWCNTs Small-diameter SWCNT–riboflavin conjugates represent a promising class of nanomaterials for cancer treatment and targeted riboflavin delivery [26][27][28]. It has been shown that riboflavin carrier protein is highly overexpressed in several cancer tissues
  • such as melanoma, luminal 45 A breast cancer, and squamous cell carcinoma. Riboflavin-covered SWCNTs have immense potential in detecting tumors since riboflavin is selectively attached to the riboflavin carrier protein in the tumor cells while the photoluminescence increased by SWCNTs allows for high
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Published 22 Dec 2022

Rapid and sensitive detection of box turtles using an electrochemical DNA biosensor based on a gold/graphene nanocomposite

  • Abu Hashem,
  • M. A. Motalib Hossain,
  • Ab Rahman Marlinda,
  • Mohammad Al Mamun,
  • Khanom Simarani and
  • Mohd Rafie Johan

Beilstein J. Nanotechnol. 2022, 13, 1458–1472, doi:10.3762/bjnano.13.120

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  • over time [14][15]. However, molecular biology techniques such as protein- [16] and DNA-based [17] methods are commonly used. The structure of proteins in processed meat products is altered, reducing the accuracy of species identification in processed meals [18][19]. DNA-based technologies are thought
  • to be more stable compared to protein-based methods [20]. A variety of DNA-based PCR techniques [21][22][23][24] is widely used for species identification. Although such techniques are selective, sensitive, and repetitive, they are time-consuming, laborious, have complex laboratory protocols [12][16
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Published 06 Dec 2022

Studies of probe tip materials by atomic force microscopy: a review

  • Ke Xu and
  • Yuzhe Liu

Beilstein J. Nanotechnol. 2022, 13, 1256–1267, doi:10.3762/bjnano.13.104

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  • mechanical properties of the cantilever beam directly affect the performance, measurement resolution, and image quality of the AFM instrument. AFM probe tips [9][10] are generally fabricated with coatings, carbon nanotubes, magnetic nanoparticles, or even protein functionalization. A combination of probe
  • prepared colloidal gold was identified by transmission electron microscopy and UV spectrophotometer for size and uniformity. The amount of colloidal gold-labeled HBsAg Mab protein was determined by the CVAI curve; the probe was identified by spot immunosorbent assay. The prepared 15 nm colloidal gold
  • particles were homogeneous; the maximum absorption wavelength was 518 nm with narrow peak width in the UV spectrophotometer 400–700 nm scan; the purified HBsAg Mab concentration was 65 mg/mL; the optimal protein protection amount was 32.5 μg per mL of colloidal gold at pH 8.2; the quality of the probe was
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Published 03 Nov 2022

Design of surface nanostructures for chirality sensing based on quartz crystal microbalance

  • Yinglin Ma,
  • Xiangyun Xiao and
  • Qingmin Ji

Beilstein J. Nanotechnol. 2022, 13, 1201–1219, doi:10.3762/bjnano.13.100

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  • . A similar QCM response is also seen for gelatin. As physicochemical properties of BSA and gelatin are different, it was inferred that the chiral sensing effect of this system could be applied to various protein species. The authors further employed fluorescent titration measurements to study the
  • affinity between proteins and chiral selectors. It was elucidated that stereoselective hydrophobic interactions are the major driving forces that govern protein adsorption on ʟ-Val-modified surfaces. Besides small biomolecules, biological macromolecules, such as proteins and enzymes, also show natural
  • nanostructures such as carbon nanotubes and fullerenes were demonstrated to have chirality. However, the preparation of chirality-pure substrates still requires the combination of specific carbon nanostructures and homochiral functionalizations [150][151]. Protein misfolding, which may form amyloid aggregates
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Published 27 Oct 2022

Application of nanoarchitectonics in moist-electric generation

  • Jia-Cheng Feng and
  • Hong Xia

Beilstein J. Nanotechnol. 2022, 13, 1185–1200, doi:10.3762/bjnano.13.99

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  • capacity in different directions, which naturally leads to a difference in the concentration of ions contained in the film material. These film materials include biological nanofibers (NFs) [85], porous polydopamine (g-PDA) [84], protein nanowires [86], and gelatin molecules [87], which yielded output
  • voltages of 0.115, 0.52, 0.5, and 0.71 V, respectively. As shown in Figure 8a, the existence of this natural concentration difference has been experimentally proved in a work regarding protein nanowires. In organic materials, in addition to the difference in natural adsorption capacity to construct
  • John Wiley and Sons. Copyright © 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. This content is not subject to CC BY 4.0. (a) Vapor pressure gradient near the air interface. (b) TEM images of the purified nanowire network. Scale bars: 100 nm. (c) Diagram of the protein device structure. Figure 8a–c
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Published 25 Oct 2022

Microneedle-based ocular drug delivery systems – recent advances and challenges

  • Piotr Gadziński,
  • Anna Froelich,
  • Monika Wojtyłko,
  • Antoni Białek,
  • Julia Krysztofiak and
  • Tomasz Osmałek

Beilstein J. Nanotechnol. 2022, 13, 1167–1184, doi:10.3762/bjnano.13.98

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  • . For comparison, the cornea permeates substances with a mass not greater than 1 kDa [28]. Unfortunately, transscleral absorption is often reduced by elimination via nasolacrimal drainage pathways, tear protein binding, or drug metabolism [44]. The treatment efficiency is also decreased by constant
  • injection [177]. Amer and Chen fabricated PVA hydrogel-based microneedle arrays for the delivery of immunoglobin G1, a model protein resembling bevacizumab, a monoclonal antibody applied in the treatment of age-related macular degeneration (AMD) (Figure 6). First, the master mold was produced with the use
  • suspension used for 5 min was almost five times less effective than the MNs [158]. Nanoparticle-loaded bilayer dissolving microneedle arrays for the sustained delivery of proteins to the posterior region of the eye were developed by Wu and co-workers (Figure 8). Ovalbumin, a model protein, was encapsulated
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Published 24 Oct 2022

Recent advances in green carbon dots (2015–2022): synthesis, metal ion sensing, and biological applications

  • Aisha Kanwal,
  • Naheed Bibi,
  • Sajjad Hyder,
  • Arif Muhammad,
  • Hao Ren,
  • Jiangtao Liu and
  • Zhongli Lei

Beilstein J. Nanotechnol. 2022, 13, 1068–1107, doi:10.3762/bjnano.13.93

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  • synthesis of carbon dots Green synthesis of CDs mainly utilizes biomass. Biomass synthesis makes use of natural raw materials (organisms, waste material, protein products, or natural polymers), instead of reaction precursors usually used in the traditional methods, and also requires external energy supply
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Published 05 Oct 2022

Biomimetic chitosan with biocomposite nanomaterials for bone tissue repair and regeneration

  • Se-Kwon Kim,
  • Sesha Subramanian Murugan,
  • Pandurang Appana Dalavi,
  • Sebanti Gupta,
  • Sukumaran Anil,
  • Gi Hun Seong and
  • Jayachandran Venkatesan

Beilstein J. Nanotechnol. 2022, 13, 1051–1067, doi:10.3762/bjnano.13.92

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  • phosphatase, bone morphogenic protein, runt-related transcription factor-2, bone sialoprotein, and osteocalcin. In vitro and in vivo studies highlight the scientific findings of antibacterial activity, tissue integration, stiffness, mechanical strength, and degradation behaviour of composite materials for
  • , the gene RUNX2 upregulates the genes for collagen type I alpha 1 (ColIA1), alkaline phosphatase (ALP), bone sialoprotein (BSP), bone gamma-carboxyglutamate protein (BGLAP), and osteocalcin (OCN), which are important for the regeneration process [34]. To mimic the natural bone function, the composite
  • bone mimetic scaffolds [37]. Bone morphogenetic protein 2 (BMP-2) is one of the widely utilized growth factors for the treatment of bone-related diseases and defects [38][39]. Growth factors are responsible for bone formation which happens through the stimulation of different kinds of cells in our body
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Published 29 Sep 2022

Bioselectivity of silk protein-based materials and their bio-inspired applications

  • Hendrik Bargel,
  • Vanessa T. Trossmann,
  • Christoph Sommer and
  • Thomas Scheibel

Beilstein J. Nanotechnol. 2022, 13, 902–921, doi:10.3762/bjnano.13.81

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  • urgently requires new material concepts for preventing microbial infestation and biofilm formation. Thus, materials exhibiting microbial repellence or antimicrobial behaviour to reduce inflammation, while selectively enhancing regeneration in host tissues are of utmost interest. In this context, protein
  • on biological processes and surface interactions involved in the bioselective adhesion of mammalian cells and repellence of microbes on protein-based material surfaces. In addition, it highlights the importance of materials made of recombinant spider silk proteins, focussing on the progress regarding
  • bioselectivity. Keywords: antifouling; bacteriostatic; biofouling; bioselective cell adhesion; spider silk protein; Review 1 Introduction 1.1 Bioadhesive protein surfaces Biological adhesion is important for all organisms such as plants, animals, bacteria, and fungi, covering a wide range of biological aspects
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Published 08 Sep 2022

DNA aptamer selection and construction of an aptasensor based on graphene FETs for Zika virus NS1 protein detection

  • Nathalie B. F. Almeida,
  • Thiago A. S. L. Sousa,
  • Viviane C. F. Santos,
  • Camila M. S. Lacerda,
  • Thais G. Silva,
  • Rafaella F. Q. Grenfell,
  • Flavio Plentz and
  • Antero S. R. Andrade

Beilstein J. Nanotechnol. 2022, 13, 873–881, doi:10.3762/bjnano.13.78

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  • ligands by exponential enrichment” (SELEX). In this study, we select an aptamer (termed ZIKV60) by capillary electrophoresis SELEX (CE-SELEX) to the Zika virus non-structural protein 1 (NS1) and counterselection against the NS1 proteins of DENV (serotypes 1, 2, 3, and 4) and YFV. The ZIKV60 dissociation
  • constant (Kd) is determined by enzyme-linked oligonucleotide assay (ELONA) and the aptamer specificity is evaluated by quantitative real-time polymerase chain reaction. ZIKV60 shows a high binding affinity to the ZIKV NS1 protein with a Kd value of 2.28 ± 0.28 nM. The aptamer presents high specificity for
  • ZIKV NS1 compared to NS1 of DENV and YFV. Furthermore, graphene field-effect transistor devices functionalized with ZIKV60 exhibit an evident identification of NS1 protein diluted in human serum. These results point to the applicability of biosensors based on the ZIKV60 aptamer for the differential
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Published 02 Sep 2022

Gelatin nanoparticles with tunable mechanical properties: effect of crosslinking time and loading

  • Agnes-Valencia Weiss,
  • Daniel Schorr,
  • Julia K. Metz,
  • Metin Yildirim,
  • Saeed Ahmad Khan and
  • Marc Schneider

Beilstein J. Nanotechnol. 2022, 13, 778–787, doi:10.3762/bjnano.13.68

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  • for 0.5 h imaged under liquid conditions by AFM are shown in Figure 1. Incorporating lysozyme as a protein drug up to an initial loading of 3 mg per 20 mg gelatin resulted in particles with comparable size (242.67 ± 11.32 nm), size distribution (0.132 ± 0.04), and a negative zeta potential at neutral
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Published 16 Aug 2022

Design and selection of peptides to block the SARS-CoV-2 receptor binding domain by molecular docking

  • Kendra Ramirez-Acosta,
  • Ivan A. Rosales-Fuerte,
  • J. Eduardo Perez-Sanchez,
  • Alfredo Nuñez-Rivera,
  • Josue Juarez and
  • Ruben D. Cadena-Nava

Beilstein J. Nanotechnol. 2022, 13, 699–711, doi:10.3762/bjnano.13.62

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  • site of a given protein, due to the low cost, versatility, and ease to develop [16][17][18]. Current peptide design techniques involve the modification of peptides based on the ACE2 receptor to increase their binding affinity to the SARS-CoV-2 RBD and to prevent the virus from binding onto the ACE2
  • , hydrogen bonds, and interactions of the selected ligand and protein docked complexes were analyzed by PyMOL (version 2.4) and LigPlot+ (version 2.2) [33][34]. Protein and ligand preparation for AutoDock Vina AutoDock Vina (1.1.2) software was employed for all docking experiments [21]. The X-ray diffraction
  • crystal structure of SARS-CoV-2 RBD spike protein (PDB ID: 6VYB) was selected for this study. The molecules bound to the protein receptor molecule were removed. The RBD spike protein was prepared using AutoDock Tools to add polar hydrogen atoms, Kollman charges, and to remove water molecules. The active
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Published 22 Jul 2022
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