Molecular Systems Design & Engineering最新文献

{"title":"Computational screening analysis of iron zeolites for selectively capturing NOx and CO over H2O and CO2†","authors":"Ioannis Karamanis, David Dell'Angelo, Hubert Monnier and Michael Badawi","doi":"10.1039/D5ME00003C","DOIUrl":"https://doi.org/10.1039/D5ME00003C","url":null,"abstract":"<p >This work aims at shedding light on the capture mechanisms of toxic atmospheric pollutants by zeolites. A comprehensive computational investigation has been conducted to evaluate the interaction energies of NO, NO<small>₂</small>, CO, CO<small>₂</small>, and H<small>₂</small>O with Fe<small>²⁺</small> supporting both chabazite and mordenite zeolites using periodic density functional theory calculations. Si/Al ratio sets of {11, 5, 3} and {23, 11, 5} have been respectively chosen for chabazite and mordenite. Our findings show that both systems exhibit a thermodynamic preference for bonding NO and NO<small>₂</small> over H<small>₂</small>O and CO<small>₂</small>. Moreover, <em>ab initio</em> molecular dynamics simulations at 300 K for the Fe-chabazite system with Si/Al = 3 confirm the adsorption of NO, NO<small>₂</small> and CO even in the presence of H<small>₂</small>O molecules, and the radial distribution function was employed to understand how steam affects NO, NO<small>₂</small> and CO bonding. CO<small>₂</small> co-adsorption was eventually neglected in our study due to its low interaction energy. Finally, Bader charges and charge density differences were calculated to analyze bond elongation after adsorption and account for the regeneration of the substrate. Results show that low Si/Al ratios enhance the affinity for NO and NO<small>₂</small> and favour the regenerability of the adsorbent. This study demonstrates that the utilization of zeolites containing iron as the compensating cation presents promising potential as effective adsorbents for capturing NO<small>_<em>x</em></small> and CO in the presence of H<small>₂</small>O and CO<small>₂</small> originating from diesel engine emissions within confined work environments.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 10","pages":" 855-867"},"PeriodicalIF":3.2,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/me/d5me00003c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced thermal response of 3D-printed bilayer hydrogels via nanoclay incorporation†","authors":"Francis Klincewicz, Subhash Kalidindi, Siyuan Liu, Kritee Sangroula and LaShanda T. J. Korley","doi":"10.1039/D5ME00018A","DOIUrl":"10.1039/D5ME00018A","url":null,"abstract":"<p >There exist numerous opportunities to design stimuli-responsive bilayer hydrogels for enhanced actuation using simple and robust techniques. Specifically, digital light processing (DLP) 3D printing offers a robust technique for multi-layered hydrogel fabrication. However, nanocomposite hydrogels utilizing this technique have not yet been widely realized. Nanoclay incorporation has been shown to improve the actuation of poly(<em>N</em>-isopropyl acrylamide) (pNIPAAm) hydrogels; however, opportunities remain to study the relationship between clay morphology and thermal response, particularly in a 3D-printed bilayer system. In this work, we utilized an ethanol-water cosolvent, hydrogel precursor solution to incorporate montmorillonite (MMT) clay into 3D-printed pNIPAAm hydrogels. By varying the MMT loading, we demonstrated that a low loading of MMT (0.5 wt% relative to the mass of NIPAAm monomer) induced the greatest enhancement of the initial rate and final magnitude of actuation in the studied hydrogels. We utilized poly(2-hydroxyethyl acrylate) (pHEA) as a passive layer to form bilayers by sequentially printing pHEA before the pNIPAAm/MMT hydrogels, and used those hydrogels to demonstrate the accelerated actuation of 3D-printed pNIPAAm/MMT-pHEA bilayers compared to clay-free, pNIPAAm-pHEA bilayers. Through comparison to a mathematical framework and fabrication of an all-pNIPAAm bilayer, we suggested that the model has limitations for the prediction of bilayer curvature in these systems due to the inability of certain hydrogels to overcome the inertia of the passive layer. Overall, this work showcases the utility of MMT as a handle for tunability in 3D-printed pNIPAAm bilayer hydrogels.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 755-764"},"PeriodicalIF":3.2,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12153420/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144300747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Origins of curvature in meso-tetra(4-sulfonatophenyl) porphine aggregation: molecular dynamics and electronic spectroscopy†","authors":"Laura Baliulyte, Eimantas Urniezius, Vytautas Bubilaitis, Mindaugas Macernis, Lorenzo Cupellini and Darius Abramavicius","doi":"10.1039/D5ME00010F","DOIUrl":"https://doi.org/10.1039/D5ME00010F","url":null,"abstract":"<p > <em>meso</em>-Tetra(4-sulfonatophenyl) porphine (TPPS<small>₄</small>) is a significant theranostic agent for photodynamic therapy (PDT) and a model system of molecular nanowires. The zwitterionic forms of TPPS<small>₄</small> tend to form large chiral nanotubes in acidic conditions at pH ≈1. However, it is still not clear how these aggregates are structured at the molecular level. We describe a computational strategy to model the TPPS<small>₄</small> aggregation of small clusters using a molecular dynamics (MD) approach. Two possible forms of zwitterionic TPPS<small>₄</small> tetramers were considered, and their absorption and circular dichroism (CD) spectra were calculated using the Frenkel exciton model. Possible molecular packing is suggested as a candidate for the formation of large aggregates.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 8","pages":" 635-648"},"PeriodicalIF":3.2,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/me/d5me00010f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluating the density of organic compounds at variable temperatures by a norm descriptor-based QSPR model†","authors":"Yueji Wang, Yu Gu, Qiaoyan Shang, Qingzhu Jia, Qiang Wang, Yin-Ning Zhou and Fangyou Yan","doi":"10.1039/D5ME00035A","DOIUrl":"https://doi.org/10.1039/D5ME00035A","url":null,"abstract":"<p >Accurately predicting the density of organic compounds is essential in chemical engineering. This study develops a robust quantitative structure–property relationship (QSPR) model using a multiple linear regression (MLR) methodology, based on a comprehensive dataset of 5478 organic compounds and 23 866 data points to predict density over a broad temperature range (115.0 to 594.1 K). Notably, norm indices (NIs) are applied for QSPR modeling of organic compound density for the first time. The model demonstrates excellent predictive performance, with a squared correlation coefficient (<em>R</em><small>²</small>) of 0.9953 and a mean absolute error (MAE) of 10.11 kg m<small>⁻³</small>. Rigorous internal, external, and extrapolation validations are applied to confirm the model's reliability, accuracy, and generalization. The model achieves an <em>R</em><small>²</small> value of 0.9951 and a MAE of 9.31 kg m<small>⁻³</small> in external validation, while in internal validation using leave-one-out cross-validation, the corresponding values are 0.9951 and 10.51 kg m<small>⁻³</small>, respectively. Extrapolation validation, a novel approach recently introduced, further confirms the model's extrapolation ability, with most descriptors achieving the root mean square error (RMSE) of the test set (EV) values well below the training set's standard deviation (<em>σ</em><small>₉₅</small> = 140.89 kg m<small>⁻³</small>), closely aligning with RMSE<small>_test</small> (model). The RMSE of forward test exhibits a significant increase for NI<small>₈</small> and NI<small>₂₇</small> when the extrapolation degree (ED) exceeds 0.02, which suggests that it is not recommended to apply these two NIs for extrapolation. Overall, the results validate the robustness and broad applicability of the <em>ρ</em>(NI,<em>T</em>)-QSPR model, confirming its reliability for organic compound density prediction in industrial applications.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 776-789"},"PeriodicalIF":3.2,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The potential of microcrystalline cellulose-g-poly(itaconic acid) as α-tocopherol carrier material†","authors":"Ikhsan Ibrahim, Rachmawati Rachmawati and Mia Ledyastuti","doi":"10.1039/D5ME00023H","DOIUrl":"https://doi.org/10.1039/D5ME00023H","url":null,"abstract":"<p >According to the Food and Drug Administration (FDA), a drug is defined as a substance used for the mitigation, treatment, and therapy of a disease. In increasing the effectiveness of treatment, drugs need a carrier to produce a controlled delivery pattern. This study used microcrystalline cellulose-<em>graft</em>-poly(itaconic acid) copolymer as a drug carrier, while α-tocopherol was used as a drug model. The copolymer main chain is hydrophilic, while the side chains are hydrophobic. The amphiphilic structure can result in the formation of micelles. The success of copolymer synthesis was proven by the presence of a new peak in the infrared absorption band at 1645 cm<small>⁻¹</small>. The peak indicated the presence of a C<img>O group of itaconic acid grafted onto the main chain of microcrystalline cellulose. The molecular process of carrying α-tocopherol can be observed based on the results of molecular dynamics simulations. The carriage of α-tocopherol is characterized by a copolymer radial distribution function (RDF) peak at a range of 0.5–0.9 nm and a decrease in the solvent-accessible surface area (SASA). The drug release data were modeled using the exponential model (first-order kinetic), the Weibull model (fractal-like first-order kinetic), and the diffusion-based Higuchi model.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 765-775"},"PeriodicalIF":3.2,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Harnessing peptide–cellulose interactions to tailor the performance of self-assembled, injectable hydrogels†","authors":"Jessica A. Thomas, Alex H. Balzer, Subhash Kalidindi and LaShanda T. J. Korley","doi":"10.1039/D5ME00009B","DOIUrl":"10.1039/D5ME00009B","url":null,"abstract":"<p >Taking inspiration from natural systems, such as spider silk and mollusk nacre, that employ hierarchical assembly to attain robust material performance, we leveraged matrix–filler interactions within reinforced polymer–peptide hybrids to create self-assembled hydrogels with enhanced properties. Specifically, cellulose nanocrystals (CNCs) were incorporated into peptide–polyurea (PPU) hybrid matrices to tailor key hydrogel features through matrix–filler interactions. Herein, we examined the impact of peptide repeat length and CNC loading on hydrogelation, morphology, mechanics, and thermal behavior of PPU/CNC composite hydrogels. The addition of CNCs into PPU hydrogels resulted in increased gel stiffness; however, the extent of reinforcement of the nanocomposite gels upon nanofiller inclusion also was driven by PPU architecture. Temperature-promoted stiffening transitions observed in nanocomposite PPU hydrogels were dictated by peptide segment length. Analysis of the peptide secondary structure confirmed shifts in the conformation of peptidic domains (α-helices or β-sheets) upon CNC loading. Finally, PPU/CNC hydrogels were probed for their injectability characteristics, demonstrating that nanofiller–matrix interactions were shown to aid rapid network reformation (∼10 s) upon cessation of high shear forces. Overall, this research showcases the potential of modulating matrix–filler interactions within PPU/CNC hydrogels through strategic system design, enabling the tuning of functional hydrogel characteristics for diverse applications.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 8","pages":" 662-674"},"PeriodicalIF":3.2,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12128039/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Biodegradable glucosamine-amino acid-based ionic liquids as efficient water-based lubricant additives for green tribological chemistry†","authors":"Jing Yang, Xiao Liu, Chongyun Sun, Qiang Chen, Pingxia Guo, Kai Feng, Meirong Cai and Feng Zhou","doi":"10.1039/D5ME00036J","DOIUrl":"https://doi.org/10.1039/D5ME00036J","url":null,"abstract":"<p >Water-based lubricants demonstrate significant development potential in machining and automotive manufacturing industries owing to their environmental friendliness, safety profile, and ease of cleaning. In this study, two eco-friendly amino acid-based ionic liquids (AAILs), <em>N</em>-ethyl-<small>D</small>-glucamine-2-(<em>N</em>-methyldodecanamido) acetate acid (EDG-LS) and <em>N</em>-octyl-<small>D</small>-glucamine-2-(<em>N</em>-methyldodecanamido) acetate (ODG-LS), were synthesized using 2-(<em>N</em>-methyldodecanamido) acetic acid and glucosamine as raw materials. When AAILs were employed as water-based lubrication additives, the physicochemical characteristics, tribological performances, and lubrication mechanisms of the lubricants were systematically evaluated. The results of the cast iron tests demonstrate that adding just 1 wt% of AAIL additives can significantly reduce the corrosion of water. Moreover, EDG-LS exhibits superior friction reduction (69.9% decrease) and anti-wear properties (91.4% reduction) compared to water. The combined influence of physically adsorbed films and tribochemical reaction layers endows AAILs with outstanding tribological performance. Additionally, two kinds of AAILs exhibit favorable biodegradability, with a biodegradation rate approaching 60%. This research provides theoretical insights for creating eco-friendly, biodegradable, and multifunctional water-based lubricant additives.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 8","pages":" 649-661"},"PeriodicalIF":3.2,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DynaMate: leveraging AI-agents for customized research workflows","authors":"Orlando A. Mendible-Barreto, Misael Díaz-Maldonado, Fernando J. Carmona Esteva, J. Emmanuel Torres, Ubaldo M. Córdova-Figueroa and Yamil J. Colón","doi":"10.1039/D5ME00062A","DOIUrl":"https://doi.org/10.1039/D5ME00062A","url":null,"abstract":"<p >Developments related to large language models (LLMs) have deeply impacted everyday activities and are even more significant in scientific applications. They range from simple chatbots that respond to a prompt to very complex agents that plan, conduct, and analyze experiments. As more models and algorithms continue to be developed at a rapid pace, the complexity involved in building this framework increases. Additionally, editing these algorithms for personalized applications has become increasingly challenging. To this end, we present a modular code template that allows easy implementation of custom Python code functions to enable a multi-agent framework capable of using these functions to perform complex tasks. We used the template to build DynaMate, a complex framework for generating, running, and analyzing molecular simulations. We performed various tests that included the simulation of solvents and metal–organic frameworks, calculation of radial distribution functions, and determination of free energy landscapes. The modularity of these templates allows for easy editing and the addition of custom tools, which enables rapid access to the many tools that can be involved in scientific workflows.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 7","pages":" 585-598"},"PeriodicalIF":3.2,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/me/d5me00062a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144519600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bioinspired design rules for flipping across the lipid bilayer from systematic simulations of membrane protein segments†","authors":"ByungUk Park and Reid C. Van Lehn","doi":"10.1039/D5ME00032G","DOIUrl":"https://doi.org/10.1039/D5ME00032G","url":null,"abstract":"<p >The orientation of integral membrane proteins (IMPs) with respect to the membrane is established during protein synthesis and insertion into the membrane. After synthesis, IMP orientation is thought to be fixed due to the thermodynamic barrier for “flipping” protein loops or helices across the hydrophobic core of the membrane in a process analogous to lipid flip-flop. A notable exception is EmrE, a homodimeric IMP with an N-terminal transmembrane helix that can flip across the membrane until flipping is arrested upon dimerization. Understanding the features of the EmrE sequence that permit this unusual flipping behavior would be valuable for guiding the design of synthetic materials capable of translocating or flipping charged groups across lipid membranes. To elucidate the molecular mechanisms underlying flipping in EmrE and derive bioinspired design rules, we employ atomistic molecular dynamics simulations and enhanced sampling techniques to systematically investigate the flipping of truncated segments of EmrE. Our results demonstrate that a membrane-exposed charged glutamate residue at the center of the N-terminal helix lowers the energetic barrier for flipping (from ∼12.1 kcal mol<small>⁻¹</small> to ∼5.4 kcal mol<small>⁻¹</small>) by stabilizing water defects and minimizing membrane perturbation. Comparative analysis reveals that the marginal hydrophobicity of this helix, rather than the marginal hydrophilicity of its loop, is the key determinant of flipping propensity. Our results further indicate that interhelical hydrogen bonding upon dimerization inhibits flipping. These findings establish several bioinspired design principles to govern flipping in related materials: (1) marginally hydrophobic helices with membrane-exposed charged groups promote flipping, (2) modulating protonation states of membrane-exposed groups tunes flipping efficiency, and (3) interhelical hydrogen bonding can be leveraged to arrest flipping. These insights provide a foundation for engineering synthetic peptides, engineered proteins, and biomimetic nanomaterials with controlled flipping or translocation behavior for applications in intracellular drug delivery and membrane protein design.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 7","pages":" 567-584"},"PeriodicalIF":3.2,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144519604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Flame growth of nickel-based cocatalyst for efficient solar water splitting of BiVO4 photoanode†","authors":"Haohua Wang, Youyi Su, Xiangui Pang, Ming Zhang, Wufang Wang, Pingping Yang, Xinxin Lu and Jiale Xie","doi":"10.1039/D5ME00006H","DOIUrl":"https://doi.org/10.1039/D5ME00006H","url":null,"abstract":"<p >The low charge separation efficiency and slow water oxidation kinetics of bismuth vanadate (BiVO<small>₄</small>, BVO) limit its performance for solar water splitting. Here, a flame growth method has been developed to rapidly grow a nickel-based cocatalyst (NiO<small>_<em>x</em></small>) on the surface of the worm-like BVO films. After 20 s flame growth, the NiO<small>_<em>x</em></small> cocatalyst, which is comprised of Ni, NiO, and NiOOH, can be uniformly and rapidly synthesized. The NiO<small>_<em>x</em></small>/BVO composite photoanode achieves a photocurrent density of 3.80 mA cm<small>⁻²</small> at 1.23 V <em>vs.</em> RHE in a neutral electrolyte, which is 6.67 times higher than that of the pristine BiVO<small>₄</small>. Under the assistance of polyacrylamide hydrogel coating, the photocurrent of the NiO<small>_<em>x</em></small>/BVO photoanode can be well maintained at 62.26% after a 24 h long-term stability test. The performance improvement can be mainly attributed to the fact that the NiO<small>_<em>x</em></small> layer reduces the resistance of the charge transfer and the energy barrier of the oxygen evolution reactions, and introduces a large number of oxygen vacancies. This research confirms that the flame growth of cocatalysts is an efficient method for preparing the cocatalytic layer on the nanostructure photoelectrode, which can well maintain the nanostructures.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 8","pages":" 675-681"},"PeriodicalIF":3.2,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}