International Journal of Quantum Chemistry最新文献

{"title":"Spectroscopic, DFT, In Silico, and Estimation of Biological Activity of 2,4-Dichloro-6,7-Dimethoxyquinazoline as a Potential Anti-Alzheimer's Disease Therapeutic Agent","authors":"Karthikeyan Asokan,&nbsp;Sumathi Sivaraman,&nbsp;Karthik Nallasamy,&nbsp;Jeyavijayan Subbiah,&nbsp;Selvarengan Paranthaman","doi":"10.1002/qua.70006","DOIUrl":"https://doi.org/10.1002/qua.70006","url":null,"abstract":"<div>\u0000 \u0000 <p>Alzheimer's disease (AD) is a chronic neurodegenerative disorder characterized by progressive cognitive and behavioral decline. In this study, 2,4-dichloro-6,7-dimethoxyquinazoline (DCDQ) was extensively analyzed using a combination of spectroscopic and computational approaches. Geometric parameters and vibrational modes were computed using DFT/B3LYP/6-311++G(d,p), and experimental FT-IR, FT-Raman, and UV–vis spectrum confirmed the compound's structural properties. Time-dependent DFT (TD-DFT) calculations provided insights into the electronic structure, including HOMO-LUMO energies and global reactivity descriptors. Molecular electrostatic potential (MEP) analysis and Mulliken population studies identified reactive sites and bonding characteristics, while NBO analysis revealed significant hyperconjugative interactions contributing to stability. Advanced topological analyses (ELF, LOL, NCI, and RDG) and QTAIM studies were performed using Multiwfn software to explore the compound's electron density distribution. Biological relevance was established through molecular docking studies, which highlighted a strong binding affinity of DCDQ with the 4EY7 protein (binding energy: −8.2 kcal/mol), suggesting its potential as a potent acetylcholinesterase (AChE) inhibitor. Molecular dynamics simulations further validated the stability of the protein-ligand interaction. ADMET predictions also supported favorable pharmacokinetic and safety profiles of DCDQ. These findings collectively demonstrate the potential of DCDQ as a promising lead compound for the treatment of Alzheimer's disease, offering a solid foundation for future therapeutic development.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143120914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Configurational and Conformational Studies of Quinolizidine and Beta-Carboline Moieties in the Corynanthe-Tryptamine Alkaloids","authors":"Dmitry A. Grigoriev,&nbsp;Valentin A. Semenov,&nbsp;Luc Angenot,&nbsp;Leonid B. Krivdin","doi":"10.1002/qua.70008","DOIUrl":"https://doi.org/10.1002/qua.70008","url":null,"abstract":"<div>\u0000 \u0000 <p>Configurational and conformational assignments of 11 <i>Corynanthe-Tryptamine</i> alkaloids (usambarane skeleton) were performed based on the correlation of the high-level calculated and experimental ¹H and ¹³C NMR chemical shifts. For some compounds, the reassignment of a number of individual signals together with spectral assignment of experimentally unresolved peaks was suggested. The different conformations of the C/D quinolizidine ring system appear strictly dependent of the structure of the side chain (ethyl-, vinyl- or ethylidenic); in the latter case, the configuration (<i>E</i> or <i>Z</i>) of the 19-20 double bond of the ethylidenic chain is determinant to establish a <i>cis-</i> or a <i>trans</i>-quinolizidine system of rings C/D. The conformation is also influenced by the equatorial or axial conformation of (C15) substituents.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electronic and Magnetic Properties of Small Nickel Clusters Nin (n ≤ 15): First Principle Study","authors":"M. Chibani,&nbsp;S. Benamara,&nbsp;H. Zitoune,&nbsp;M. Lasmi,&nbsp;L. Benchalal,&nbsp;L. Lamiri,&nbsp;M. Samah","doi":"10.1002/qua.70007","DOIUrl":"https://doi.org/10.1002/qua.70007","url":null,"abstract":"<div>\u0000 \u0000 <p>Theoretical study on the structure and electronic properties of small Ni_<i>n</i> (<i>n ≤</i> 15) clusters has been carried out in the framework of density functional theory. The equilibrium geometries, the bond length, average binding energy, and magnetic moment per atom of these clusters were calculated in detail. The clusters constitute an intermediate state of matter between the isolated atoms and the massive condensed phase, and they do not mimic the bulk structure and shows significant geometrical changes with size. The binding energy per atom increases monotonically with size, and the magnetic moment oscillates with the size. The more stable structures are closed structures with inter atomic distances between 2.13 and 2.76 Å. The Ni₂, Ni₇, Ni₉, Ni₁₂, and Ni₁₄ clusters are more stable than their neighboring clusters, and the most favorable channel for nickel clusters is the Ni₁₄ cluster.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tuning the Triplet Formation Efficiency by Heavy-Atom Substitution in 3-Hydroxythiochromone","authors":"Anshuman Bera,&nbsp;Lekshmi R. Nair,&nbsp;Amjatha Siraj,&nbsp;Sivaranjana Reddy Vennapusa","doi":"10.1002/qua.70001","DOIUrl":"https://doi.org/10.1002/qua.70001","url":null,"abstract":"<div>\u0000 \u0000 <p>We theoretically studied the triplet formation efficiency in positional isomers of bromine-substituted 3-Hydroxythiochromones. Dynamics simulations with relevant spin-orbit coupling parameters show ultrafast triplet formation with S₁ as the donor singlet and upper triplet excited states as receiver states. The near-degeneracy of S₂ with S₁ promotes nonadiabatic population transfer from S₁ to S₂ in isomers with bromine substitution at the 5th position of the parent molecule. This population transfer unfurls an additional intersystem crossing pathway involving S₂ and T₄, enabling this isomer to show a higher triplet efficiency. The excited-state intramolecular proton transfer process, promoted by low barrier energy, is operative and can affect the isomers' triplet formation efficiency. Moreover, the timescales of proton transfer and triplet formation can overlap, necessitating thorough experimental investigations to uncover the competitiveness of these simultaneous events.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computing the Matching Polynomials and Independence Polynomials of Phenylene Chains","authors":"Hanlin Chen,&nbsp;Xiang Gao","doi":"10.1002/qua.70002","DOIUrl":"https://doi.org/10.1002/qua.70002","url":null,"abstract":"<div>\u0000 \u0000 <p>Phenylene, a significant structural motif in organic chemistry, exhibits remarkable electron delocalization and stability. In this paper, we first present reduction formulas for computing the matching polynomial and the independence polynomial of any phenylene chain using the transfer matrix technique. We then derive computational formulas for the Hosoya index and the Merrifield–Simmons index of phenylene chains. Additionally, we obtain the expected values of the Hosoya index and the Merrifield–Simmons index for a random phenylene chain.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fractional Approach for Diffusion Equations Arising From Oil Pollution Using the Fractional Natural Decomposition Method","authors":"Faruk Düşünceli,&nbsp;Ercan Çelik","doi":"10.1002/qua.27529","DOIUrl":"https://doi.org/10.1002/qua.27529","url":null,"abstract":"<div>\u0000 \u0000 <p>The main goal is to use the fractional natural decomposition approach to solve diffusion equations related to oil pollution. We examine a model that depicts the evolution of chemical processes in a network that burns helium. Elegant consolidations of nature transform with Adomian decomposition method are made possible by the Caputo operator with fractional order taken into consideration and hired algorithm. We looked at the expected model in a different sequence using fraction to show the expected algorithm's proficiency. Moreover, plots for various arbitrary orders have taken use of the physical characteristics of the obtained results. The obtained findings verify that the algorithm under consideration is highly efficient, methodical, straightforward to use, and accurate in examining the characteristics of the fractional differential system connected to related fields.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction to “First-Principles Quantum Analysis of Promising Double Perovskites Z2SiF6 (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties”","authors":"","doi":"10.1002/qua.27519","DOIUrl":"https://doi.org/10.1002/qua.27519","url":null,"abstract":"&lt;p&gt;K. Fatima, Z. Abbas, F. Butt, et al., “First-Principles Quantum Analysis of Promising Double Perovskites Z&lt;sub&gt;2&lt;/sub&gt;SiF&lt;sub&gt;6&lt;/sub&gt; (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties,” &lt;i&gt;International Journal of Quantum Chemistry&lt;/i&gt; 123, no. 18 (2023): e27179, https://doi.org/10.1002/qua.27179.&lt;/p&gt;&lt;p&gt;Previously, we added the approximate values of the threshold energies in the manuscript. However, now we have added different values for all threshold energies and also added insets in the figures to show difference between the curves of various compounds. Accordingly in this Correction we have reported the corrected versions of Figure 8, Table 5, and Figure 9.&lt;/p&gt;&lt;p&gt;&lt;/p&gt;&lt;p&gt;&lt;b&gt;FIGURE 9&lt;/b&gt; | (a) Reflectivity &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;R&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mi&gt;ω&lt;/mi&gt;\u0000 &lt;mo&gt;)&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ Rleft(omega right) $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;, (b) energy loss function &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;E&lt;/mi&gt;\u0000 &lt;mtext&gt;loss&lt;/mtext&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mi&gt;ω&lt;/mi&gt;\u0000 &lt;mo&gt;)&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ {E}_{mathrm{loss}}left(omega right) $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;, (c) real conductivity &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;σ&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mi&gt;ω&lt;/mi&gt;\u0000 &lt;mo&gt;)&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ sigma left(omega right) $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; and (d) absorption coefficient &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;I&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mi&gt;ω&lt;/mi&gt;\u0000 &lt;mo&gt;)&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ Ileft(omega right) $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; and for Z&lt;sub&gt;2&lt;/sub&gt;SiF&lt;sub&gt;6&lt;/sub&gt; (Z = K, Li, Na, Rb).&lt;/p&gt;&lt;p&gt;&lt;b&gt;TABLE 5&lt;/b&gt; | Calculated threshold values (eV) of optical parameters (&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;ε&lt;/mi&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;m","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/qua.27519","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143118016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative Structure-Property Relationship Analysis of Physical and ADMET Properties of Anticancer Drugs Using Domination Topological Indices","authors":"Geethu Kuriachan,&nbsp;Parthiban Angamuthu","doi":"10.1002/qua.27525","DOIUrl":"https://doi.org/10.1002/qua.27525","url":null,"abstract":"<div>\u0000 \u0000 <p>Chemical graph theory is an important field in mathematical chemistry that uses domination degree-based indices to convert the chemical structure of molecules into numerical values. These indices help investigate physico-chemical properties, pharmacokinetic properties, and biological activity in QSPR and QSAR studies. Among the most life-threatening diseases, cancer remains a major global health concern. Various anticancer drugs like Tegafur, Floxuridine, etc., are employed to combat different cancer types. This paper designs a QSPR model to predict selected physico-chemical and ADMET properties of these anticancer drugs using indices like the first, second, and modified first Zagreb domination topological index; forgotten, hyper, and modified forgotten domination topological index; and first, second, and modified first Zagreb <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>γ</mi>\u0000 </mrow>\u0000 <annotation>$$ gamma $$</annotation>\u0000 </semantics></math>-domination topological index; forgotten, hyper, and modified forgotten <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>γ</mi>\u0000 </mrow>\u0000 <annotation>$$ gamma $$</annotation>\u0000 </semantics></math>-domination topological index, via <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <msub>\u0000 <mrow>\u0000 <mi>ϕ</mi>\u0000 </mrow>\u0000 <mrow>\u0000 <mi>d</mi>\u0000 </mrow>\u0000 </msub>\u0000 </mrow>\u0000 <annotation>$$ {phi}_d $$</annotation>\u0000 </semantics></math>- and <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <msub>\u0000 <mrow>\u0000 <mi>ϕ</mi>\u0000 </mrow>\u0000 <mrow>\u0000 <mi>γ</mi>\u0000 </mrow>\u0000 </msub>\u0000 </mrow>\u0000 <annotation>$$ {phi}_{gamma } $$</annotation>\u0000 </semantics></math>-polynomials. The relationship analyzes for these properties with the domination degree-based indices are conducted using the inverse cubic regression method. The results can correlate with other properties, aiding in constructing a disease-based drug library.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868731","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Furan Substitution and Ring Fusion Strategies for Enhancing the Fluorescence Performance of Oligothiophene","authors":"Yaoxuan Zhang,&nbsp;Xiping Zhu,&nbsp;Shaohui Zheng","doi":"10.1002/qua.27528","DOIUrl":"https://doi.org/10.1002/qua.27528","url":null,"abstract":"<div>\u0000 \u0000 <p>Oligothiophenes have attracted a lot of attention due to their excellent photoelectric properties. However, the effects of ring fusion and furan substitution on the optoelectrical properties of oligothiophenes are still unclear. In this study, based on popular pentathiophene, eight molecules including three ring-fused and five furan-substituted derivatives are systematically designed, and their frontier molecular orbitals, dipole moments, planarity, exciton binding energy (<i>E</i>_b), singlet-triplet energy differences, and fluorescence quantum yields are calculated. The computed data demonstrate that full-ring fusion and two- and more-furan substitutions can greatly enhance the fluorescence quantum yields. Five potential molecules with about 100% of fluorescence quantum yield, i.e., TTTTT, SOSOS, OSOSO, SOOOS, and OOOOO, are screened. The results show that to obtain high fluorescence quantum yield, high <i>E</i>_b is required, and the flexible torsional displacement during the excitation from ground to the first excited state should be removed as much as possible. This work sheds some light on the future design of high-performance oligothiophene-based fluorescent materials.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Global Analytic Potential Energy Surface of PH2+ (13A″) and Dynamics Studies of the P+(3P) + D2 Reaction","authors":"Meirong Li,&nbsp;Xia Li,&nbsp;Zhiyong Yang,&nbsp;Ziliang Zhu,&nbsp;Wei Xing","doi":"10.1002/qua.70004","DOIUrl":"https://doi.org/10.1002/qua.70004","url":null,"abstract":"<div>\u0000 \u0000 <p>The global potential energy surface (PES) of PH₂⁺(1³A″) was constructed using permutation invariant polynomial neural network method based on 18 566 ab initio energy points. In ab initio calculation, aug-cc-pVQZ and aug-cc-pwCVQZ basis sets were used for H and P⁺, respectively. The topographic features of the PES were discussed in detail and compared with available theoretical and experimental values. The results indicate that the PES is well fitted by using neural network method. In addition, quasi-classical trajectory (QCT) calculations were carried out for the P⁺(³P) + D₂ reaction in the collision energy range from 1.2 to 8.0 eV. The integral cross sections were reported and compared with experimental data. The differential cross sections were also calculated, and it reflects that the “complex-forming” mechanism dominates the reaction in the low collision energy range, and direct abstraction mechanism plays a dominant role in the high collision energy range.</p>\u0000 </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}