{"title":"Exploring Nonlinear Optical Properties of Doped GaAs Quantum Dot in View of Confinement Ratio","authors":"Soumyajit Beltharia, Manas Ghosh, Bhaskar Bhakti","doi":"10.1002/slct.74392","DOIUrl":"https://doi.org/10.1002/slct.74392","url":null,"abstract":"<div>\u0000 \u0000 <p>Present work explores the oscillator strength (OS) and two nonlinear optical (NLO) properties of <i>GaAs</i> quantum dot (QD) doped with impurity. The NLO properties are total optical absorption coefficient (TOAC) and total optical refractive index change (TORIC). The study scrutinizes how the interplay between Gaussian white noise and the confinement ratio (CFR) governs the above properties. The said interplay profoundly depends on the mode of application of noise to the QD system. Both peak values and peak shifts of TOAC and TORIC are affected by the above interplay in a delicate manner. Moreover, applied noise suppresses the NLO properties relative to the noise-free state, and the extent of suppression depends on the noise mode. Achievement of a substantial NLO response requires keeping the CFR in the vicinity of certain ranges of values. However, these ranges also depend on the presence of noise and its mode of incorporation.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148910001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Selective and Sensitive Detection of Butylated Hydroxyanisole With Manganese Hexacyanoferrate Graphene Composite Electrode","authors":"Varsha S. Pawar, Vrushali S. Raut","doi":"10.1002/slct.74452","DOIUrl":"https://doi.org/10.1002/slct.74452","url":null,"abstract":"<div>\u0000 \u0000 <p>A manganese hexacyanoferrate (MnHCF)-modified graphene composite electrode was fabricated using a novel approach. Amine-functionalized graphene powder was used to prepare electrodes, and the surface was further modified with a thin MnHCF film. The resulting modified electrode exhibited excellent electrocatalytic activity toward the oxidation of butylated hydroxyanisole (BHA) under optimized conditions, displaying a linear response in the concentration range of 7.9 × 10<sup>−7</sup> to 1.9 × 10<sup>−4</sup> M with a correlation coefficient of 0.9988. The limit of detection was determined to be 1.24 × 10<sup>−7</sup> M. Electrocatalytic oxidation of BHA at the modified electrode occurred at a significantly lower oxidation potential and over a wider pH range. The applicability of the modified electrode as an amperometric sensor for BHA determination was assessed through chronoamperometric experiments, demonstrating excellent stability and prolonged shelf life. Furthermore, the electrode was successfully applied for the determination of BHA in spiked real samples. The proposed method offers several advantages, including simple electrode fabrication, high stability, long operational life, low cost, and broad applicability for BHA determination.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"C4Ae (Ae = Be–Ba) Cluster: Planar Tetracoordinate Alkaline Earth Metals and Involvement of d-Orbitals for Heavier Alkaline Earth Metals","authors":"Palash J. Thakuria, Amit Das, Ankur K. Guha","doi":"10.1002/slct.74503","DOIUrl":"https://doi.org/10.1002/slct.74503","url":null,"abstract":"<div>\u0000 \u0000 <p>Planar hypercoordination in s-block metals involving covalent bonding is a rare phenomenon. Herein, we report 18 valence-electron-neutral C<sub>4</sub>Ae (Ae = Be, Mg, Ca, Sr, Ba) clusters based on density functional and ab initio methods, which feature planar tetracoordinate alkaline earth metals (ptAe) in <i>C<sub>2V</sub></i> symmetric global minimum geometries. The global minima <i>C<sub>2V</sub></i> geometries are well defined in the potential energy surface, that is, the closest minimum lies significantly higher in energy. All the Ae-C bonds are dominated by electrostatic contribution with non-negligible covalent character. Involvement of d-orbital participation of heavier alkaline-earth metals (Ca, Sr, Ba) in covalent bonding justifies them as “honorary transition metals”. Conceptual density functional theory (CDFT) predicts that ptBe has the highest hardness and is chemically less reactive.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Design, Synthesis, Structural Characterization and Comprehensive Electrochemical and In Situ Spectroelectrochemical Investigation of Heterocyclic Ring-Containing Quinone Derivatives","authors":"Nahide Gulsah Deniz, Abdullah Jehto, Cigdem Sayil, Zehra Kurtuluş, Atıf Koca","doi":"10.1002/slct.74434","DOIUrl":"https://doi.org/10.1002/slct.74434","url":null,"abstract":"<div>\u0000 \u0000 <p>Naphthoquinone derivatives (NQ) are an important class of functional materials widely used in various biological applications, such as active pharmaceutical ingredients and anticancer agents. NQ were synthesized, and their electrochemical properties were examined in detail. The rationale for selecting heteroatom ring substituents is to facilitate electron transfer reactions in NQ and ensure they occur reversibly at lower potentials. The electrochemical and optoelectronic responses of NQ were determined with different voltammetric and spectroelectrochemical (SEC) techniques. The electrochemical analyses indicated that all compounds illustrated common couples that were influenced by the type of substituents and the solvent of the electrolyte. While NQ had reversible couples, subsequent chemical reactions observed after the couples influenced the chemical stability of the anionic species. The tendency of the chemical reactions was also influenced by the substituents and the solvent of the electrolyte. The intense spectral changes during the reduction reactions caused prominent color changes, which indicated electrochromic functionality of these quinones. These voltammetric responses showed that the preferred redox responses can be tailored by using proper substituents on the NQ ring. Here, the fact that the NQ exhibits reversible reduction properties at low potentials suggests that it can be used as the best oxidant among these compounds.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Electrochemical Sensing of Environmental Pollutant Catechol Using Poly(4-Nitroanline) and Horseradish (HRP) Peroxidase Enzyme","authors":"Amal N. Alanazi","doi":"10.1002/slct.74417","DOIUrl":"https://doi.org/10.1002/slct.74417","url":null,"abstract":"<div>\u0000 \u0000 <p>A simple and efficient electrochemical sensing method for catechol (CC), a hazardous environmental pollutant, was developed using a reduced poly-4-nitroaniline (P-4NA-red) and horseradish peroxidase (HRP)-modified glassy carbon electrode (GCE). The modification process involved two main steps: initially, poly-4-nitroaniline was electrochemically deposited onto the electrode surface, followed by the incorporation of HRP enzyme, which facilitated the electrochemical interaction with CC. The electrochemical behavior of CC on the modified electrode was thoroughly investigated using cyclic voltammetry (CV) and differential pulse voltammetry (DPV), both of which provided detailed insights into its redox properties. Under optimized conditions, the sensor displayed excellent selectivity for CC, distinguishing it effectively from other potential interferences. The electrochemical sensor exhibited a linear detection range for CC concentrations between 1 and 100 µM, with a sensitivity of 2.8 µA/M, making it highly sensitive for CC detection. This approach offers a promising, cost-effective, and efficient method for CC sensing, particularly in complex samples.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ngoc Chuc Pham, Ha Chi Nguyen, Vu Ngoc Mai Nguyen, Quang Khieu Dinh, Minh Phuong Nguyen, Quang Bac Nguyen, Thi Ha Chi Nguyen, Minh Tri Truong, Ngoc Nhiem Dao, Trung Kien Nguyen
{"title":"Elucidating Visible-Light Photocatalytic Degradation of Organophosphorus Residues Over Reduced Graphene Oxide/Iron-Manganese Mixed Oxides Composite","authors":"Ngoc Chuc Pham, Ha Chi Nguyen, Vu Ngoc Mai Nguyen, Quang Khieu Dinh, Minh Phuong Nguyen, Quang Bac Nguyen, Thi Ha Chi Nguyen, Minh Tri Truong, Ngoc Nhiem Dao, Trung Kien Nguyen","doi":"10.1002/slct.74435","DOIUrl":"https://doi.org/10.1002/slct.74435","url":null,"abstract":"<div>\u0000 \u0000 <p>In this work, a ternary Fe<sub>2</sub>O<sub>3</sub>/Mn<sub>2</sub>O<sub>3</sub>/reduced graphene oxide (FM/rGO) composite was prepared via a rapid microwave-assisted coprecipitation method. The engineered composite exhibited exceptional visible-light-driven photocatalytic activity as compared to both single Fe<sub>2</sub>O<sub>3</sub> and Fe<sub>2</sub>O<sub>3</sub>/Mn<sub>2</sub>O<sub>3</sub> (FM) heterojunction, achieving nearly complete degradation of parathion, a resistant organophosphorus pollutant, within 60 min accompanied by a remarkable mineralization (∼86% TOC removal). Kinetic analysis confirmed that the degradation complies with a pseudo-first-order model with a significant rate of 0.0597 min<sup>−1</sup>. Comprehensive photoelectrochemical measurements revealed that the Type-I FM heterojunction and the highly conductive rGO network facilitate efficient charge transfer. Interestingly, the coexistence of mixed-valence transition metals (Fe<sup>3+</sup>/Fe<sup>2+</sup> and Mn<sup>3+</sup>/Mn<sup>2+</sup>) alongside a high density of π bonds in rGO carriers served as dynamic electron traps, effectively accelerating spatial charge separation and suppressing electron-hole recombination. Radical scavenging and GC-MS analyses identified critical roles of hydroxyl radicals (•OH) for the P─O–aryl bond cleavage. Furthermore, the FM/rGO composite demonstrated practical magnetic recoverability and outstanding cyclic stability, providing a robust and highly efficient photocatalytic platform for hazardous pollutant remediation.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Bifunctional Phosphoramidic Acid Functionalized Magnetic Nanocatalyst for One-Pot Synthesis of 1H-Naphtho[1,2-e][1,3]oxazine","authors":"Dnyaneshwar Pacharne, Pushpendra Rai","doi":"10.1002/slct.74476","DOIUrl":"https://doi.org/10.1002/slct.74476","url":null,"abstract":"<div>\u0000 \u0000 <p>A bifunctional magnetic nanocatalyst, Fe<sub>3</sub>O<sub>4</sub>-L-proline-PO<sub>3</sub>H<sub>2</sub>, was developed and applied for the efficient one-pot synthesis of 1H-naphtho[1,2-e][1,3]oxazine derivatives through a multicomponent reaction of β-naphthol, pyrazin-2-amine, aromatic aldehydes, and formaldehyde. The catalyst was designed to combine accessible Brønsted acidic phosphoramidic acid sites with the organocatalytic functionality of L-proline, providing a cooperative acidic-basic environment for substrate activation. Structural and morphological characterization confirmed the successful functionalization of the Fe<sub>3</sub>O<sub>4</sub> magnetic core and the formation of nanoscale particles. Under optimized solvent-free conditions, the catalyst afforded the desired naphthooxazine derivatives in good to excellent yields (80%–93%) without isolation of the Betti base intermediate. The magnetic catalyst was readily recovered by external magnetic separation and reused for four consecutive cycles with acceptable retention of catalytic activity. The combination of one-pot synthesis, operational simplicity, catalyst recyclability, and reduced solvent consumption highlights the potential of this bifunctional magnetic catalyst as a sustainable approach for the synthesis of biologically relevant naphthooxazine scaffolds.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Directed Capillary Self-Assembly of Mono- and Multi-Material Micropillar Arrays Fabricated by Two-Photon Polymerization","authors":"Keynaz Kamranikia, Niklas Kube, Quentin Bauerlin, Joana Wernain, Marc Keller, Tatiana Petithory, Aissam Airoudj, Karine Mougin, Arnaud Spangenberg","doi":"10.1002/slct.74477","DOIUrl":"https://doi.org/10.1002/slct.74477","url":null,"abstract":"<div>\u0000 \u0000 <p>Surfaces coated with microfilaments, such as micropillars, are of interest thanks to their large surface area and surface topography distinct from the underlying substrate. Micropillars are prone to capillary self-assembly during the development process. It is possible to direct these forces to obtain a highly controllable hierarchical microstructure. Previous works presented directed capillary assembly of micropillars for periodic pillar arrays obtained by molding or two-photon polymerization (TPP). However, these arrays were manufactured using a single power and are therefore only showing a uniform assembly. In this work, inspired by the concept of grayscale lithography, the fabrication of hierarchical architectures is achieved by combining TPP with controlled capillary force assembly by solvent evaporation. This also allows obtaining multi material pillar arrays by sequential fabrication. Various assemblies of polymeric micropillars with different geometric configurations can be achieved by adjusting the height or arrangement of micropillars, as well as by changing the printing parameters, such as laser power and printing speed to guide capillary force. This mechanical tunable self-assembly of microstructures can be used for surface modification applications, micro-optics, trapping of microparticles and microfluidics.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148910000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"First-Principles Study of Ag2InGaTe4 and Related Tellurides as High-Efficiency Solar Absorber Materials","authors":"Chahrazed Bourahla, Insaf Chebbab, Fafa Chiker, Najet Baki, Houari Khachai, Redouane Miloua, Rabah Khenata, Hamad Rahman Jappor, Bakhtiar Ul Haq, Se-Hun Kim, Waleed Ahmed, Saad Bin-Omran","doi":"10.1002/slct.74441","DOIUrl":"https://doi.org/10.1002/slct.74441","url":null,"abstract":"<div>\u0000 \u0000 <p>This study employs first-principles calculations to explore the structural, electronic, and optical coating properties of Ag-based ternary and quaternary chalcogenide compounds. Elastic constants satisfy all Born stability criteria, and the Pugh ratio <i>B/G</i>, with values exceeding 2, classifies all studied compounds as inherently stable and ductile materials. The findings indicate that all compounds investigated are direct bandgap semiconductors, with bandgap values of 0.963 eV for AgGaTe<sub>2</sub>, 0.736 eV for AgInTe<sub>2</sub>, 0.49 eV for Ag<sub>2</sub>CdSnTe<sub>4</sub>, and 0.868 eV for Ag<sub>2</sub>InGaTe<sub>4</sub>. Analysis of optical properties shows that all thin-films demonstrate high absorbance (∼75%) in the visible spectrum for film thicknesses greater than 1600 nm. Additionally, the computed absorption coefficients, approximately 10<sup>4</sup> cm<sup>−1</sup>, affirm the strong light-harvesting capability of these materials, making them promising candidates for solar cell absorber layers. The spectroscopic limited maximum efficiency (SLME) was assessed, revealing a significant increase for wavelengths beyond 500 nm, with maximum theoretical efficiencies of 29.22% for AgGaTe<sub>2</sub>, 24.30% for AgInTe<sub>2</sub>, and 27.91% for Ag<sub>2</sub>InGaTe<sub>4</sub>, all aligning with optimal bandgap values between 0.73 and 1.0 eV. These results indicate that the newly investigated quaternary compound Ag<sub>2</sub>InGaTe<sub>4</sub> displays exceptional optoelectronic properties, indicating its potential as a strong candidate for thin-film solar cell applications.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148910006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. Vinodhini, M. Ganesan, S. Sindhu, S. Arockiasamy, Shobhana Krishnaswamy
{"title":"Synthesis, Crystal Structure, DFT Studies, and Antimicrobial Evaluation of a Square Planar Nickel(II) Schiff Base Complex","authors":"S. Vinodhini, M. Ganesan, S. Sindhu, S. Arockiasamy, Shobhana Krishnaswamy","doi":"10.1002/slct.74481","DOIUrl":"https://doi.org/10.1002/slct.74481","url":null,"abstract":"<div>\u0000 \u0000 <p>We report the synthesis, structural elucidation, and physicochemical evaluation of a bis{2-methoxy-6-[(butylimino)methyl]phenolato}nickel (II) complex. Single-crystal x-ray diffraction (SCXRD) revealed that the complex crystallizes in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i> with a square planar geometry. Spectroscopic techniques (UV–vis, FT–IR, NMR) and mass spectrometry confirmed its monomeric nature (<i>m/z</i> = 471.17) and validated the azomethine (C═N) linkage at 1612 cm<sup>−1</sup>. Thermogravimetric analysis (TGA) showed high thermal stability up to 215°C. Density functional theory (DFT) calculations indicated remarkable kinetic stability via a wide HOMO−LUMO energy gap (ΔE = 3.43 eV). Hirshfeld surface analysis (HSA) and noncovalent interaction (NCI) plots showed crystal packing stabilized by H···H (65.6%), C···H (23%), and O···H (7.9%) van der Waals and weak hydrogen-bonding interactions. Antimicrobial screenings demonstrated significant efficacy against bacterial and fungal strains (MIC > 30 µg/mL). Molecular docking against microbial receptors (<i>Escherichia coli</i> 6F86, <i>Staphylococcus aureus</i> 2W9H, <i>Candida albicans</i> 2Y7L, and <i>Candida tropicalis</i> 8BH9) revealed high binding affinities driven by hydrogen bonding, electrostatic, and hydrophobic interactions, yielding sub-micromolar to nanomolar inhibition constants (<i>K</i><sub>i</sub>) against fungal targets 2Y7L and 8BH9. These findings highlight its usefulness for biomedical applications.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 35","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}