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Experimental verification of turbidity tolerance of stereo-vision-based 3D pose estimation system
摘要： This paper presents the verification of the turbidity tolerance of a stereo-vision-based 3D pose estimation system for underwater docking applications. To the best of the authors’ knowledge, no studies have yet been conducted on 3D pose (position and orientation) estimation against turbidity for underwater vehicles. Therefore, the effect of turbidity on the 3D pose estimation performance of underwater vehicles and a method of operating under turbid conditions were studied in this work. A 3D pose estimation method using the real-time multi-step genetic algorithm (RM-GA) proposed by the authors in the previous works shows robust pose estimation performance against changing environmental conditions. This paper discusses how and why the RM-GA is well suited to effective 3D pose estimation, even when turbid conditions disturb visual servoing. The experimental results confirm the performance of the proposed 3D pose estimation system under different levels of turbidity. To demonstrate the practical usefulness of the RM-GA, docking experiments were conducted in a turbid pool and a real sea environment to verify the performance and tolerance of the proposed system under turbid conditions. The experimental results verify the robustness of the system against turbidity, presenting a possible solution to a major problem in the field of robotics.
关键词： Robustness against turbidity,Real-time multi-step genetic algorithm,Sea docking,3D pose estimation,Stereo-vision,Visual servoing
更新于2025-09-23 15:23:52
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Structure/Function/Dynamics of Photosystem II Plastoquinone Binding Sites
摘要： Photosystem II (PSII) continuously attracts the attention of researchers aiming to unravel the riddle of its functioning and efficiency fundamental for all life on Earth. Besides, an increasing number of biotechnological applications have been envisaged exploiting and mimicking the unique properties of this macromolecular pigment-protein complex. The PSII organization and working principles have inspired the design of electrochemical water splitting schemes and charge separating triads in energy storage systems as well as biochips and sensors for environmental, agricultural and industrial screening of toxic compounds. An intriguing opportunity is the development of sensor devices, exploiting native or manipulated PSII complexes or ad hoc synthesized polypeptides mimicking the PSII reaction centre proteins as biosensing elements. This review offers a concise overview of the recent improvements in the understanding of structure and function of PSII donor side, with focus on the interactions of the plastoquinone cofactors with the surrounding environment and operational features. Furthermore, studies focused on photosynthetic proteins structure/function/dynamics and computational analyses aimed at rational design of high-quality bio-recognition elements in biosensor devices are discussed.
关键词： plastoquinone binding site,molecular dynamics simulations,plastoquinone,Molecular docking,protein dynamics,Photosystem II
更新于2025-09-23 15:22:29
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Theoretical Studies into the Spectral Characteristics, Biological Activity, and Photovoltaic Cell Efficiency of Four New Polycyclic Aromatic Chalcones
摘要： In the present work, (E)-1-(4,400-difluoro-50-methoxy-1,10:30,100-terphenyl-40-yl)-3-phenylprop-2-en-1-one (DFTP), (2E)-1-(4,400-difluoro-50-methoxy-1,10:30,100-terphenyl-40-yl)-3-(4-fluorophenyl)prop-2-en-1-one (TFTP), (2E)-3-(4-bromophenyl)-1-(4,400-difluoro-50-methoxy-1,10:30,100-terphenyl-40-yl)-prop-2-en-1-one (BFTP), and (E)-1-1(4,400-difluoro-50-methoxy-1,10:30-100-terphenyl-40-yl)-3-(4-methylphenyl)prop-2-en-1-one (FMTP) have been synthesized and vibrational wavenumbers and electronic properties have also been performed. The compound series shows good light harvesting properties and photovoltaic modeling shows that they can be used successfully in DSSCs as photo sensitizers. The NLO activity of the title compounds have been investigated and b and c values varies in the order BFTP > FMTP > TFTP > DFTP. The consequences which were made by electron donor acceptor due to charge transfer mechanism have been scrutinized by the natural bond investigation. Molecular docking has been performed to understand the binding interactions of the analyzed ligands with tyrosine-protein kinase JAK2 and these compounds can be developed as anticancer agent.
关键词： terphenyl,DSSC,DFT,MEP,docking,FT-IR
更新于2025-09-23 15:21:01
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Enhanced Emission of Zinc Nitride Colloidal Nanoparticles with Organic Dyes for Optical Sensor and Imaging Application
摘要： Herein, we reported on the efficiency of inorganic Zn3N2 nanoparticle for labelling plant cells and animal cells towards imaging applications with negligible toxicity. We have synthesized zinc nitride (Zn3N2) colloidal nanoparticles of average size of 25nm at room temperature. The optical bandgap of the prepare Zn3N2 nanoparticles is 2.8 eV and gives a visible range emission at 415 nm. With an addition of Zn3N2 colloids to organic dyes such as protoporphyrin, flavin adenine dinucleotide (FAD), fluorescein and neutral red, the emission intensity of the organic dyes enhanced from 3 to 20 times. The molecular simulation and lifetime studies evidences the possibility of energy transfer from zinc nitride to the organic dyes. The enhancement of dye intensity in the presence of Zn3N2, enhanced the vicinity of cellular environment during confocal imaging of plant cell and animal cells. The detailed results suggested Zn3N2 for bioimaging and biosensor application.
关键词： Spectroscopy,Zinc,Docking,Sensor,Imaging
更新于2025-09-23 15:21:01
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Synthesis and photophysics of benzazole based triazoles with amino acid-derived pendant units. Multiparametric optical sensors for BSA and CT-DNA in solution
摘要： Herein we report the synthesis of a series of amino acid-derived triazoles by an organocatalytic cycloaddition reaction between azides and carbonyl compounds, catalyzed by a simple amine. These compounds present absorption maxima located in the UV-B ascribed to fully spin and symmetry allowed electronic transitions and a main fluorescence emission in the UV-A (~380 nm) with a relatively large Stokes shift (5700 cm-1). No significant solvatochromism was observed in both ground and excited states. Unexpectedly, the benzoxazole derivatives presented much higher fluorescence quantum yield values (40-80%) of compared to the sulfur analogues (3-6%). In addition, the DNA binding assays indicated that these compounds presented strong interaction with CT-DNA, which could be attributed to π-stacking and intermolecular hydrogen-bonding. The interaction of the benzazoles with bovine serum albumin (BSA) was also investigated, where a suppression mechanism was observed. In each case, docking was performed to better understand the observed interactions.
关键词： fluorescent sensor,DNA intercalation,protein detection,amino acid-derived triazole,docking studies
更新于2025-09-23 15:19:57
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Light Processing Enables Efficient Carbon-Based, All-Inorganic Planar CsPbIBr <sub/>2</sub> Solar Cells with High Photovoltages
摘要： Mycobacterium tuberculosis (Mtb) protein tyrosine phosphatase B (MptpB) is an important virulence factor for Mtb that contributes to survival of the bacteria in macrophages. The absence of a human ortholog makes MptpB an attractive target for new therapeutics to treat tuberculosis. MptpB inhibitors could be an effective treatment to overcome emerging TB drug resistance. Adopting a structure-based virtual screening strategy, we successfully identified thiobarbiturate-based drug-like MptpB inhibitor 15 with an IC50 of 22.4 μM, and as a non-competitive inhibitor with a Ki of 24.7 μM. Importantly, not only did it exhibit moderate cell membrane permeability, compound 15 also displayed potent inhibition of intracellular TB growth in the macrophage, making it an excellent lead compound for anti-TB drug discovery. To the best of our knowledge, this novel thiobarbiturate is the first class of MptpB inhibitor reported so far that leveraged docking- and pharmacophore-based virtual screening approaches. The results of preliminary structure-activity relationship demonstrated that compound 15 identified herein was not a singleton and may inspire the design of novel selective and drug-like MptpB inhibitors.
关键词： Docking,Tuberculosis,Thiobarbiturate scaffold,MptpB inhibitor,Virtual screening,Pharmacophore
更新于2025-09-11 14:15:04
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A plasmonic ellipse resonator possessing hybrid modes for ultracompact chipscale application
摘要： Data mining methods based on machine learning play an increasingly important role in drug design and discovery. In the current work, eight machine learning methods including decision trees, k- Nearest neighbor, support vector machines, random forests, extremely randomized trees, AdaBoost, gradient boosting trees, and XGBoost were evaluated comprehensively through a case study of ACC inhibitor data sets. Internal and external data sets were employed for cross- validation of the eight machine learning methods. Results showed that the extremely randomized trees model performed best and was adopted as the first step of virtual screening. Together with structure- based virtual screening in the second step, this combined strategy obtained desirable results. This work indicates that the combination of machine learning methods with traditional structure- based virtual screening can effectively strengthen the ability in finding potential hits from large compound database for a given target.
关键词： molecular docking,machine learning,extremely randomized trees,ACC inhibitors
更新于2025-09-11 14:15:04