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1.
Sci Rep ; 14(1): 26596, 2024 Nov 04.
Artigo em Inglês | MEDLINE | ID: mdl-39496760

RESUMO

Failure Modes, Effects, and Criticality Analysis (FMECA) is a commonly used method for analyzing system reliability. It is frequently applied in identifying weak points in the reliability of CNC machine tools. However, traditional FMECA has issues such as vague descriptions of risk factors, equal treatment of risk factors, and unclear directions for improving weak points. In response to the issue of vague descriptions of risk factors, this paper further expands severity (S) into machine hazard (M) and personal hazard (P), and subdivides detectability (D) into functional structural complexity (D1) and detection cost (D2). In addressing the issue of treating risk factors equally, this paper integrates Distance Analysis Method (DAM) and Grey Relational Analysis (GRA) to propose Distance-Grey Relational Analysis (D-GRA). Subsequently, based on the D-GRA method, the weights of each risk factor were determined by comprehensively considering expert system scores and actual economic loss indicators. In response to the issue of unclear improvement directions for weak points, this paper introduces the BCC model. It treats common failure modes of CNC machine tools as decision-making units within the BCC model, refines risk factors as input indicators, and evaluates the efficiency values of each decision-making unit based on various actual losses as output indicators. Through efficiency value analysis, it proposes improvement directions for weak points. Then, based on the weights of risk factors and the efficiency values of failure modes, a modified calculation method for the new Risk Priority Number (RPN) is proposed to amend the traditional RPN, This paper takes the electric spindle system of a certain machining center as an example, applies the proposed method to rank common failure modes with the new RPN, and compares it with other RPN calculation methods to verify the rationality of the proposed approach. Finally, it presents improvement directions for reliability enhancement.

2.
ACS Biomater Sci Eng ; 10(8): 4716-4739, 2024 Aug 12.
Artigo em Inglês | MEDLINE | ID: mdl-39091217

RESUMO

Increasing attention has been paid to the development of effective strategies for articular cartilage (AC) and osteochondral (OC) regeneration due to their limited self-reparative capacities and the shortage of timely and appropriate clinical treatments. Traditional cell-dependent tissue engineering faces various challenges such as restricted cell sources, phenotypic alterations, and immune rejection. In contrast, endogenous tissue engineering represents a promising alternative, leveraging acellular biomaterials to guide endogenous cells to the injury site and stimulate their intrinsic regenerative potential. This review provides a comprehensive overview of recent advancements in endogenous tissue engineering strategies for AC and OC regeneration, with a focus on the tissue engineering triad comprising endogenous stem/progenitor cells (ESPCs), scaffolds, and biomolecules. Multiple types of ESPCs present within the AC and OC microenvironment, including bone marrow-derived mesenchymal stem cells (BMSCs), adipose-derived mesenchymal stem cells (AD-MSCs), synovial membrane-derived mesenchymal stem cells (SM-MSCs), and AC-derived stem/progenitor cells (CSPCs), exhibit the ability to migrate toward injury sites and demonstrate pro-regenerative properties. The fabrication and characteristics of scaffolds in various formats including hydrogels, porous sponges, electrospun fibers, particles, films, multilayer scaffolds, bioceramics, and bioglass, highlighting their suitability for AC and OC repair, are systemically summarized. Furthermore, the review emphasizes the pivotal role of biomolecules in facilitating ESPCs migration, adhesion, chondrogenesis, osteogenesis, as well as regulating inflammation, aging, and hypertrophy-critical processes for endogenous AC and OC regeneration. Insights into the applications of endogenous tissue engineering strategies for in vivo AC and OC regeneration are provided along with a discussion on future perspectives to enhance regenerative outcomes.


Assuntos
Cartilagem Articular , Regeneração , Engenharia Tecidual , Alicerces Teciduais , Humanos , Engenharia Tecidual/métodos , Cartilagem Articular/fisiologia , Cartilagem Articular/citologia , Alicerces Teciduais/química , Regeneração/fisiologia , Animais , Células-Tronco Mesenquimais/citologia , Condrogênese/fisiologia , Materiais Biocompatíveis
3.
Front Bioeng Biotechnol ; 12: 1417742, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39070169

RESUMO

Introduction: Osteochondral repair poses a significant challenge due to its unique pathological mechanisms and complex repair processes, particularly in bacterial tissue conditions resulting from open injuries, infections, and surgical contamination. This study introduces a biomimetic honeycomb-like scaffold (Zn-AlgMA@Mg) designed for osteochondral repair. The scaffold consists of a dicalcium phosphate dihydrate (DCPD)-coated porous magnesium scaffold (DCPD Mg) embedded within a dual crosslinked sodium alginate hydrogel (Zn-AlgMA). This combination aims to synergistically exert antibacterial and osteochondral integrated repair properties. Methods: The Zn-AlgMA@Mg scaffold was fabricated by coating porous magnesium scaffolds with DCPD and embedding them within a dual crosslinked sodium alginate hydrogel. The structural and mechanical properties of the DCPD Mg scaffold were characterized using scanning electron microscopy (SEM) and mechanical testing. The microstructural features and hydrophilicity of Zn-AlgMA were assessed. In vitro studies were conducted to evaluate the controlled release of magnesium and zinc ions, as well as the scaffold's osteogenic, chondrogenic, and antibacterial properties. Proteomic analysis was performed to elucidate the mechanism of osteochondral integrated repair. In vivo efficacy was evaluated using a rabbit full-thickness osteochondral defect model, with micro-CT evaluation, quantitative analysis, and histological staining (hematoxylin-eosin, Safranin-O, and Masson's trichrome). Results: The DCPD Mg scaffold exhibited a uniform porous structure and superior mechanical properties. The Zn-AlgMA hydrogel displayed consistent microstructural features and enhanced hydrophilicity. The Zn-AlgMA@Mg scaffold provided controlled release of magnesium and zinc ions, promoting cell proliferation and vitality. In vitro studies demonstrated significant osteogenic and chondrogenic properties, as well as antibacterial efficacy. Proteomic analysis revealed the underlying mechanism of osteochondral integrated repair facilitated by the scaffold. Micro-CT evaluation and histological analysis confirmed successful osteochondral integration in the rabbit model. Discussion: The biomimetic honeycomb-like scaffold (Zn-AlgMA@Mg) demonstrated promising results for osteochondral repair, effectively addressing the challenges posed by bacterial tissue conditions. The scaffold's ability to release magnesium and zinc ions in a controlled manner contributed to its significant osteogenic, chondrogenic, and antibacterial properties. Proteomic analysis provided insights into the scaffold's mechanism of action, supporting its potential for integrated osteochondral regeneration. The successful in vivo results highlight the scaffold's efficacy, making it a promising biomaterial for future applications in osteochondral repair.

4.
Methods Appl Fluoresc ; 12(3)2024 May 03.
Artigo em Inglês | MEDLINE | ID: mdl-38702877

RESUMO

In this research, we synthesized and constructed a novel gelator (namedQN) combining quinoline and naphthalene that self-assembled in N, N-dimethylformamide (DMF) to form a stable supramolecular gel (namedOQN). Under UV light, gelOQNexhibited extremely bright yellow fluorescence. The gelOQNshowed excellent sensing performance for both Fe3+and Cu2+, with a fluorescence 'turn-off' detection mechanism and the lowest detection limit of 7.58 × 10-8M and 1.51 × 10-8M, respectively. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectra, x-ray powder diffraction (XRD), rheological measurements, x-ray photoelectron spectroscopy (XPS), and fluorescence spectroscopy were used to characterize the gelOQN. TheOQNion-responsive membrane created is an excellent fluorescent writing material.

5.
Sci Adv ; 10(17): eadm7164, 2024 Apr 26.
Artigo em Inglês | MEDLINE | ID: mdl-38657071

RESUMO

Myotendinous junction (MTJ) injuries are prevalent in clinical practice, yet the treatment approaches are limited to surgical suturing and conservative therapy, exhibiting a high recurrence rate. Current research on MTJ tissue engineering is scarce and lacks in vivo evaluation of repair efficacy. Here, we developed a three-dimensional-printed bioactive fiber-reinforced hydrogel containing mesenchymal stem cells (MSCs) and Klotho for structural and functional MTJ regeneration. In a rat MTJ defect model, the bioactive fiber-reinforced hydrogel promoted the structural restoration of muscle, tendon, and muscle-tendon interface and enhanced the functional recovery of injured MTJ. In vivo proteomics and in vitro cell cultures elucidated the regenerative mechanisms of the bioactive fiber-reinforced hydrogel by modulating oxidative stress and inflammation, thus engineering an optimized microenvironment to support the survival and differentiation of transplanted MSCs and maintain the functional phenotype of resident cells within MTJ tissues, including tendon/muscle cells and macrophages. This strategy provides a promising treatment for MTJ injuries.


Assuntos
Microambiente Celular , Hidrogéis , Células-Tronco Mesenquimais , Regeneração , Tendões , Animais , Hidrogéis/química , Hidrogéis/farmacologia , Ratos , Células-Tronco Mesenquimais/metabolismo , Células-Tronco Mesenquimais/citologia , Tendões/metabolismo , Tendões/citologia , Alicerces Teciduais/química , Engenharia Tecidual/métodos , Ratos Sprague-Dawley , Diferenciação Celular , Transplante de Células-Tronco Mesenquimais/métodos , Masculino , Impressão Tridimensional , Junção Miotendínea
6.
Biomedicines ; 12(2)2024 Feb 12.
Artigo em Inglês | MEDLINE | ID: mdl-38398025

RESUMO

The muscle-tendon junction (MTJ) is a highly specific tissue interface where the muscle's fascia intersects with the extracellular matrix of the tendon. The MTJ functions as the particular structure facilitating the transmission of force from contractive muscle fibers to the skeletal system, enabling movement. Considering that the MTJ is continuously exposed to constant mechanical forces during physical activity, it is susceptible to injuries. Ruptures at the MTJ often accompany damage to both tendon and muscle tissues. In this review, we attempt to provide a precise definition of the MTJ, describe its subtle structure in detail, and introduce therapeutic approaches related to MTJ tissue engineering. We hope that our detailed illustration of the MTJ and summary of the representative research achievements will help researchers gain a deeper understanding of the MTJ and inspire fresh insights and breakthroughs for future research.

7.
Curr Gene Ther ; 2023 Nov 08.
Artigo em Inglês | MEDLINE | ID: mdl-37957848

RESUMO

INTRODUCTION: Since the emergence of SARS-CoV-2 viruses, multiple mutant strains have been identified. Infection with SARS-CoV-2 virus leads to alterations in host cell phosphorylation signal, which systematically modulates the immune response. METHOD: Identification and analysis of SARS-CoV-2 virus infection phosphorylation sites enable insight into the mechanisms of viral infection and effects on host cells, providing important fundamental data for the study and development of potent drugs for the treatment of immune inflammatory diseases. In this paper, we have analyzed the SARS-CoV-2 virus-infected phosphorylation region and developed a transformer-based deep learning-assisted identification method for the specific identification of phosphorylation sites in SARS-CoV-2 virus-infected host cells. RESULT: Furthermore, through association analysis with lung cancer, we found that SARS-CoV-2 infection may affect the regulatory role of the immune system, leading to an abnormal increase or decrease in the immune inflammatory response, which may be associated with the development and progression of cancer. CONCLUSION: We anticipate that this study will provide an important reference for SARS-CoV-2 virus evolution as well as immune-related studies and provide a reliable complementary screening tool for anti-SARS-CoV-2 virus drug and vaccine design.

8.
Brief Bioinform ; 25(1)2023 11 22.
Artigo em Inglês | MEDLINE | ID: mdl-37991248

RESUMO

Due to the high dimensionality and sparsity of the gene expression matrix in single-cell RNA-sequencing (scRNA-seq) data, coupled with significant noise generated by shallow sequencing, it poses a great challenge for cell clustering methods. While numerous computational methods have been proposed, the majority of existing approaches center on processing the target dataset itself. This approach disregards the wealth of knowledge present within other species and batches of scRNA-seq data. In light of this, our paper proposes a novel method named graph-based deep embedding clustering (GDEC) that leverages transfer learning across species and batches. GDEC integrates graph convolutional networks, effectively overcoming the challenges posed by sparse gene expression matrices. Additionally, the incorporation of DEC in GDEC enables the partitioning of cell clusters within a lower-dimensional space, thereby mitigating the adverse effects of noise on clustering outcomes. GDEC constructs a model based on existing scRNA-seq datasets and then applying transfer learning techniques to fine-tune the model using a limited amount of prior knowledge gleaned from the target dataset. This empowers GDEC to adeptly cluster scRNA-seq data cross different species and batches. Through cross-species and cross-batch clustering experiments, we conducted a comparative analysis between GDEC and conventional packages. Furthermore, we implemented GDEC on the scRNA-seq data of uterine fibroids. Compared results obtained from the Seurat package, GDEC unveiled a novel cell type (epithelial cells) and identified a notable number of new pathways among various cell types, thus underscoring the enhanced analytical capabilities of GDEC. Availability and implementation: https://github.com/YuzhiSun/GDEC/tree/main.


Assuntos
Perfilação da Expressão Gênica , Leiomioma , Humanos , Perfilação da Expressão Gênica/métodos , Algoritmos , Análise de Sequência de RNA/métodos , Análise da Expressão Gênica de Célula Única , Análise de Célula Única/métodos , Análise por Conglomerados , Aprendizado de Máquina
9.
Chemistry ; 29(65): e202301602, 2023 Nov 21.
Artigo em Inglês | MEDLINE | ID: mdl-37622405

RESUMO

The levels of KRAS G12C point mutation is recognized to be closely related to the earlier diagnosis of non-small cell lung cancer (NSCLC). Here, based on nitrogen-doped graphene quantum dots (NGQDs) and photo-induced electron/energy transfer reversible addition-fragment chain transfer (PET-RAFT) signal amplification strategy, we fabricated a novel electrochemiluminescence (ECL) biosensor for the detection of KRAS G12C mutation for the first time. NGQDs as ECL-emitting species with cathodic ECL were prepared by a simple calcination method. Firstly, KRAS G12C mutation DNA, i. e., target DNA (tDNA), was captured by specific identification with hairpin DNA (hDNA). Then, PET-RAFT was initiated by blue light, and large numbers of monomers were successfully polymerized to form controllable polymer chains. Lastly, massive NGQDs was introduced via amidation reaction with N-(3-aminopropyl)methacrylamide hydrochloride (APMA), which significantly amplified the ECL signal intensity. Under optimal conditions, this biosensor achieved a good linear relationship between ECL intensity and logarithm of the levels of KRAS G12C mutation in the range from 10 fM to 10 nM. Moreover, this strategy exhibited high selectivity and excellent applicability for KRAS G12C mutation detection in the serum samples. Therefore, this biosensor has great potential in clinical diagnosis and practical application.


Assuntos
Técnicas Biossensoriais , Carcinoma Pulmonar de Células não Pequenas , Grafite , Neoplasias Pulmonares , Pontos Quânticos , Humanos , Proteínas Proto-Oncogênicas p21(ras)/genética , Nitrogênio , Medições Luminescentes/métodos , DNA , Técnicas Biossensoriais/métodos , Mutação , Tomografia por Emissão de Pósitrons
10.
Pharmaceutics ; 15(8)2023 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-37631359

RESUMO

A carbon nanotube-doped octapeptide self-assembled hydrogel (FEK/C) and a hydrogel-based polycaprolactone PCL composite scaffold (FEK/C3-S) were developed for cartilage and subchondral bone repair. The composite scaffold demonstrated modulated microstructure, mechanical properties, and conductivity by adjusting CNT concentration. In vitro evaluations showed enhanced cell proliferation, adhesion, and migration of articular cartilage cells, osteoblasts, and bone marrow mesenchymal stem cells. The composite scaffold exhibited good biocompatibility, low haemolysis rate, and high protein absorption capacity. It also promoted osteogenesis and chondrogenesis, with increased mineralization, alkaline phosphatase (ALP) activity, and glycosaminoglycan (GAG) secretion. The composite scaffold facilitated accelerated cartilage and subchondral bone regeneration in a rabbit knee joint defect model. Histological analysis revealed improved cartilage tissue formation and increased subchondral bone density. Notably, the FEK/C3-S composite scaffold exhibited the most significant cartilage and subchondral bone formation. The FEK/C3-S composite scaffold holds great promise for cartilage and subchondral bone repair. It offers enhanced mechanical support, conductivity, and bioactivity, leading to improved tissue regeneration. These findings contribute to the advancement of regenerative strategies for challenging musculoskeletal tissue defects.

11.
Adv Sci (Weinh) ; 10(17): e2206814, 2023 06.
Artigo em Inglês | MEDLINE | ID: mdl-37097733

RESUMO

Stiffness is an important physical property of biomaterials that determines stem cell fate. Guiding stem cell differentiation via stiffness modulation has been considered in tissue engineering. However, the mechanism by which material stiffness regulates stem cell differentiation into the tendon lineage remains controversial. Increasing evidence demonstrates that immune cells interact with implanted biomaterials and regulate stem cell behaviors via paracrine signaling; however, the role of this mechanism in tendon differentiation is not clear. In this study, polydimethylsiloxane (PDMS) substrates with different stiffnesses are developed, and the tenogenic differentiation of mesenchymal stem cells (MSCs) exposed to different stiffnesses and macrophage paracrine signals is investigated. The results reveal that lower stiffnesses facilitates tenogenic differentiation of MSCs, while macrophage paracrine signals at these stiffnesses suppress the differentiation. When exposed to these two stimuli, MSCs still exhibit enhanced tendon differentiation, which is further elucidated by global proteomic analysis. Following subcutaneous implantation in rats for 2 weeks, soft biomaterial induces only low inflammation and promotes tendon-like tissue formation. In conclusion, the study demonstrates that soft, rather than stiff, material has a greater potential to guide tenogenic differentiation of stem cells, which provides comprehensive evidence for optimized bioactive scaffold design in tendon tissue engineering.


Assuntos
Células-Tronco Mesenquimais , Comunicação Parácrina , Ratos , Animais , Proteômica , Diferenciação Celular , Materiais Biocompatíveis
12.
J Mater Chem B ; 11(6): 1240-1261, 2023 02 08.
Artigo em Inglês | MEDLINE | ID: mdl-36648128

RESUMO

Osteochondral defect (OCD) regeneration remains a great challenge. Recently, multilayer scaffold simulating native osteochondral structures have aroused broad interest in osteochondral tissue engineering. Here, we developed a 3D multifunctional bi-layer scaffold composed of a kartogenin (KGN)-loaded GelMA hydrogel (GelMA/KGN) as an upper layer mimicking a cartilage-specific extracellular matrix and a hydroxyapatite (HA)-coated 3D printed polycaprolactone porous scaffold (PCL/HA) as a lower layer simulating subchondral bone. The bi-layer scaffolds were subsequently modified with tannic acid (TA) prime-coating and E7 peptide conjugation (PCL/HA-GelMA/KGN@TA/E7) to regulate endogenous stem cell behaviors and exert antioxidant activity for enhanced osteochondral regeneration. In vitro, the scaffolds could support cell attachment and proliferation, and enhance the chondrogenic and osteogenic differentiation capacity of bone marrow-derived mesenchymal stem cells (BMSCs) in a specific layer. Besides, the incorporation of TA/E7 significantly increased the biological activity of the bi-layer scaffolds including the pro-migratory effect, antioxidant activity, and the maintenance of cell viability against oxidative stress. In vivo, the developed bi-layer scaffolds enhanced the simultaneous regeneration of cartilage and subchondral bone when implanted into a rabbit OCD model through macroscopic, micro-CT, and histological evaluation. Taken together, these investigations demonstrated that the 3D multifunctional bi-layer scaffolds could provide a suitable microenvironment for endogenous stem cells, and promote in situ osteochondral regeneration, showing great potential for the clinical treatment of OCD.


Assuntos
Osteogênese , Alicerces Teciduais , Animais , Coelhos , Alicerces Teciduais/química , Antioxidantes , Engenharia Tecidual , Células-Tronco , Durapatita/farmacologia
13.
Biomater Sci ; 11(3): 840-853, 2023 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-36512317

RESUMO

Segmental bone defects over the self-healing threshold are a major challenge for orthopedics. Despite the advancements in clinical practice, traditional tissue engineering methods are limited by the addition of heterogeneous cells and cytokines, leading to carcinoma or other adverse effects. Here, we present a cell-free and cytokine-free strategy using an ECM-mimetic self-assembling peptide hydrogel (SAPH)- polycaprolactone (PCL) composite scaffold. The hydrophilic SAPH endows the rigid PCL scaffold with excellent biocompatibility and preference for osteogenesis induction. The autologous cells around the bone defect site immediately grew, proliferated, and secreted ECM and cytokines after contacting the implanted SAPH-PCL composite scaffold, and the bone repair of rabbit ulnar segmental bone defect was achieved in just six months. Quantitative proteomic analysis reveals that the SAPH-PCL composite scaffold accelerates osteoblastogenesis, osteoclastogenesis, and angiogenesis with moderate immune responses and negligible effects on pathological fibrosis. These findings have important implications for the potential clinical applications of the SAPH-PCL composite scaffold in patients with segmental bone defects and identify the mechanisms of action for accelerated segmental bone defect repair.


Assuntos
Hidrogéis , Alicerces Teciduais , Animais , Coelhos , Proteômica , Engenharia Tecidual/métodos , Osteogênese , Poliésteres/farmacologia , Peptídeos
14.
Bioact Mater ; 20: 221-242, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-35702612

RESUMO

Osteochondral defects (OCD) cannot be efficiently repaired due to the unique physical architecture and the pathological microenvironment including enhanced oxidative stress and inflammation. Conventional strategies, such as the control of implant microstructure or the introduction of growth factors, have limited functions failing to manage these complex environments. Here we developed a multifunctional silk-based hydrogel incorporated with metal-organic framework nanozymes (CuTA@SF) to provide a suitable microenvironment for enhanced OCD regeneration. The incorporation of CuTA nanozymes endowed the SF hydrogel with a uniform microstructure and elevated hydrophilicity. In vitro cultivation of mesenchymal stem cells (MSCs) and chondrocytes showed that CuTA@SF hydrogel accelerated cell proliferation and enhanced cell viability, as well as had antioxidant and antibacterial properties. Under the inflammatory environment with the stimulation of IL-1ß, CuTA@SF hydrogel still possessed the potential to promote MSC osteogenesis and deposition of cartilage-specific extracellular matrix (ECM). The proteomics analysis further confirmed that CuTA@SF hydrogel promoted cell proliferation and ECM synthesis. In the full-thickness OCD model of rabbit, CuTA@SF hydrogel displayed successfully in situ OCD regeneration, as evidenced by micro-CT, histology (HE, S/O, and toluidine blue staining) and immunohistochemistry (Col I and aggrecan immunostaining). Therefore, CuTA@SF hydrogel is a promising biomaterial targeted at the regeneration of OCD.

15.
Nanotechnology ; 32(44)2021 Aug 13.
Artigo em Inglês | MEDLINE | ID: mdl-34311450

RESUMO

Recently, prussian blue analogues (PBAs), as the most classical class of metal-organic frameworks, have been widely studied by scientists. Nevertheless, the inferior conductivity of PBAs restricts the application in supercapacitors. In this work, nickel cobalt hexacyanoferrate (Ni2CoHCF) had been produced via a simple co-precipitation approach and coated with polypyrrole on its surface. The conductivity of PBAs was improved by the polypyrrole coating. The Ni2CoHCF@PPy-400 microspheres were demonstrated to the outstanding specific capacity of 82 mAh g-1at 1 A g-1. After 3000 cycles, the Ni2CoHCF@PPy-400 microspheres had a long cycle life and 86% specific capacity retention rate at 5 A g-1. Additionally, it was coupled with activated carbon to build high performance asymmetric supercapacitor (Ni2CoHCF@PPy-400//AC), which displayed a high energy density of 21.7 Wh kg-1at the power density of 888 W kg-1and good cycle stability after 5000 cycles (a capacity retention rate of 85.2%). What is more, the results reveal that the Ni2CoHCF@PPy-400 microspheresare a prospective candidate for exceptional energy storage devices.

16.
Inorg Chem ; 55(21): 11418-11425, 2016 Nov 07.
Artigo em Inglês | MEDLINE | ID: mdl-27767313

RESUMO

Plastic crystals functioning with rotatable components offer new opportunities in areas such as modern optoelectronic materials. Here, by taking advantage of controllable rotation of the polar component within the ion-pair plastic-crystal system, we present two such crystals, namely, (Et4N)(CrO3X) (X = Cl or Br), which are unusual examples exhibiting two-staged thermosensitive dielectric responses above room temperature. The frequency-dependent response in the first stage is due to the structural phase transitions, whereas that in the second stage is induced by dynamic rotation of the polar halochromate anions in their NaCl-type plastic-crystal phases. The intrinsic mechanisms were also explicated by molecular dynamics simulations, providing a direct insight into the dynamic characteristics of these two compounds. These studies show that ionic plastic crystals functioning with polar groups are an attractive candidate as sensitive thermoresponsive dielectric materials.

17.
Chem Commun (Camb) ; 51(86): 15641-4, 2015 Nov 07.
Artigo em Inglês | MEDLINE | ID: mdl-26365090

RESUMO

The molecular dynamics of encapsulated cations within perovskite-like coordination polymers [(CH3)3NH][M(N3)3] (M = Mn, Cd) are investigated, which are well controlled by the confined space of a deformable azido framework. The Mn-based compound provides a rare example that features an unvaried/varied rotational energy barrier during its two different structural phase transitions.


Assuntos
Azidas/química , Complexos de Coordenação/química , Cádmio/química , Compostos de Cálcio , Cátions/química , Manganês/química , Simulação de Dinâmica Molecular , Óxidos , Titânio
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