UV Vis Absorption Research Articles

Efficient synthesis of conjugated 2-(9H-fluoren-7-yl)-9H-fluorene via Br elimination in 2-bromofluorene using electron beam-irradiation

This study demonstrates the synthesis of conjugated 2-(9H-fluoren-7-yl)-9H-fluorene using electron beam irradiation within 3 min in place of the conventional catalytic cross-coupling reactions. 2-bromofluorene was irradiated at various doses (10, 30, 50, 70, 90, and 100 kGy), resulting in the elimination of Br from the 2-position and the formation of C–C bonds between the Br-eliminated fluorenes. The yield of 2-(9H-fluoren-7-yl)-9H-fluorene increased with higher absorbed doses, reaching 65% at 100 kGy. UV–Vis absorption of synthesized 2-(9H-fluoren-7-yl)-9H-fluorene showed an onset at 357 nm and a maximum absorption peak at 325 nm, and blue emission ranging from 340 to 450 nm in photoluminescence (PL). The results of UV–Vis absorption and PL indicated expanded conjugation of 2-(9H-fluoren-7-yl)-9H-fluorene due to the formation of C–C bonds between 2-bromofluorene through the electron beam-induced coupling reaction. Electron beam irradiation offers the potential to significantly reduce the reaction times for synthesis of conjugated organic compounds.

Synthesis, characterization, in silico and in vitro assessment of 2-aminopyridine nicotinamide cocrystal as a new agent for breast cancer therapy

Breast cancer is the leading cause of cancer-related death among women globally, in spite of major advances in diagnosis and treatment. 2-Aminopyridine Nicotinamide (2APNA) cocrystal was synthesized and cocrystal formation was confirmed through powder XRD. Computational investigations in structural fields and spectroscopic parameters were conducted and compared with the experimental results. Comparing the optimized geometrical characteristics, it was observed that molecular properties of 2APNA closely match the previously reported experimental data. FT-IR and FT-Raman spectroscopic analysis revealed the theoretical wavenumbers agree better with recorded data and in UV–visible absorption a single peak was recorded at 247 nm showing n → π* transition. The 2APNA's stability, reactive nature, charge relocations were studied through quantum chemical calculation such as FMO, MEP, NBO, NLO and Mulliken charge analysis. The topological features of cocrystal 2APNA was examined through ELF, LOL and RDG studies. The anti-apoptotic protein BCL-2 was selected as a target in molecular docking analysis and the results expressed 2APNA's binding score as -8.2 kcal/mol. In vitro studies confirmed that 2APNA has 2APNA demonstrated an enhanced cell death in MCF-7 cells with the IC50 concentration of 56.58 µg/mL and decreased the expression of BCL-2, thus resulting in apoptotic cell death. These results indicated that 2APNA possess a potent anticancer property for the treatment of breast cancer.

Development of 2D Ir-DMG nanosheets as a colorimetric sensor probe for Ni (II) sensing and a highly sensitive, reliable, and portable colorimetric sensor device for environmental analysis

The era of nanomaterials made a revolutionary change in colorimetric sensing with ultra-high sensitivity, improved reactivity, and enhanced photoactivity. The first-ever novel 2D metal–organic nanosheets were synthesized using IrCl3 and Dimethylglyoxime (DMG) by probe ultrasonication (PUS) followed by a solvothermal wet-chemical approach. This material has shown a rapid color change from yellow to crimson red with Ni (II) after the formation of complex. The UV–visible absorption spectra are the conventional methodology for colorimetric sensors and here, it was given a perfect linear relationship with an R2 of 0.99 and an LOD of 1.60 µM (0.1 ppm). The average calculated molar extinction coefficient for this system was 1889.30 M−1 cm−1. This is comparatively high absorptivity value. In addition, a novel Arduino-based colorimetric sensor device and corresponding software were developed under the name of “Chrom Metrics”. This Arduino device is unique since it can sense all wavelengths and the combined RGB delta E values. Therefore, it can provide more information/rationale for colorimetry than other devices/methods. The same Ir-DMG & Ni (II) system showed a perfect linear relationship with an R2 of 0.98 and a LOD of 0.85 µM (0.05 ppm) by the data obtained from this sensor device. Thus, this new device is easier and more accurate, highly efficient, rapid, highly selective, and sensitive.

Influence of La3+ doping on structural and optical properties of SrCeO3 perovskite

The SrCe1-xLaxO3 (x = 0.0, 0.02, 0.4, 0.6, and 0.10) perovskite materials have been successfully synthesized by auto-combustion method and calcined at 1100°C. The XRD patterns reveal a highly crystalline orthorhombic crystal structure with a Pnma space group in all samples. The TEM micrograph shows a spherical morphology of the 10 mol% La3+ doped SrCeO3 perovskite sample alongwith the SAED pattern confirming its highly crystalline nature. The incorporation of La3+ ion in the SrCeO3 perovskite has been confirmed by the Raman and Fourier transform infrared (FTIR) measurements. The UV–vis absorption spectra at room temperature show various bands, with a strong absorption band observed below 400 nm. The optical band gap of the undoped and La3+ doped samples have been calculated and it is smaller for the La3+ doped perovskite samples than that of the undoped perovskite sample. Therefore, the La3+ doped SrCeO3 perovskite may be applicable for optoelectronic applications.

Quantum computational and experimental spectroscopic investigation (FT-IR, Raman, UV–Vis), PES, LHE and topological investigations of 7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

The current research explored the structural optimization, electrical and vibrational characteristics, and quantum chemical calculations via the procedure of DFT for a purine derivative, 7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione (2HDPD). Functional groups were found by correlating FT-IR with simulated spectra. TD-DFT calculations were done for UV–vis absorption and to ascertain the electronic properties of both the solvent and the gas phase, enabling additional study of the compounds LHE. The experimental outcomes and theoretic parameters are in good agreement. LUMO and HOMO band gaps spectacle that the molecule is chemically reactive and that there is adequate charge transfer. Polar solvent exhibits the highest band gap value, 5.057 eV. Numerous topological considerations were accomplished using the Multiwfn tool. Charge transfer investigations have demonstrated the most imperative states. Weak intermolecular interactions were investigated using RDG analysis, LOL, NBO, and ELF. The 2HDPD compounds reactive areas were discovered by applying the MEP and Fukui investigations. Hyperpolarizability characteristics were used to calculate NLO behavior. The drug-like characteristics of the molecule follow Lipinski five rules. After docking with the proteins 1NG2, 2DVV, 3CAF, and 7OEX, the compound 2HDPD showed moderate binding affinities of −5.28, −5.04, −4.96, and −5.66 kcal/mol, in that order. The Ramachandran plot verified the proteins stability and advantageous locations. The Docking results show compound 2HDPD exhibited a COPD property.

WO3@MOF heterostructure in-situ transformed and deposited on La-Bi2WO6-BiFeWOx composite with enhanced photocatalytic performance for degradation of harmful and toxic substances produced by tobacco

Nowadays, tobacco is widely cultivated, and there are millions of people who smoke around the world. The cultivation of tobacco, along with the handling of cigarettes and the consumption of tobacco products, can produce numerous harmful and toxic substances. Many researchers are working diligently to eliminate these harmful and toxic substances. However, the results have been minimal. In this paper, we successfully prepared a novel La-Bi2WO6-BiFeWOx-WO3@MOF using hydrothermal and in-situ transformation methods. All samples were thoroughly investigated using various characterization techniques, including XRD, SEM, TEM, XPS, UV–Vis absorption spectra, transient photocurrent responses, and electron spin resonance. Furthermore, La-Bi2WO6-BiFeWOx-WO3@MOF was utilized as a catalyst for the degradation of harmful and toxic substances produced by tobacco, including phenol, nicotine, benzopyrene, and nitrosamines. The results indicate that La-Bi2WO6-BiFeWOx-WO3@MOF exhibits efficient separation and transfer of photo-generated electron-hole pairs under visible light irradiation. La-Bi2WO6-BiFeWOx-WO3@MOF also exhibits excellent photocatalytic activity, efficiently degrading phenol (98.62%), nicotine (92.41%), benzopyrene (81.74%), and nitrosamine (98.23%). Furthermore, the effects of varying catalyst dosage, phenol concentration, and pH values, as well as the degradation of nicotine, benzopyrene, and nitrosamine by La-Bi2WO6-BiFeWOx-WO3@MOF, were also investigated. The main active radicals are ·OH and ·O2– during the degradation process. Finally, a potential degradation mechanism for phenol, nicotine, benzopyrene, and nitrosamine by La-Bi2WO6-BiFeWOx-WO3@MOF is proposed.

Green synthesis of silver/silver oxide nanostructures using the Malva sylvestris extract prior to simultaneous distillation extraction: synthesis, phytochemical and biological analysis.

Nanotechnology and nanoscience are due to their numerous uses in medicine, engineering, and water pollution sensors and their expanding research fields. In this study, the essential oil, methanolic extract, and biosynthesized silver/silver oxide nanostructures (Ag/AgO NSs) using the aqueous extract of the plant were prepared. The phytochemical compounds of the extract and essential oil were analyzed using gas chromatography/mass spectrometry (GC/MS), respectively. The GC/MS technique identified 34 compounds in the essential oil of the plant with the major constituents including oleic acid (18.5%), palmitic acid (11.08%), phytone (6.64%), p-vinylguaiacol (6.4%), and phytol (4.23%). After the phytochemical identification, the total flavonoid and polyphenol contents of the extract was determined, too. Prodelphinidin B3 compound in the Malva sylvestris extract was analyzed and detected by high-performance liquid chromatography/ultraviolet detector (HPLC-UV), at a retention time of around 10 min. In addition, M. sylvestris extract was used for green synthesis of Ag/AgO NSs. The as-prepared NPs were characterized using X-ray diffraction (XRD), UV-visible absorption spectroscopy, scanning electron microscope equipped with energy-dispersive X-ray spectroscopy (SEM/EDS), Brunauer-Emmett-Teller (BET), Barrett-Joyner-Halenda (BJH), and Fourier transform infrared (FT-IR) analyses. Surface plasmon resonance (SPR) absorption at λmax 320 nm in the UV-vis spectra confirms the formation of Ag/AgO NSs. The crystalline structure of Ag/AgO NSs was confirmed by XRD analysis.The nanoparticles were found to have a small size, measuring 64.16 nm, 44.33 nm, and 50 nm using the Williamson-Hall, Scherrer, and SEM/EDS methods, respectively. Besides, that spherical shape of Ag NPs with good size distribution was observed in the SEM/EDS analysis. The small size, around 50 nm, and spherical shape of Ag/AgO NSs with good size distribution were observed in the SEM/EDS analysis. Besides, the antibacterial activity of the extract was evaluated against three pathogenic bacteria, by disk diffusion method. Significant antibacterial activity was observed for the prepared extracts of M. sylvestris against the bacteria (Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa), and the results were compared with the known antibiotics such as amoxicillin, cephalexin, erythromycin, and fluconazole.

Exploring conformational changes in β-lactoglobulin (β-LG) induced by silibinin: A comprehensive analysis of polyphenol-protein interaction

This study investigates the comprehensive characterization of the interaction between β-lactoglobulin (β-LG) and Silibinin using various spectroscopic techniques. Fluorescence quenching experiments at different temperatures (298, 303, 308, and 313 K) revealed substantive interactions between β-LG and Silibinin, as indicated by a reduction in fluorescence intensity and a red shift in emission maxima. Further analysis, including Stern-Volmer quenching constants (KSV), bimolecular quenching rate constants (kq), and thermodynamic parameters demonstrated static quenching mechanism and strong binding affinities (Ka range: 0.138–1.483 × 105 M−1) between BLG-Silibinin complex. Thermodynamic study suggested positive enthalpy and entropy changes (ΔHo=43.31 kcal mol−1; ΔSo=164.33 cal mol−1 K−1), suggesting a spontaneous reaction with negative ΔGo values (-5.66 to -7.30 kcal mol−1). Forster resonance energy transfer (FRET) measurements confirmed optimal distances (r and Ro) for FRET occurrence, endorsing the static quenching mechanism. Molecular docking supported these findings, showcasing a 1:1 stoichiometric binding ratio for β-LG: Silibinin. The β-LG and Silibinin complex is primarily stabilized by hydrogen bonds and hydrophobic interactions. Molecular dynamics simulations over 200 ns highlighted stability in the β-LG-Silibinin complex, indicated by RMSD convergence, consistent RMSF values, and compactness illustrated by Rg. Conformational changes in β-LG upon Silibinin binding were further confirmed through UV-Vis absorption spectroscopy, FTIR, far-UV CD, synchronous fluorescence, and 3D fluorescence analyses. Functionally, the antioxidant capacity of β-LG increased after complexation with silibinin as quantified by DPPH assay. These results collectively depict the intricate network of interactions between Silibinin and β-LG, shedding light on the molecular details of their binding and offering insights into potential functional implications in biological contexts.

Green synthesis, characterization and antibacterial evaluation of ZnO and Ag-doped ZnO nanoparticles using Ruta chalepensis leaf extract

ABSTRACT In this study, a facile, green, and eco-friendly approach was followed for the synthesis of zinc oxide (ZnO), Ag-doped ZnO nanoparticles (NPs) using Ruta chalepensis leaf extract. The biosynthesized nanoparticles were characterized by X-ray diffraction (X-RD), Fourier transform infrared spectroscopy (FT-IR), energy dispersive X-ray (EDX), and ultraviolet–visible spectroscopy (UV-Vis). The UV-Vis absorbance peaks for ZnO, 5%, and 7% Ag-doped ZnO NPs were 357, 360, and 364 nm, with band gaps of 3.00, 2.73, and 2.83 eV, respectively. The XRD data showed average crystalline sizes of ZnO, 5% Ag-doped ZnO, and 7% Ag-doped ZnO NPs were 13.82, 27.50, and 25.92 nm, respectively. The presence of a functional group was confirmed by FTIR spectrum. The improved antibacterial activity of Ag-doped ZnO NPs was due to Reactive Oxygen Species (ROS) formation. The higher zone of inhibition was observed in S. aureus and B. cereus (11 ± 1.0 and 12.33 ± 0.57 mm, respectively), by 7% Ag-doped ZnO NPs. Our finding showed that synthesized Ag-doped ZnO NPs possessed good antibacterial activity as compared to pure ZnO NPs. Hence, the designed plant leaf mediated Ag-doped ZnO NPs synthesis has provided avenues for the enhancement of the high efficiency of its antibacterial activity, this makes the study unique.

Moisture‐resistant nitroaromatic explosive gas sensor based on hydrophilic pentiptycene polymer

AbstractThe detection of explosive materials, particularly nitroaromatic compounds such as 2,4,6‐trinitrotoluene (TNT), is critical for public safety and national security. Existing detection methods often require complex instrumentation, limiting their applicability for real‐time or in‐field use. Fluorescent sensors, which offer rapid and sensitive detection through fluorescence quenching, present a promising alternative. This study evaluates the performance of two pentiptycene‐based polymers, P‐1 and P‐2, in detecting explosive vapors, with a specific focus on their behavior under high‐humidity conditions. P‐2, modified with triethylene glycol groups, demonstrated significantly increased hydrophilicity compared to the commonly studied P‐1, as confirmed by contact angle measurements. Spectroscopic analysis revealed a blue shift in P‐2's UV–Vis absorption and photoluminescence spectra, indicating electronic property changes due to structural modifications. The enhanced hydrophilicity of P‐2 enabled it to maintain stable sensing performance under moist conditions, showing less than a 10% reduction in sensitivity, compared to the 20% decrease observed in P‐1. This superior moisture resistance suggests that P‐2 is a more robust and practical sensor for explosive detection in environments with variable humidity levels.

Templating Iron(III) Oxides on DNA Molecules.

Fe(III) oxides were prepared as free nanoparticles and on DNA templates via the precipitation of Fe(III) salts with NaOH in the presence/absence of DNA. Through control of the pH and temperature, FeOOH and Fe2O3 were synthesised. The formation of templated materials FeOOH/DNA and Fe2O3/DNA was confirmed using UV-Vis absorption and FTIR spectra. The direct optical gap of Fe2O3/DNA was estimated as 3.2 eV; the absorption by FeOOH/DNA and Fe2O3/DNA at longer wavelengths is weaker, but consistent with indirect gaps near 2 eV. X-ray photoelectron spectra confirmed the presence of Fe(III) and DNA in the templated samples. Analysis of the X-ray diffraction patterns of both templated and non-templated FeOOH and Fe2O3 demonstrated that the materials were the α-FeOOH and α-Fe2O3 polymorphs with crystallite diameters of the DNA-templated materials estimated as 7.6 nm and 6.8 nm. Transmission electron microscopy showed needle-like crystals of both FeOOH and Fe2O3, but the Fe2O3 contains some globular structures. In contrast, the morphology of FeOOH/DNA and Fe2O3/DNA consists of needle-like crystallites of the respective oxides organised into complex dendritic structures with a length on the 10 μm scale formed by the DNA molecules. Finally, scanned conductance microscopy provided evidence for the conductivity of the FeOOH/DNA after alignment via molecular combing on an Si/SiO2 substrate. Fe2O3/DNA did not exhibit any detectable conductivity.

Spontaneous formation of polymeric nanoribbons in water driven by π-π interactions.

A simple method was developed to produce polymeric nanoribbons and other nanostructures in water. This approach incorporates a perylene diimide (PDI) functionalized by hydrophilic triethylene glycol (TEG) as a hydrophobic supramolecular structure directing unit (SSDU) into the core of hydrophilic poly(N,N-dimethylacrylamide) (PDMAc) chains using RAFT polymerization. All PDI-functional polymers dissolved spontaneously in water, forming different nanostructures depending on the degree of polymerization (DPn): nanoribbons and nanocylinders for DPn = 14 and 22, and spheres for DPn > 50 as determined by cryo-TEM and SAXS analyses. UV-VIS absorption spectroscopy was used to monitor the evolution of the PDI absorption signal upon dissolution. In solid form, all polymers show a H-aggregate absorption signature, but upon dissolution in water, the shortest DPn forming nanoribbons evolved to show HJ-aggregate absorption signals. Over time, the J-aggregate band increased in intensity, while cryo-TEM monitoring evidenced an increase in the nanoribbon's width. Heating the nanoribbons above 60 °C, triggered a morphological transition from nanoribbons to nanocylinders, due to the disappearance of J-aggregates, while H-aggregates were maintained. The study shows that the TEG-PDI is a powerful SSDU to promote 2D or 1D self-assembly of polymers depending on DPn through simple dissolution in water.

Optimizing the photocatalytic properties Er-doped bismuth ferrite for the degradation of mixed dyes under sunlight irradiation

In this study, the erbium (Er)-doped bismuth ferrite (BiFeO3/BFO) with the chemical formulation of Bi1-xErxFeO3 (x = 0, 5, 10, and 15 mol%) are synthesized using hydrothermal method. It is found that Er-doping induces structural distortions in BFO, leading to improved electronic and optical properties in BFO as confirmed by XRD, XPS, UV–visible absorption and PL spectral analysis. The particle size of BFO is found to be decreasing in the range of 60–30 nm with Er-doping, observed from their TEM images. Further, the photocatalytic efficiencies of the synthesized Bi1-xErxFeO3 nanoparticles are studied towards the degradation of methylene blue (MB), rhodamine B (RhB) dyes and their mixture under solar irradiation. While all the Er-BFO showed improved efficiency compare to pristine, the 10 mol% Er-doped BFO showed the highest degradation of ∼99 and 94 % for MB and RhB dyes, respectively in 180 min. More interestingly, while the pristine BFO selectively degraded only the MB dye in the MB-RhB mixture, the Er-BFO greatly degraded both the dyes in the mixture, which attributed to their improved electronic, electric field and optical band structure properties, especially to the 10 % Er-BFO degraded around 93 and 78 % of MB and RhB dye in the MB-RhB mixture. The cyclical use of 10 mol% Er-BFO is tested toward the degradation dye mixture, which showed a consistent photocatalytic performance up to 5 cycles, suggesting that the Er-doped BFO is photochemically stable and suitable for sustainable photocatalytic applications.

Monitoring spirooxazine–merocyanine photoisomerization with ion-current rectifying quartz nanopipettes

The characterization and discrimination of chemical compounds is imperative in both academia and industry, but currently relies on expensive and/or bulky instrumentation. Herein, we demonstrate that the ion transport properties of bare quartz nanopipettes containing aprotic acetonitrile electrolyte can be used discriminate isomers based on polarization and solvation, through changes to interfacial solvent ordering at the nanopore wall. This is demonstrated by monitoring the photoinduced isomerization of spirooxazine to merocyanine using the ion-current rectification of a quartz-nanopipette containing acetonitrile electrolyte, which results in an increase in rectification ratio (RR) from 3.6 ± 0.3 to 5.1 ± 0.2. This change is comparable to traditional UV–Vis absorbance and fluorescence measurements of the same process, with the appearance of a small shoulder-like absorbance peak from 400 to 500 nm, and a strong fluorescence signal at 430 nm.

Acridone Derivatives for Near-UV Radical Polymerization: One-Component Type II vs. Multicomponent Behaviors.

In this work, two novel acridone-based photoinitiators were designed and synthesized for the free radical polymerization of acrylates with a light-emitting diode emitting at 405 nm. These acridone derivatives were employed as mono-component Type II photoinitiators and as multicomponent photoinitiating systems in the presence of an iodonium salt or an amine synergist (EDB) in which they achieved excellent polymerization initiating abilities and high final conversions of the acrylate group. Photoinitiation mechanisms through which reactive species are produced were investigated employing different complementary techniques including steady-state photolysis, steady-state fluorescence, cyclic voltammetry, UV-visible absorption spectroscopy, and electron spin resonance spectroscopy. Finally, these molecules were also used in the direct laser writing process for the fabrication of 3D objects.

Facile preparation of NiFe2O4 decorated chitosan-graphene oxide for efficient remediation of Co(II) and adsorption mechanism

In the background of severe water pollution, adsorption is a charming technique for heavy metal remediation. In this work, NiFe2O4 decorated chitosan-graphene oxide (NFCG) was prepared by simple hydrothermal method for Co(II) remediation application. Adsorption mechanism was elaborately elucidated based on multiple evidences extracted from adsorption fitting (isotherms, thermodynamics and kinetics), spectroscopic test (XPS, UV–Vis absorption, fluorescent emission and Raman spectra) and the hard-soft acid-base (HSAB) theory inspection. Result shows, for Co(II) with initial concentration 200 mg·L−1, NFCG with dosage 500 mg·L−1 reaches adsorption equilibrium in 24 min, rendering removal percentage and adsorption amount 96.87 % and 387.48 mg·g−1, respectively. Owing to the efficient recovery enabled by paramagnetism, NFCG keeps adsorption amount 311.01 mg·g−1 for Co(II) after six consecutive cycles. Moreover, NFCG exhibits selectivity towards Co(II) under the coexistence of common interfering substances. Adsorption fitting suggests chemical adsorption based on heterogeneous affinity. Spectroscopic analysis discloses, CO, CO, -C(=O)NH-, OH and aromatic part contribute to Co(II) adsorption via electron donation, forming CoO bond. This atomic scale adsorption mechanism was substantiated by HSAB theory calculation. In brief, this work provides basic knowledge and technical support for fabricating high efficiency magnetic bio adsorbent.

Exploration of physical, structural, thermal, and optical properties of alkali zinc boro tellurite glasses doped with europium trioxide

In this present work we have studied the physical, structural, thermal, and optical properties of a new set of alkali zinc boro tellurite glasses doped europium trioxide prepared using the melt-quenching method. X-ray diffraction technique (XRD) and SEM were used to determine the non-crystalline property and microstructure property of the prepared samples. By using MAS-NMR spectroscopy and FTIR spectroscopy, the structural changes in the glasses were revealed. The physical properties were described by considering the densities of glass samples and hence molar volume, polaron radius, and oxygen packing density were measured. Thermal stability of glasses was perceived by performing DSC analysis and values ranges from 145 to 190 °C. Using UV–visible absorption spectra, it was possible to calculate the optical properties. The highest refractive index is found as 2.275 for glass AZBTE0 and the lowest is 2.241 for AZBTE5 glass. The ionic behaviour of the glasses was determined by electronegativity and values lie in the range of 1.51 to 1.688. The outcomes of the physical, thermal, and optical characteristics of glasses are intended for potential uses in optical switching and Europium doped fibre amplifier applications.

Green synthesis of Oscimum Sanctum mediated silver nanoparticles to fabricate sensors for hydrogen peroxide detection

In this study, silver nanoparticles (Ag NPs) of an average size of ∼15 nm have been produced using the green synthesis technique with Oscimum Sanctum leaf extract. Further, these nanoparticles have been used to prepare electrodes for electrochemical sensors to monitor hydrogen peroxide. Hydrogen peroxide sensors have many applications in different sectors, such as medical, agriculture, and industry. The optical and structural characteristics of the Ag NPs have been investigated by UV–visible absorption spectroscopy and XRD patterns. Particle size, shape, and morphology of as-synthesized Ag NPs have been analyzed using transmission and scanning electron microscopic techniques. These nanoparticles were deposited onto an indium-tin-oxide glass substrate using the electrophoretic technique, which was used as an electrode to assess the electro-oxidation of Ag NPs by cyclic voltammetry. The sensitivity of the sensor has been estimated to be 4.16 µA/mM-cm2. The limit of detection of the sensor is estimated to be 40 µM within the linear range of 5–28 mM. The lattice parameter, interplanar spacing, and crystallite size of Ag NPs have been quantified and estimated against pH variation.

Synthesis, Crystal Structure and Antifungal Activity of (E)-1-(4-Methylbenzylidene)-4-(3-Isopropylphenyl) Thiosemicarbazone: Quantum Chemical and Experimental Studies.

A novel (E)-1-(4-methylbenzylidene)-4-(3-isopropylphenyl) thiosemicarbazone was synthesized in a one-pot four-step synthetic route. Fourier transform infrared spectroscopy (FTIR), 1H and 13C nuclear magnetic resonances (NMR), single-crystal X-ray diffraction, and UV-visible absorption spectroscopy were utilized to confirm the successful preparation of the title compound. Single-crystal data indicated that the intramolecular hydrogen bond N(3)-H(3)···N(1) and intermolecular hydrogen bond N(2)-H(2)···S(1) (1 - x, 1 - y, 1 - z) existed in the crystal structure and packing of the title compound. Besides the covalent interaction, the non-covalent weak intramolecular hydrogen bond N(3)-H(3)···N(1) discussed by atoms in molecules (AIM) theory also functioned in maintaining the title compound's crystal structure. The strong intermolecular hydrogen bond N(2)-H(2)···S(1) (1 - x, 1 - y, 1 - z) discussed by Hirshfeld surface analysis played a major role in maintaining the title compound's crystal packing. The local maximum and minimum electrostatic potential of the title compound was predicted by electrostatic potential (ESP) analysis. The UV-visible spectra and HOMO-LUMO analysis revealed that the title compound has a low ΔEHOMO-LUMO energy gap (3.86 eV), which implied its high chemical reactivity due to the easy occurrence of charge transfer interactions within the molecule. Molecular docking and in vitro antifungal assays evidenced that its antifungal activity is comparable to the reported pyrimethanil, indicating its usage as a potential candidate for future antifungal drugs.

Aluminum phthalocyanine tetrasulfonate conjugated to surface-modified Iron oxide nanoparticles as a magnetic targeting platform for photodynamic therapy of Ehrlich tumor-bearing mice

BackgroundPhotodynamic therapy (PDT) is a targeted treatment option for cancers that are non-responding to ordinary anticancer therapies. It involves activating a photosensitizer with a light source of a specific wavelength to destroy targeted cells and their surrounding vasculature. Aluminum phthalocyanine tetra sulfonate (AlPcS4) has gained attention as a second-generation photosensitizer for its strong absorption in the red-light region. AlPcS4 can be conjugated to magnetic iron oxide nanoparticles (IONs) to provide targeted drug delivery to the tumor cells while reducing its undesired effect on healthy tissues in other body parts. MethodsMagnetic glutamine functionalized iron oxide nanocomposites loaded with AlPcS4 (IONs-NH2-AlPcS4) were synthesized via the co-precipitation method. The conjugate (IONs-NH2-AlPcS4) was characterized by TEM, Zeta potential, DLS, FTIR, and UV–VIS absorption spectroscopy. Furthermore, its photodynamic activity was investigated using albino mice with induced Ehrlich solid tumors. ResultsAlPcS4 was successfully conjugated to IONs-NH2 with a high loading efficiency of 54±2%. The synthesized conjugate exhibited a spherical shape, with 7 ± 2 nm particle size. The In vivo experiment revealed that the albino mice with induced Ehrlich solid tumor that were treated by combined PDT and magnetic targeting conjugate exhibited significant tumor regression and notably higher levels of necrotic tissue compared to the animals in other groups. ConclusionPDT mediated by magnetic targeting significantly inhibited tumor growth with minimal adverse effects, indicating its great potential as a promising strategy for solid cancer treatment.