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1.
Sensors (Basel) ; 24(14)2024 Jul 09.
Article in English | MEDLINE | ID: mdl-39065826

ABSTRACT

Aiming at the problem of low accuracy of multi-scale seafloor target detection in side-scan sonar images with high noise and complex background texture, a model for multi-scale target detection using the BES-YOLO network is proposed. First, an efficient multi-scale attention (EMA) mechanism is used in the backbone of the YOLOv8 network, and a bi-directional feature pyramid network (Bifpn) is introduced to merge the information of different scales, finally, a Shape_IoU loss function is introduced to continuously optimize the model and improve its accuracy. Before training, the dataset is preprocessed using 2D discrete wavelet decomposition and reconstruction to enhance the robustness of the network. The experimental results show that 92.4% of the mean average accuracy at IoU of 0.5 (mAP@0.5) and 67.7% of the mean average accuracy at IoU of 0.5 to 0.95 (mAP@0.5:0.95) are achieved using the BES-YOLO network, which is an increase of 5.3% and 4.4% compared to the YOLOv8n model. The research results can effectively improve the detection accuracy and efficiency of multi-scale targets in side-scan sonar images, which can be applied to AUVs and other underwater platforms to implement intelligent detection of undersea targets.

2.
Sensors (Basel) ; 24(15)2024 Aug 05.
Article in English | MEDLINE | ID: mdl-39124108

ABSTRACT

Side-scan sonar is a principal technique for subsea target detection, where the quantity of sonar images of seabed targets significantly influences the accuracy of intelligent target recognition. To expand the number of representative side-scan sonar target image samples, a novel augmentation method employing self-training with a Disrupted Student model is designed (DS-SIAUG). The process begins by inputting a dataset of side-scan sonar target images, followed by augmenting the samples through an adversarial network consisting of the DDPM (Denoising Diffusion Probabilistic Model) and the YOLO (You Only Look Once) detection model. Subsequently, the Disrupted Student model is used to filter out representative target images. These selected images are then reused as a new dataset to repeat the adversarial filtering process. Experimental results indicate that using the Disrupted Student model for selection achieves a target recognition accuracy comparable to manual selection, improving the accuracy of intelligent target recognition by approximately 5% over direct adversarial network augmentation.

3.
Sensors (Basel) ; 24(12)2024 Jun 14.
Article in English | MEDLINE | ID: mdl-38931631

ABSTRACT

To achieve high-precision geomagnetic matching navigation, a reliable geomagnetic anomaly basemap is essential. However, the accuracy of the geomagnetic anomaly basemap is often compromised by noise data that are inherent in the process of data acquisition and integration of multiple data sources. In order to address this challenge, a denoising approach utilizing an improved multiscale wavelet transform is proposed. The denoising process involves the iterative multiscale wavelet transform, which leverages the structural characteristics of the geomagnetic anomaly basemap to extract statistical information on model residuals. This information serves as the a priori knowledge for determining the Bayes estimation threshold necessary for obtaining an optimal wavelet threshold. Additionally, the entropy method is employed to integrate three commonly used evaluation indexes-the signal-to-noise ratio, root mean square (RMS), and smoothing degree. A fusion model of soft and hard threshold functions is devised to mitigate the inherent drawbacks of a single threshold function. During denoising, the Elastic Net regular term is introduced to enhance the accuracy and stability of the denoising results. To validate the proposed method, denoising experiments are conducted using simulation data from a sphere magnetic anomaly model and measured data from a Pacific Ocean sea area. The denoising performance of the proposed method is compared with Gaussian filter, mean filter, and soft and hard threshold wavelet transform algorithms. The experimental results, both for the simulated and measured data, demonstrate that the proposed method excels in denoising effectiveness; maintaining high accuracy; preserving image details while effectively removing noise; and optimizing the signal-to-noise ratio, structural similarity, root mean square error, and smoothing degree of the denoised image.

4.
Molecules ; 27(23)2022 Nov 26.
Article in English | MEDLINE | ID: mdl-36500351

ABSTRACT

Non-ignition impact and heat stimuli are the most common external stimuli loaded on energetic materials. Nevertheless, there is thereby an urgent need, but it is still a significant challenge to comprehend their coupling effects on the decay and safety mechanisms of energetic materials. Then, reactive molecular dynamics simulation was employed to mimic practical situations and reveal the impact heat coupling effect on the decay mechanism of FOX-7. The temperature and the degree of compression of the crystal caused by the impact are considered variables in the simulation. Both increasing the degree of compression and elevating the temperature promotes the decay of FOX-7. However, their underlying response mechanism is not the same. The acceleration of decomposition is due to the elevated potential energy of the FOX-7 molecules because of elevating the temperature. In addition to the elevated potential energy of the molecule, the main contribution to the decomposition from the compression is to change the decomposition path. The results of the analysis show that compression reduces the stability of the C=C bond, so that chemical reactions related to the double bond occur. In addition, interestingly, the compression along the c direction has an almost equal effect on the final product as the compression along the b direction. Finally, the decay reaction networks are proposed to provide insights into the decomposition mechanism on atomic level. All these findings are expected to pave a way to understand the underlying response mechanism for the FOX-7 against external stimuli.


Subject(s)
Acceleration , Hot Temperature , Temperature , Molecular Dynamics Simulation
5.
Sensors (Basel) ; 21(18)2021 Sep 09.
Article in English | MEDLINE | ID: mdl-34577250

ABSTRACT

Due to the complex marine environment, side-scan sonar signals are unstable, resulting in random non-rigid distortion in side-scan sonar strip images. To reduce the influence of resolution difference of common areas on strip image mosaicking, we proposed a mosaic method for side-scan sonar strip images based on curvelet transform and resolution constraints. First, image registration was carried out to eliminate dislocation and distortion of the strip images. Then, the resolution vector of the common area in two strip images were calculated, and a resolution model was created. Curvelet transform was then performed for the images, the resolution fusion rules were used for Coarse layer coefficients, and the maximum coefficient integration was applied to the Detail layer and Fine layer to calculate the fusion coefficients. Last, inverse Curvelet transform was carried out on the fusion coefficients to obtain images in the fusion area. The fusion images in multiple areas were then combined in the registered images to obtain the final image. The experiment results showed that the proposed method had better mosaicking performance than some conventional fusion algorithms.


Subject(s)
Algorithms , Software , Radionuclide Imaging
6.
Molecules ; 26(16)2021 Aug 09.
Article in English | MEDLINE | ID: mdl-34443396

ABSTRACT

We report a reactive molecular dynamic (ReaxFF-MD) study using the newly parameterized ReaxFF-lg reactive force field to explore the initial decomposition mechanism of 3-Nitro-1,2,4-triazol-5-one (NTO) under shock loading (shock velocity >6 km/s). The new ReaxFF-lg parameters were trained from massive quantum mechanics data and experimental values, especially including the bond dissociation curves, valence angle bending curves, dihedral angle torsion curves, and unimolecular decomposition paths of 3-Nitro-1,2,4-triazol-5-one (NTO), 1,3,5-Trinitro-1,3,5-triazine (RDX), and 1,1-Diamino-2,2-dinitroethylene (FOX-7). The simulation results were obtained by analyzing the ReaxFF dynamic trajectories, which predicted the most frequent chain reactions that occurred before NTO decomposition was the unimolecular NTO merged into clusters ((C2H2O3N4)n). Then, the NTO dissociated from (C2H2O3N4)n and started to decompose. In addition, the paths of NO2 elimination and skeleton heterocycle cleavage were considered as the dominant initial decomposition mechanisms of NTO. A small amount of NTO dissociation was triggered by the intermolecular hydrogen transfer, instead of the intramolecular one. For α-NTO, the calculated equation of state was in excellent agreement with the experimental data. Moreover, the discontinuity slope of the shock-particle velocity equation was presented at a shock velocity of 4 km/s. However, the slope of the shock-particle velocity equation for ß-NTO showed no discontinuity in the shock wave velocity range of 3-11 km/s. These studies showed that MD by using a suitable ReaxFF-lg parameter set, could provided detailed atomistic information to explain the shock-induced complex reaction mechanisms of energetic materials. With the ReaxFF-MD coupling MSST method and a cheap computational cost, one could also obtain the deformation behaviors and equation of states for energetic materials under conditions of extreme pressure.

7.
Molecules ; 25(22)2020 Nov 16.
Article in English | MEDLINE | ID: mdl-33207790

ABSTRACT

Titanate-based bonding agents are a class of efficient bonding agents for improving the mechanical properties of composite solid propellants, a kind of special composite material. However, high solid contents often deteriorate the rheological properties of propellant slurry, which limits the application of bonding agents. To solve this problem, a series of long-chain alkyl chelated titanate binders, N-n-octyl-N, N-dihydroxyethyl-lactic acid-titanate (DLT-8), N-n-dodecyl-N, N-dihydroxyethyl-lactic acid-titanate (DLT-12), N-n-hexadecyl-N, N-Dihydroxyethyl-lactic acid-titanate (DLT-16), were designed and synthesized in the present work. The infrared absorption spectral changes of solid propellants caused by binder coating and adhesion degrees of the bonding agents on the oxidant surface were determined by micro-infrared microscopy (MIR) and X-ray photoelectron spectroscopy (XPS), respectively, to characterize the interaction properties of the bonding agents with oxidants, ammonium perchlorate (AP) and hexogen (RDX), in solid propellants. The further application tests suggest that the bonding agents can effectively interact with the oxidants and effectively improve the mechanical and rheological properties of the four-component hydroxyl-terminated polybutadiene (HTPB) composite solid propellants containing AP and RDX. The agent with longer bond chain length can improve the rheological properties of the propellant slurry more significantly, and the propellant of the best mechanical properties was obtained with DLT-12, consistent with the conclusion obtained in the interfacial interaction study. Our work has provided a new method for simultaneously improving the processing performance and rheological properties of propellants and offered an important guidance for the bonding agent design.


Subject(s)
Chelating Agents/chemistry , Titanium/chemistry , Butadienes/chemistry , Elastomers/chemistry , Perchlorates/chemistry , Photoelectron Spectroscopy , Proton Magnetic Resonance Spectroscopy , Quaternary Ammonium Compounds/chemistry , Spectroscopy, Fourier Transform Infrared , Triazines/chemistry
8.
Molecules ; 25(13)2020 Jul 03.
Article in English | MEDLINE | ID: mdl-32635346

ABSTRACT

In this study, sulfur-free expanded graphite (EG) was obtained by using flake graphite as the raw material, and EG/Fe3O4 composites with excellent microwave absorption properties were prepared by a facile one-pot co-precipitation method. The structure and properties of as-prepared EG/Fe3O4 were investigated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FT-IR), X-ray diffraction (XRD), Raman, X-ray photoelectron spectrometry (XPS), thermogravimetric (TG), and vibrating sample magnetometry (VSM) characterizations. The Fe3O4 intercalated between the layers of expanded graphite forms a sandwich-like structure which is superparamagnetic and porous. When applied as a microwave absorber, the reflection loss (RL) of EG/Fe3O4 reaches -40.39 dB with a thickness of 3.0 mm (10 wt% loading), and the effective absorption bandwidth (EAB < -10 dB) with RL exceeding -10 dB is 4.76-17.66 GHz with the absorber thickness of 1.5-4.0 mm. Considering its non-toxicity, easy operation, low cost, suitability for large-scale industrial production, and excellent microwave absorbing performance, EG/Fe3O4 is expected to be a promising candidate for industrialized electromagnetic absorbing materials.


Subject(s)
Ferric Compounds/chemistry , Graphite/chemistry , Microwaves , Photoelectron Spectroscopy , Physical Phenomena , Spectroscopy, Fourier Transform Infrared , Surface Properties , X-Ray Diffraction
9.
Mar Drugs ; 16(12)2018 Nov 29.
Article in English | MEDLINE | ID: mdl-30501087

ABSTRACT

A polyampholytic superabsorbent polymer (PASAP), sodium alginate-g-(polyacrylic acid-co-allyltrimethylammonium chloride) (SA-g-(PAA-co-PTM)), was prepared by free-radical graft copolymerization and characterized. The polymer exhibited pH-dependent swelling behaviors with extremely high swelling ratios, and was saline tolerant. The dye adsorption properties of SA-g-(PAA-co-PTM) were investigated using methylene blue (MB) as a cationic dye model. It was found that its dye adsorption capacity was significantly affected by the TM content in PASAP and pH of dye solution. The dye adsorption kinetics and isotherm obey the pseudo-second-order kinetic model and the Langmuir isotherm model, respectively, and the adsorption process is chemisorption in nature. In addition, SA-g-(PAA-co-PTM) exhibited high MB adsorption capacities in a wide pH range and reusability in at least five adsorption-desorption cycles, indicating its great application potentials as the adsorbent for dye removals from effluents.


Subject(s)
Acrylates/chemistry , Acrylic Resins/chemistry , Alginates/chemistry , Ammonium Compounds/chemistry , Polymers/chemistry , Water Purification/methods , Adsorption , Buffers , Coloring Agents/chemistry , Coloring Agents/toxicity , Hydrogen-Ion Concentration , Kinetics , Methylene Blue/chemistry , Methylene Blue/toxicity , Water Pollutants, Chemical/chemistry , Water Pollutants, Chemical/toxicity
10.
Mar Drugs ; 15(9)2017 Sep 04.
Article in English | MEDLINE | ID: mdl-28869533

ABSTRACT

In the present work, a fluorescent H2O2 biosensor was constructed by encapsulating fluorescent probe Rhodamine B (RhmB) in the hydrophobic cavity of the cyclodextrin (ß-CD) and immobilizing catalase (CAT) on the 2-NH2 of chitosan (CTS) in a chitosan 6-OH immobilized ß-cyclodextrin derivative (CTS-6-CD). The inclusion complex of CTS-6-CD to RhmB (CTS-6-CD-RhmB) was prepared by a solution method. Its structure and inclusion efficiency were determined by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and fluorescence spectroscopy (FL). CAT was immobilized on CTS-6-CD-RhmB to eventually form the functional membrane, CTS-6-CD-RhmB-CAT, via glutaraldehyde crosslinking, which was further characterized by FTIR and FL, and used as a H2O2 biosensor. The functional membrane was used to simultaneously oxidize and detect H2O2. The detection condition was optimized as pH 8, a reaction temperature of 25 °C, and an immobilized enzyme concentration of 2 × 10-4 mol/L. The fluorescence response of the biosensor exhibited a good linear relationship with the concentration of H2O2 in the range of 20 mΜ-300 µM and the detection limit of 10-8 mol/L.


Subject(s)
Aquatic Organisms , Biosensing Techniques , Chitosan/chemistry , Hydrogen Peroxide/chemistry , beta-Cyclodextrins/chemistry , Animals , Hydrophobic and Hydrophilic Interactions , Spectrometry, Fluorescence , Spectroscopy, Fourier Transform Infrared , X-Ray Diffraction
11.
Mar Drugs ; 15(5)2017 Apr 28.
Article in English | MEDLINE | ID: mdl-28452963

ABSTRACT

Carboxymethyl chitosan (CMCS) microparticles are a potential candidate for hemostatic wound dressing. However, its low swelling property limits its hemostatic performance. Poly(γ-glutamic acid) (PGA) is a natural polymer with excellent hydrophilicity. In the current study, a novel CMCS/PGA composite microparticles with a dual-network structure was prepared by the emulsification/internal gelation method. The structure and thermal stability of the composite were determined by Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), and thermogravimetric analysis (TGA). The effects of preparation conditions on the swelling behavior of the composite were investigated. The results indicate that the swelling property of CMCS/PGA composite microparticles is pH sensitive. Levofloxacin (LFX) was immobilized in the composite microparticles as a model drug to evaluate the drug delivery performance of the composite. The release kinetics of LFX from the composite microparticles with different structures was determined. The results suggest that the CMCS/PGA composite microparticles are an excellent candidate carrier for drug delivery.


Subject(s)
Chitosan/analogs & derivatives , Polyglutamic Acid/analogs & derivatives , Chitosan/chemistry , Drug Carriers/chemistry , Drug Delivery Systems/methods , Kinetics , Photoelectron Spectroscopy/methods , Polyglutamic Acid/chemistry , Polymers/chemistry , Spectroscopy, Fourier Transform Infrared/methods , Thermogravimetry/methods , X-Ray Diffraction/methods
12.
Reprod Fertil Dev ; 28(6): 732-41, 2016 Apr.
Article in English | MEDLINE | ID: mdl-25354248

ABSTRACT

The mammalian spermatozoon acquires its fertilising potential during transit through the epididymis, where it interacts with epididymal luminal fluid proteins (the sperm maturation milieu). In order to highlight the epididymal-specific function of the rhesus monkey (Macaca mulatta) in sperm maturation, two-dimensional gel electrophoresis of epididymal luminal fluid proteins was followed by identification by Matrix-Assisted Laser Desorption/ Ionization Time of Flight Mass Spectrometry (MALDI-TOF/MS) or MALDI-TOF/TOF and revealed over five hundred spots, comprising 198 non-redundant proteins. Some mass spectrometric data were confirmed by western blotting identification. Some common epididymal fluid proteins were identified, such as clusterin, α-1-antitrypsin, malate dehydrogenase, L-lactate dehydrogenase B, α-1-acid glycoprotein 1 and α-mannosidase. More than 7% of all proteins were anti-oxidative, which might control oxidative stress within the male tract. When compared with bull and human epididymal luminal fluid proteins, those in the rhesus monkey had more overlap with the human, which provides evidence of a close evolutionary relationship between the rhesus monkey and man. This study provides new proteomic information on possible rhesus monkey epididymal functions and novel potential biomarkers for the noninvasive assessment of male fertility.


Subject(s)
Epididymis/metabolism , Gene Expression Regulation, Developmental , Macaca mulatta/physiology , Mucous Membrane/metabolism , Proteome/metabolism , Spermatogenesis , Spermatozoa/metabolism , Animals , Animals, Zoo , Blotting, Western/veterinary , Bodily Secretions/metabolism , China , Computational Biology , Electrophoresis, Gel, Two-Dimensional/veterinary , Epididymis/cytology , Evolution, Molecular , Gene Expression Profiling/veterinary , Hydrogen-Ion Concentration , Male , Mucous Membrane/cytology , Oxidative Stress , Species Specificity , Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization/veterinary , Spermatozoa/cytology , Tandem Mass Spectrometry/veterinary
14.
Hum Reprod ; 30(4): 861-9, 2015 Apr.
Article in English | MEDLINE | ID: mdl-25637620

ABSTRACT

STUDY QUESTION: Does a defect in the human sperm-located protein prostate and testis expressed 1 (PATE1) exist in both aged men and young asthenozoospermia patients? SUMMARY ANSWER: A defect in sperm PATE1 exists in both aged men and young asthenozoospermia patients, and an antibody against PATE1 can decrease human sperm motility and zona-free hamster oocyte penetration. WHAT IS KNOWN ALREADY: Both aged men and young asthenozoospermia patients have poor sperm quality. The PATE1 protein seems to mediate sperm-egg interactions; however, the mechanisms are still unknown. STUDY DESIGN, SIZE, DURATION: This was a case-control study including 60 young fathers (aged 28-32 years) and 60 aged fathers (68-72 years old) who donated semen by masturbation after 7 days of sexual abstinence. Comparative sperm proteome analysis from the young fathers and aged fathers was performed to discover key proteins. The target protein PATE1 was chosen and validated by western blotting and immunohistochemistry. Quantitative assessment of sperm PATE1 protein was performed on sperm from 60 young fathers, 60 aged fathers and 110 young asthenozoospermia patients. Furthermore, an antibody against PATE1 assay was used to test whether PATE1 participated in sperm motility and penetration of zona-free hamster egg. PARTICIPANTS/MATERIALS, SETTING, METHODS: Samples were pooled and separated by two-dimensional gel electrophoresis followed by identification by matrix-assisted laser desorption/ionization time of flight mass spectrometry. Western blotting and immunohistochemistry were used to validate the confidence of proteomic data. Sperm immunofluorescence quantification experiments disclosed whether the aged men indeed shared the same PATE1 defect with 110 young asthenozoospermia patients. The sperm motility test and penetration of zona-free hamster egg assay were performed for PATE1. MAIN RESULTS AND THE ROLE OF CHANCE: Twenty-two sperm proteins with significant differential expression between young adults and aged men were identified (P < 0.05, mean ratio >1.5), including 13 proteins with decreased expressions with aging. Based on bioinformatics, PATE1 was chosen for further study, and exhibited similar changes in expression level and localization on sperm from aged men and young asthenozoospermia patients. Antibody blocking revealed that PATE1 was involved in sperm-egg penetration and sperm motility. LIMITATIONS, REASONS FOR CAUTION: Before any clinical application of PATE1 as a biomarker for the diagnosis of male infertility, more cases should be used to evaluate confidence in this approach. WIDER IMPLICATIONS OF THE FINDINGS: This study revealed a common molecular basis underlying the decline in sperm quality in the natural aging process and in young men with asthenozoospermia. The data should greatly contribute to the development of molecular evaluation of sperm quality, and the diagnosis and treatment of asthenozoospermia. STUDY FUNDING/COMPETING INTERESTS: This work was supported by grants from the National Natural Science Foundation of China (NO. 81300533, 81370013 and 81000277) and Shandong Provincial Natural Science Foundation, China (ZR2013HQ002, ZR2014HQ068). The authors declare no competing financial interests.


Subject(s)
Aging , Asthenozoospermia/genetics , Asthenozoospermia/metabolism , Membrane Proteins/genetics , Adult , Age Factors , Aged , Animals , Antibodies/chemistry , Case-Control Studies , Cricetinae , Electrophoresis, Gel, Two-Dimensional , Female , Humans , Male , Oocytes/metabolism , Proteomics , Sperm Motility , Spermatozoa/metabolism , Testis/metabolism
15.
Proteome Sci ; 13: 20, 2015.
Article in English | MEDLINE | ID: mdl-26225126

ABSTRACT

BACKGROUND: The mouse epididymis performs an essential role in sperm maturation, but global protein expression data in mouse epididymis are still lacking. Here, we reported the first in-depth gel-based profiling of mouse epididymis proteome and established a 2-DE map. RESULTS: A total of 832 protein spots were detected in the reproducible gels, and 625 spots corresponding to 355 unique protein entries have been successfully identified by MALDI-TOF-MS. The confidence of proteome data was validated by Western blot. Functional annotations showed that these proteins were mainly related to general metabolism, antioxidant and structural molecule activity. Immunohistochemistry disclosed two structural proteins (myosin regulatory light polypeptide 9 and alpha-2 type I collagen) continuously expressed in the myoid cell since postpartum. CONCLUSION: This study provides a first-draft reference map of the mouse epididymis proteome, which will greatly expand the knowledge of the epididymal structural basis and contribute to the better understanding of those proteins in the process of mouse epididymal sperm maturation.

16.
J Imaging ; 10(9)2024 Sep 20.
Article in English | MEDLINE | ID: mdl-39330453

ABSTRACT

In this paper, a method for augmenting samples of side-scan sonar seafloor sediment images based on CBAM-BCEL1-INGAN is proposed, aiming to address the difficulties in acquiring and labeling datasets, as well as the insufficient diversity and quantity of data samples. Firstly, a Convolutional Block Attention Module (CBAM) is integrated into the residual blocks of the INGAN generator to enhance the learning of specific attributes and improve the quality of the generated images. Secondly, a BCEL1 loss function (combining binary cross-entropy and L1 loss functions) is introduced into the discriminator, enabling it to focus on both global image consistency and finer distinctions for better generation results. Finally, augmented samples are input into an AlexNet classifier to verify their authenticity. Experimental results demonstrate the excellent performance of the method in generating images of coarse sand, gravel, and bedrock, as evidenced by significant improvements in the Frechet Inception Distance (FID) and Inception Score (IS). The introduction of the CBAM and BCEL1 loss function notably enhances the quality and details of the generated images. Moreover, classification experiments using the AlexNet classifier show an increase in the recognition rate from 90.5% using only INGAN-generated images of bedrock to 97.3% using images augmented using our method, marking a 6.8% improvement. Additionally, the classification accuracy of bedrock-type matrices is improved by 5.2% when images enhanced using the method presented in this paper are added to the training set, which is 2.7% higher than that of the simple method amplification. This validates the effectiveness of our method in the task of generating seafloor sediment images, partially alleviating the scarcity of side-scan sonar seafloor sediment image data.

17.
Ultrason Sonochem ; 107: 106946, 2024 Jul.
Article in English | MEDLINE | ID: mdl-38852536

ABSTRACT

Low sensitivity octahydro-1,3,4,7-tetranitro-1,3,5,7-tetrazocine (HMX) has garnered significant attention from researchers due to its reduced shock sensitivity. However, the crystallization process poses challenges due to the high solidity and viscosity of the metastable α phase. Despite efforts to address this with additional energy sources like ultrasonic irradiation, prolonged exposure duration often results in small particle sizes, hindering the production of HMX with a consistent particle size distribution, thus limiting its applicability. To overcome these challenges, a method combining ultrasonic irradiation and trace H+ additive was proposed and investigated for their impact on the polymorphic transformation of HMX. The H+ additive was found to modify barriers, thus there was a lack of competitive driving force for the nucleation or growth of the metastable α form, thereby shortening the transformation pathway and duration. Moreover, the H+ additive significantly accelerated the nucleation rate of the ß form (67.7 orders of magnitude faster with 0.10 wt ‰ H+) and the growth rate of ß form HMX (5.8 orders of magnitude faster with 0.10 wt ‰ H+). While H+ additive alone was insufficient to induce spontaneous nucleation of the ß form, combining it with short-duration ultrasonic irradiation further promoted ß nucleation and shortened the polymorphic transformation duration (almost 20 orders of magnitude shorter). This rational approach led to effective control of the transformation process. The resulting low sensitivity HMX crystals exhibited varying mean sizes ranging from 20 to 340 µm, with purity exceeding 99.6 %, an apparent density greater than 1.8994 g/cm3, and few internal defects, fully meeting the requirements of low-sensitivity HMX, thus significantly expanding its potential applications. Our study sheds light on the mechanisms governing HMX polymorphic transformation in the presence of additives and ultrasonic irradiation, offering guidance for the rational control of this complex transformation.

18.
ACS Appl Mater Interfaces ; 16(1): 860-868, 2024 Jan 10.
Article in English | MEDLINE | ID: mdl-38151338

ABSTRACT

Due to the strong Coulomb interaction, in most polymer photocatalysts, electron-hole pairs exist in the form of excitons rather than free charge carriers. The giant excitonic effect is a key obstacle to generating free charge carriers. Therefore, effectively regulating the exciton effect is the first step to achieving optimized carrier separation. Here, we used C-ring/g-C3N4 as the prototypical model system to design a photocatalyst with a Na-coordination-induced trap state. We demonstrate that the excitons can be effectively dissociated into charge carriers by combining with the trap state formed by Na doping sites. Encouragingly, signals from the dissociation of excitons into carriers were observed by ultrafast transient spectroscopy. Benefiting from the enhanced exciton dissociation, Na-C/CN displayed a H2O2 production rate of 17.4 mmol·L-1·h-1 with an apparent quantum efficiency up to 26.9% at 380 nm, which is much higher than many other g-C3N4-based photocatalysts. This work explains the effect of cation doping on the exciton-carrier behavior in polymers. Also, it provides a new way to regulate the exciton effect.

19.
ACS Omega ; 9(30): 32687-32696, 2024 Jul 30.
Article in English | MEDLINE | ID: mdl-39100353

ABSTRACT

Given its role as a pivotal intermediate in octogen production, the thermal safety of DPT is of paramount importance due to its significant thermal hazard. To assess the potential thermal hazard associated with its decomposition, a nonisothermal DSC experiment and an ARC test were conducted. For the acquisition of more precise thermal decomposition kinetic parameters, the impact of various crucible types on the experimental outcomes was scrutinized. The DSC results indicate that the precise thermal decomposition process of DPT, an autocatalytic decomposition material, can be accurately ascertained by using a high-pressure sealed crucible test. The authentic thermal decomposition process of DPT encompasses two critical reactions: the decomposition of DPT itself and the secondary reaction and decomposition of its byproducts. A robust thermal decomposition kinetic model was established, integrating the findings from the DSC test results. Subsequently, the risk of thermal explosion during DPT storage was simulated by using a kinetic numerical simulation approach.

20.
Neurosci Lett ; 827: 137736, 2024 Mar 28.
Article in English | MEDLINE | ID: mdl-38513936

ABSTRACT

The Postural Instability/Gait Difficulty (PIGD) subtype of Parkinson's disease (PD) has a faster disease progression, a higher risk of cognitive and motor decline, yet the alterations of structural topological organization remain unknown. Diffusion Tensor Imaging (DTI) and 3D-TI scanning were conducted on 31 PD patients with PIGD (PD-PIGD), 30 PD patients without PIGD (PD-non-PIGD) and 35 Healthy Controls (HCs). Structural networks were constructed using DTI brain white matter fiber tractography. A graph theory approach was applied to characterize the topological properties of complex structural networks, and the relationships between significantly different network metrics and motor deficits were analyzed within the PD-PIGD group. PD-PIGD patients exhibited increased shortest path length compared with PD-non-PIGD and HCs (P < 0.05, respectively). Additionally, PD-PIGD patients exhibited decreased nodal properties, mainly in the cerebellar vermis, prefrontal cortex, paracentral lobule, and visual regions. Notably, the degree centrality of the cerebellar vermis was negatively correlated with the PIGD score (r = -0.390; P = 0.030) and Unified Parkinson's Disease Rating Scale Part III score (r = -0.436; P = 0.014) in PD-PIGD patients. Furthermore, network-based statistical analysis revealed decreased structural connectivity between the prefrontal lobe, putamen, supplementary motor area, insula, and cingulate gyrus in PD-PIGD patients. Our findings demonstrated that PD-PIGD patients existed abnormal structural connectomes in the cerebellar vermis, frontal-parietal cortex and visual regions. These topological differences can provide a topological perspective for understanding the potential pathophysiological mechanisms of PIGD in PD.


Subject(s)
Gait Disorders, Neurologic , Motor Cortex , Parkinson Disease , Humans , Parkinson Disease/diagnostic imaging , Diffusion Tensor Imaging , Magnetic Resonance Imaging/methods , Brain/diagnostic imaging , Gait , Postural Balance/physiology
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