Facile Route Research Articles

Novel pyrrole based triazole moiety as therapeutic hybrid: synthesis, characterization and anti-Alzheimer potential with molecular mechanism of protein ligand profile

As a springboard to explore novel potent inhibitors of cholinesterase enzymes (AChE and BChE) responsible for causing Alzheimer disorder, the current study was conducted to synthesize pyrrole derived triazole based Schiff base scaffolds by facile synthetic route. These compounds were validated by 1HNMR, 13CNMR and HREI-MS. All these scaffolds (1–16) were examined for their inhibitory activity against AChE and BChE in contrast to Donepezil (10.20 ± 0.10 and 10.80 ± 0.20 µM) and Allanzanthone (12.40 ± 0.10 and 13.10 ± 0.10 µM). All pyrrole derived triazole based Schiff base scaffolds (1–16) showed varied range of inhibitory potentials against acetylcholinesterase and butyrylcholinesterase enzymes with lowest inhibition concentration values ranging from 5.10 ± 0.40–27.10 ± 0.10 µM (for AChE) and 5.60 ± 0.30–28.40 ± 0.30 µM (for BChE). SAR analysis of these derivatives revealed analog 7 as lead molecule against targeted enzyme, while analog 6 and 11 were ranked as second and third most potent scaffolds. Binding affinity and selectivity of potent molecules against targeted enzymes were examined by molecular docking and obtained results showed that potent molecule have versatile significant binding interactions with stated enzymes. Furthermore, safety profiles of potent analogues were predicted via ADMET protocols.Graphical

Additive‐Free and Diastereoselective Synthesis for Trans‐Disubstituted‐2,3‐Dihydro‐Benzofurans via [4+1] Annulation between p‐QMs and TFISYs

AbstractAn additive‐free and diastereoselective [4+1] annulation between ortho‐hydroxyphenyl‐substituted para‐quinone methides and CF3‐substituted imidoyl sulfoxonium ylides is developed, providing a facile and practical route to diverse trans‐2,3‐dihydrobenzofurans with high efficiency. This protocol features mild conditions, broad substrate scope and easy to operate.

Hydrothermal Approach of Spinel Copper Cobaltite (CuCo2O4) Nanostructures and Their Structural and Functional Properties

CuCo2O4 nanoparticles were synthesized via facile hydrothermal route using oxalic as a precipitant, thermal decomposition of CuCo2O4 precursor at 400[Formula: see text]C. The structural studies from X-ray diffraction (XRD), Fourier transform infrared spectrometer, Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) disclose the predominant spinel crystal phase for copper cobaltite. The optical absorption spectra reveal two band gaps of 3.8[Formula: see text]eV and 4.4[Formula: see text]eV in the CuCo2O4 nanoparticles. The cyclic voltammetry (CV) was used to assess the electrochemical characteristics of the resulting product in an organic electrolyte at −1.5–1.5[Formula: see text]V under ambient conditions. On 22.4[Formula: see text]nm CuCo2O4 nanoparticles, a greater capacitance of 920[Formula: see text]F/g at a scan rate of 5[Formula: see text]mV/s was achieved.

Selective Coupling of β-(Borylvinyl)silanes by a Gold-Catalyzed Hiyama Reaction-An Easy Way to Diaryl-Substituted Vinyl Boronates.

The use of diaryl-substituted vinyl boronates, a class of chemical building blocks with well-known synthetic utility, is principally limited by the difficulty faced in their preparation. Herein, we present a convenient synthetic strategy based on a gold-catalyzed Hiyama arylation of (Z)-β-(borylvinyl)silanes, which are easily accessible by hydroboration of silylalkynes. By exploiting the highly electronegative nature of the gold(III) intermediate (which is accessed by light-assisted oxidation using aryl diazonium salts), a selective activation of the silyl group in the presence of the boron moiety is achieved. This opens a route to selectively synthesize diaryl-substituted vinyl boronates. The reaction shows a broad substrate range, excellent functional group tolerance, and perfect chemoselectivity. Experimental studies and density functional theory (DFT) calculations allowed us to elucidate the mechanism of the reaction. The synthetic potential was demonstrated by downstream transformations providing a facile route to bifunctional phenanthrenes and triaryl-substituted olefins.

Development of an improved and facile synthesis route of the FGFR inhibitor erdafitinib

Development of an improved and facile synthesis route of the FGFR inhibitor erdafitinib

Copper-Catalyzed Benzothiazolyldifluoroalkylation of Arylidenemalonitriles or para-Quinone Methides

We reported copper-catalyzed the 1,4- or 1,6-conjugate additions of arylidenemalonitriles or para-quinone methides with 2-bromodifluoromethylbenzo-1,3-thiazole for the preparation of benzothiazolyldifluoroalkyl containing (di)arylmethine compounds in moderate to excellent yields, providing a facile route for the synthesis of gem-difluoroalkylatated (di)arylmethine compounds. The synthetic utility of the current method was also demonstrated by a gram-scale reaction.

Interface-Engineered MoSe2-Co9S8 Nanoheterostructures with Enhanced Charge Storage Performance for Supercapacitor Application.

Cobalt-based chalcogenides have emerged as fascinating materials for supercapacitor applications owing to the presence of various mixed valance oxidation states in their structure along with rich electrochemical properties. However, their limited stability and cyclic performance hinder their viability for practical use in supercapacitors. Herein, a facile hot injection colloidal route is demonstrated to design MoSe2-Co9S8 nanoheterostructures (NHSs), which entails the epitaxial growth of Co9S8 nanoparticles (NPs) over the basal planes of ultrathin MoSe2 nanosheets (NSs). The interfacial engineering of the basal planes of MoSe2 NSs with Co9S8 NPs regulates the electronic properties and defects at the interfaces and increases the overall specific surface area and conductivity. As a result, MoSe2-Co9S8 NHSs electrode unveils a substantially higher specific capacitance of 910.5 F g-1 at 1 A g-1current density surpassing their individual counterparts. In addition, it demonstrates worthy solidity, retaining ≈90% of its capacitance and coulombic efficiency of 93.3% after 10,000 charge-discharge cycles at a high charge-discharge current density of 15 A g-1. As a proof-of-concept, coin cells are fabricated using MoSe2-Co9S8 NHSs which show 93% Coulomb efficiency and 86% capacitance retention. This study would pave the way for designing transition metal dichalcogenides (TMDs) - derived NHSs with superior capacitive properties.

Novel visible-light-driven I- doped Bi2O2CO3 nano-sheets fabricated via an ion exchange route for dye and phenol removal

Here, we developed a novel visible-light-driven I- doped Bi2O2CO3 nano-sheet photocatalyst fabricated via a facile ion exchange route at room temperature. This obtained Bi2O2CO3 nano-sheets with I- doping showed several advantages. The specific surface area of I0.875-Bi2O2CO3 was 2.16 times higher than that of Bi2O2CO3, providing more catalytic site for degradation reactions. Moreover, a 3.2 times photocurrent enhancement was observed in I0.875-Bi2O2CO3 comparing with Bi2O2CO3, producing more photogenerated electron-hole pairs for degradation reactions. The synergistic effect between texture property and photoelectric effect boosted the removal of organic pollutants. Under visible light illumination, I0.875-Bi2O2CO3 displayed superior photocatalytic performance for degradation of methyl orange and phenol. Notably, a phenol degradation rate of 88% was achieved over I0.875-Bi2O2CO3 with illuminating for 60 min, which was about 29 times higher than Bi2O2CO3. This finding may provide an opportunity to develop a promising I- doped catalyst for organic pollutants removal.

First report on the investigation of the pH dependent behavior in the complexes of palladium(II) acetylacetonate with isomers of dinitrobenzoate: Combined single crystal X-ray diffraction and Hirshfeld surface calculations

The novel six palladium acetylacetonate [Pd(acac)2] and isomers of dinitrobenzoate anions (e.g., 3,5-dinitrobenzoate (L1) and 2,4-dinitrobenzoate (L2)) based complexes (1-6) have been synthesized via a facile hydrothermal route. These complexes are further characterized by single crystal X-ray diffraction (SCXRD), IR spectroscopy, NMR spectroscopy, powder X-ray diffraction (PXRD), UV-vis spectroscopy, and thermogravimetric analysis (TGA). For the synthesis of these complexes, the initial precursors of isomers of dinitrobenzoates, i.e., 3,5 dinitrobenzoic acid (L1H) and 2,4 dinitrobenzoic acid (L2H) have been used at different pH conditions. The study evaluates the ability of the acetylacetonate group to act as a hydrogen bond acceptor in the presence of isomeric dinitrobenzoate ligands. The basic structure of Pd(acac)2 undergoes changes due to the varying chemical environment at different pH conditions. At lower pH levels, protonation of the acac group has occurred (e.g., complex 1), leading to changes in the coordination environment around the Pd(II) center. At the slightly basic pH value (⁓10), one of the acac anion is replaced with two ammonia molecules (e.g., complex 2, 4, and 5). Further increasing pH to 14, results in the replacement of both acac anions with four ammonia molecules (e.g., complex 3 and 6). The complexes 4 and 5 are pseudopolymorphs or solvates that are recovered from the same reaction mixture showing different morphology. These results are confirmed by NMR spectroscopy and single crystal X-ray diffraction. The crystallographic results have been amply supplemented by Hirshfeld surface analysis and other spectroscopic studies. The structural changes in complexes can impact the electronic properties and behavior of Pd(acac)2 in different chemical reactions. Therefore, it is important to consider the pH conditions when studying the structure and reactivity of Pd(acac)2 in various applications.

Enhanced electrochemical activity of boron doped cobalt oxide nanoparticles towards supercapacitor application

Doping via metal/nonmetal/metalloid dopants in to the crystal structural surface of cobalt oxide nanoparticles are promising for creating electroactive supercapacitors with excellent electrochemical performance. Herein, we fabricate boron doped cobalt oxide nanoparticles (B@Co3O4) via a facile co-precipitation route for supercapacitor applications. The incorporation of boron into cobalt oxide nanoparticles (3M B@Co3O4) brings a ∼4.2-fold increase in a specific surface area (548.126 m2g-1), decrease in band gap energy and reduced in crystalline size. Consequently, the B doped Co3O4 NPs displays a maximum specific capacitance of 998.12 F/g, which is ∼1.50-fold increased as compared to 668.79 F/g of the pristine Co3O4 NPs at current density 1.5mA/cm2 and scan rate 2mV/s in 1M KOH electrolyte solution. Moreover, 3M B@Co3O4 NPs demonstrates excellent power density 711.14W/kg and high energy density 195.96Wh/kg Wh/kg. Hence, we believe that boron doped cobalt oxide nanoparticles are a promising electroactive material for the supercapacitive applications.

Synergetic bifunctional Cu-In alloy interface enables Ah-level Zn metal pouch cells

Rechargeable aqueous zinc-metal batteries, considered as the possible post-lithium-ion battery technology for large-scale energy storage, face severe challenges such as dendrite growth and hydrogen evolution side reaction (HER) on Zn negative electrode. Herein, a three-dimensional Cu-In alloy interface is developed through a facile potential co-replacement route to realize uniform Zn nucleation and HER anticatalytic effect simultaneously. Both theoretical calculations and experimental results demonstrate that this bifunctional Cu-In alloy interface inherits the merits of low Zn-nucleation overpotential and high HER overpotential from individual copper and indium constituents, respectively. Moreover, the dynamical self-reconstruction during cycling leads to an HER-anticatalytic and zincophilic gradient hierarchical structure, enabling highly reversible Zn chemistry with dendrite-free Zn (002) deposition and inhibited HER. Moreover, the improved interface stability featured by negligible pH fluctuations in the diffusion layer and suppressed by-product formation is evidenced by in-situ scanning probe technology, Raman spectroscopy, and electrochemical gas chromatography. Consequently, the lifespan of the CuIn@Zn symmetric cell is extended to more than one year with a voltage hysteresis of 6 mV. Importantly, the CuIn@Zn negative electrode is also successfully coupled with high-loading iodine positive electrode to fabricate Ah-level (1.1 Ah) laminated pouch cell, which exhibits a capacity retention of 67.9% after 1700 cycles.

Highly efficient β-Bi2O3/Bi battery electrodes by reactive annealing from sol-gel precursors

The need of achieving low-impact and low-cost functional materials through sustainable and efficient methodologies is one of the goals of the current research in the field of materials science and energy storage. In this study, a new facile route for obtaining battery-like electrode Bi-based films is presented. Specifically, ~1.3 μm-thick β-Bi2O3 films were prepared from oxynitrate via a simple sol-gel/elution process upon titanium foils, followed by annealing in forming gas at 350°C. A multi-technique approach, involving Raman, X-ray Photoelectron Spectroscopy, X-ray Diffraction, Scanning Electron Microscopy and optical characterization, demonstrates the formation of a nanocrystalline porous bismuth oxide (20-30nm in size) consisting of β-Bi2O3 phase with the crucial presence of Bi0. Annealing at 350°C in different environments (i.e. air and N2), do not produce crystalline phases.The reported method improves the synthesis of β-Bi2O3 phase through a ~1μm-thick film realization and a controlled phase production by reactive annealing at moderate temperatures.Cyclic Voltammetry and Galvanostatic Charge Discharge analyses reveal a double-redox behaviour for the β-Bi2O3 /Bi0 battery electrode with a specific capacity (capacitance) of 195mA*h/g (350F/g) at 0.5A/g. The data highlight the promising usage of sol-gel/elution for the realization of ~1μm-thick film for energy storage applications.

Solvent-free mechanochemical synthesis of Mg-gallic acid complex for the fabrication of high-performance supercapacitor porous carbon

At molecular level, it is challenging to construct a porous carbon from magnesium based template and low cost precursor by a facile route for supercapacitive energy storage, e.g. solvent-free approach because the coordination of magnesium ion with organic ligands usually needs participation of solvent. Herein, a balling milling mediated coordination of magnesium acetate and gallic acid was developed in the absence of solvent to prepare porous carbon. The key of the present strategy lies in the generation of volatile HAc, orienting the reaction in a favorable direction for the formation of complexes. The resultant porous carbon (denoted BGMC) owns a high microporostiy ratio (24.2 % vs template-free derived ones of 11.1 %), open accessed microstructure and hydrophobic character. As electrode for supercapacitor, in aqueous electrolyte, the BGMC based supercapacitor achieves a high energy density of 19.2 Wh kg−1@900 W kg−1, while, in organic electrolyte of 1.0 M TEABF4/AN, the symmetric device based on BGMC delivers energy in a wide voltage window of 0–3.5 V with large energy of 34.4 Wh kg−1@1750 W kg−1, which is superior to those of recently reported carbon based devices. And more, at high current density of 10 A g−1, the BGMC device can resist continual charge/discharge for 30 000 cycles, showing an excellent cycling stability. Our strategy involving solvent-freely coordination of template and precursor molecule to prepare porous carbon open up a route with facile, scalable and easy-operable attributes towards the preparation of functional porous carbon.

Molten Salt Assisted Assembly (MASA) of novel mesoporous Ni0.5Mn0.5Co2O4 for high-performance asymmetric supercapacitors

Mesoporous transition metal oxides (TMO) are immensely investigated as electrode materials in supercapacitors. The molten salt assisted self-assembly (MASA) process enables a facile route for the synthesis of the mesoporous TMO. In this study, mesoporous nickel manganese cobaltite (Ni0.5Mn0.5Co2O4) is synthesized for the first time using a MASA process and is evaluated as a novel electrode-active material for asymmetric supercapacitors. The objective of this work is to quantitatively measure the performance improvement in the Ni0.5Mn0.5Co2O4 electrode based on its composition and reveal the improvement mechanism through electrochemical methods. The electrochemical performance of the NiCo2O4 and MnCo2O4 prepared by MASA is also investigated, in order to understand the synergistic effect of Ni and Mn elements in the same cobaltite structure. In line with the data obtained from half cells, a full asymmetric cell is prepared by assembling the appropriate amount of Ni0.5Mn0.5Co2O4 and activated carbon through the charge balance theory. The test results show that the specific capacitance (Cs) values are 2.62F/cm2 (92.1F/g) for mesoporous NiCo2O4, 0.26F/cm2 (9.8F/g) for mesoporous MnCo2O4, and 9.53F/cm2 (338.5F/g) for mesoporous Ni0.5Mn0.5Co2O4 under the test conditions of 5 mA/cm2. The asymmetric supercapacitor assembled with Ni0.5Mn0.5Co2O4 and activated carbon demonstrates a superior energy density of 79.52 Wh.kg−1 at 1 mA/cm2. The findings of the study highlight the importance of substituting the electrode with Ni0.5Mn0.5Co2O4 to enhance the Cs by achieving proper surface properties and electrochemical activity.

Poly (acrylic acid-co-2-hydroxyethyl methacrylate)-grafted gum ghatti hydrogel for capturing heavy metal ions

In this work, a facile route is explored for the synthesis of a novel polymer composite-based hydrogel (PC-hydrogel). The ratio of 2-(Hydroxyethyl) methacrylate (HEMA) and acrylic acid (AA) is optimized first based on Fourier transform infra-red spectroscopy, swelling ratio (SR%) and surface negative charge (PZC). Results indicate that PC-hydrogel composed of copolymer of HEMA: AA in 1:4 ratio is optimized, for grafting on Gum ghatti (Gg) during free-radical graft copolymerization process. Among all other possible combination of HEMA: AA, 1:4 ratio grafted Gg is termed as PC-hydrogel [Poly (AA-co-HEMA)-g-Gg]. PC-hydrogel exhibited negative surface charge over a wide range of pH owing to increase in AA. The swelling (g/g) and water retention ratio (%) of the prepared hydrogel have been found to be 342.6, 385 & 412.6 g/g and 74.83, 65.30 & 57.86 % in grey, tap and distilled water respectively. Furthermore, PC-hydrogel is applied for capturing Cu2+ and Co2+ ions in aqueous phases. Experimental results showed that adsorption process was pH-dependent, and the maximum capturing of Cu2+ and Co2+ was observed at neutral pH 7. Among different adsorption isotherms models like Langmuir, Freundlich, and Temkin models, experimental data fitted closely with the Langmuir adsorption model showing a maximum adsorption capacity of 381.67 and 328.94 mg/g for Cu2+ and Co2+ respectively. The capturing of metal ion followed pseudo-second-order rate model [rate constant k = 1.7 x 10−4 for Cu2+ and 1.5 x 10−4 for Co2+ g/(mg.min)]. The PC-hydrogel property retained its uptake capacity of metal ions up to the three successive adsorption−desorption cycles, and exhibited higher selectivity towards Cu2+ and Co2+ and other (NaCl, MgCl2, CaCl2) coexisting ions.

Highly Porous 3D Nanofibrous Scaffold of Polylactic Acid/Polyethylene Glycol/Calcium Phosphate for Bone Regeneration by a Two-Step Solution Blow Spinning (SBS) Facile Route.

This work presents the successful production of highly porous 3D nanofibrous hybrid scaffolds of polylactic acid (PLA)/polyethylene glycol (PEG) blends with the incorporation of calcium phosphate (CaP) bioceramics by a facile two-step process using the solution blow spinning (SBS) technique. CaP nanofibers were obtained at two calcium/phosphorus (Ca/P) ratios, 1.67 and 1.1, by SBS and calcination at 1000 °C. They were incorporated in PLA/PEG blends by SBS at 10 and 20 wt% to form 3D hybrid cotton-wool-like scaffolds. Morphological analysis showed that the fibrous scaffolds obtained had a randomly interconnected and highly porous structure. Also, the mean fiber diameter ranged from 408 ± 141 nm to 893 ± 496 nm. Apatite deposited considerably within 14 days in a simulated body fluid (SBF) test for hybrid scaffolds containing a mix of hydroxyapatite (HAp) and tri-calcium phosphate-β (β-TCP) phases. The scaffolds with 20 wt% CaP and a Ca/P ration of 1.1 showed better in vitro bioactivity to induce calcium mineralization for bone regeneration. Cellular tests evidenced that the developed scaffolds can support the osteogenic differentiation and proliferation of pre-osteoblastic MC3T3-E1 cells into mature osteoblasts. The results showed that the developed 3D scaffolds have potential applications for bone tissue engineering.

Influence of transition metal (Cu) and rare earth metal (Dy) co-doping on spinel zinc ferrite (Cu0.1Dy0.08Zn0.9Fe1.92O4) for improved photocatalytic degradation of industrial effluents

In the present era, design and development of novel, highly stable, easily and magnetically separable, cost effective, and visible light driven catalytic material for the removal of harmful industrial effluents is of great importance. In this context, facile co-precipitation route was adopted for the synthesis of ZnFe2O4 (ZFO), Cu0.1Zn0.9Fe2O4 (CZFO), Dy0.08ZnFe1.92O4 (DZFO), and Cu0.1Dy0.08Zn0.9Fe1.92O4 (CDZFO) and their fabrication was confirmed by XRD, FTIR, SEM, and UV-Visible spectroscopy. The phase analysis of all designed materials exhibits that there is an increment in the crystallite size of co-doped zinc ferrite (CDZFO) i.e. 11.51 nm as compared to ZFO (10.74 nm), CZFO (10.92 nm), and DZFO (11.41 nm). The optical study shows a significant decrease in bandgap of CDZFO i.e. 1.82 eV as compared to DZFO (1.89 eV), CZFO (2.0 eV), and ZFO (2.14 eV). This decrease in optical bandgap and increase in crystallite size of the CDZFO is due to the quantum confinement effect. The photocatalytic efficiency of pure, doped, and co-doped samples was investigated against organic dye (Congo red), pharmaceutical drug (ibuprofen), and colorless organic compound (benzoic acid). The photocatalytic results reveal that CDZFO showed about ∼90 % degradation of Congo red while ZFO, CZFO, and DZFO showed only 59 %, 70 %, and 79 % respectively. Moreover, CDZFO also showed highest photocatalytic removal efficiency against ibuprofen (88 %) and benzoic acid (74 %) out of all other synthesized materials. The remarkable photodegradation ability of CDZFO for all targeted pollutants could be attributed to the generation of crystal defects in its lattice, its small bandgap, and higher absorption in visible region. Furthermore, the recyclability experiment confirmed the stability and reusability of the prepared sample.

Thiourea-Driven Mild Synthesis of Photochromic Zeolite without H2 for Transient Information Storage.

The synthesis of hackmanite has been a topic of research for nearly 100 years, but up to now, the reported synthesis methods inevitably use reducing H2 to introduce the F-center through high-temperature calcination to make it change color, which extremely hinders its energy efficient large-scale synthesis before commercial applications. Herein, we present a facile route to synthesize hackmanite by using organic sulfur source thiourea as a precursor in a mild and hydrogen-free process. The synthesized hackmanite exhibits UVC-specific response, fast response, high contrast coloring, and fast fading at room temperature. In view of its photochromic features, a proof-of-concept is presented for transient information storage and burning-after-reading protection; the written information can be automatically erased within 8 min at room temperature.

Facile synthesis route for bulk production of complex fullerene-like MoS2 nanostructures with enhanced tribological properties.

Molybdenum-based nanoparticles are often used as oil additives to enhance a material's tribological performance. Here, we present a highly efficient synthetic route for the bulk production of two types of MoS2 nanostructures: multi-wall nanotubes and fullerene-like nanostructures. The presented two-step synthesis involves the transformation of ammonium heptamolybdate tetrahydrate and aniline into precursor nanowires, which are later transformed into MoS2 through heating in a H2S, H2 , and argon atmosphere to approximately 800°C. Depending on the heating rate, we successfully grew MoS2 layered compounds in various shapes and sizes. The resulting structures and compositions were characterised by X-ray powder diffraction, Raman spectroscopy, energy-dispersive X-ray spectroscopy, and electron microscopy. To assess the application potential of these MoS2 compounds, they were dispersed in polyalphaolefin (PAO 6) oil. Improved tribological properties were observed compared to typically used transition metal dichalcogenides.

Porphyrinoid-Functionalized ZnO Nanoflowers for Visible Light-Enhanced and Selective Benzylamine Detection at Room Temperature.

Functionalization of hybrid organic molecules as layers on ZnO nanoflowers (NFs) gives an excellent combination of sensing toward visible light and vapors of various volatile organic compounds (VOCs). In this work, hybrid organic molecules functionalized ZnO NFs were utilized for the photoinduced detection of benzylamine at room temperature. The ZnO NFs were synthesized via a facile solution route and functionalized with four different porphyrin-conjugated molecules namely (i) pyrene-porphyrin (PP), (ii) pyrene- porphyrinato zinc (ZnPP), (iii) triphenylamine- porphyrin (TP) and (iv) triphenylamine- porphyrinato zinc (ZnTP). The diameter of the flower-like structure was found to be ∼3.2 μm with the thickness of petals being ∼24.1 nm. The gas adsorption performance of the functionalized ZnO NFs on light activation at room temperature was studied by using a scanning Kelvin probe (SKP) system. The improved adsorption properties of the samples can be attributed to the heterojunctions and light activation. In particular, an enhanced response of ZnTP functionalized ZnO (ZnTPZ) toward benzylamine was observed. Further, static gas sensing experiments using ZnTPZ under various concentrations (1, 3, 5, 10, 15, and 25 ppm) of benzylamine vapors both in dark and visible light conditions have exhibited a linear increase in the response. The selectively enhanced response of ZnTPZ compared to that of pristine ZnO was thus confirmed at 1 ppm of benzylamine. The sensitivity and limit of detection of the ZnTPZ sensor were calculated to be 0.0292 ppm-1 and 197 ppb, respectively. The coordination metal (Zn) has helped in effective charge transfer between benzylamine and ZnTPZ by providing additional active sites for interactions. Also, density functional theory calculations demonstrated the role of the hybrid organic molecules on the sensor surface in improving gas adsorption. Further, fresh cabbage was utilized for real sample analysis with the proposed sensor under visible light illumination conditions, and a linear response was obtained for low ppm evaluation at room temperature. Overall, the obtained results suggest the development of novel ZnTPZ-based light-activated gas sensors for low ppm benzylamine detection at room temperature. These kinds of sensors can be used to track the freshness of vegetables as they are transported from farms to commercial outlets.