First-Principles Investigations of Novel Guanidine-Based Dyes.

In the pursuit of finding efficient D-π-A organic dyes as photosensitizers for dye-sensitized solar cells (DSSCs), first-principles calculations of guanidine-based dyes [A1-A18] were executed using density functional theory (DFT). The various electronic and optical properties of guanidine-based organic dyes with different D-π-A structural modifications were investigated. The structural modification of guanidine-based dyes largely affects the properties of molecules, such as excitation energies, the oscillator strength dipole moment, the transition dipole moment, and light-harvesting efficiencies. The energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) is responsible for the reduction and injection of electrons. Modification of the guanidine subunit by different structural modifications gave a range of HOMO-LUMO energy gaps. Chemical and optical characteristics of the dyes indicated prominent charge transfer and light-harvesting efficiencies. The wide electronic absorption spectra of these guanidine-based dyes computed by TD-DFT-B3LYP with 6-31G, 6-311G, and cc-PVDZ basis sets have been observed in the visible region of spectra due to the presence of chromophore groups of dye molecules. Better anchorage of dyes to the surface of TiO2 semiconductors helps in charge-transfer phenomena, and the results suggested that -COOH, -CN, and -NO2 proved to be proficient anchoring groups, making dyes very encouraging candidates for DSSCs. Molecular electrostatic potential explained the electrostatic potential of organic dyes, and IR spectrum and conformational analyses ensured the suitability of organic dyes for the fabrication of DSSCs.

Tetrazine-Linked Covalent Organic Frameworks With Acid Sensing and Photocatalytic Activity.

The first synthesis and comprehensive characterization of two vinyl tetrazine-linked covalent organic frameworks (COF), TA-COF-1 and TA-COF-2, are reported. These materials exhibit high crystallinity and high specific surface areas of 1323 and 1114 m2 g-1. The COFs demonstrate favorable band positions and narrow band gaps suitable for light-driven applications. These advantages enable TA-COFs to act as reusable metal-free photocatalysts in the arylboronic acids oxidation and light-induced coupling of benzylamines. In addition, these TA-COFs show acid sensing capabilities, exhibiting visible and reversible color changes upon exposure to HCl solution, HCl vapor, and NH3 vapor. Further, the TA-COFs outperform a wide range of previously reported COF photocathodes. The tetrazine linker in the COF skeleton represents a significant advancement in the field of COF synthesis, enhancing the separation efficiency of charge carriers during the photoreaction and contributing to their photocathodic properties. TA-COFs can also degrade 5-nitro-1,2,4-triazol-3-one (NTO), an insensitive explosive present in industrial wastewater, in 20 min in a sunlight-driven photocatalytic process; thus, revealing dual functionality of the protonated TA-COFs as both photodegradation and Brønsted acid catalysts. This pioneering work opens new avenues for harnessing the potential of the tetrazine linker in COF-based materials, facilitating advances in catalysis, sensing, and other related fields.

Nanoparticles Based Sensors for Cyanide Ion Sensing, Basic Principle, Mechanism and Applications.

Rapidly detecting potentially toxic ions such as cyanide is paramount to maintaining a sustainable and environmentally friendly ecosystem for living organisms. In recent years, molecular sensors have been developed to detect cyanide ions, which provide a naked-eye or fluorometric response, making them an ideal choice for cyanide sensing. Nanosensors, on the other hand, have become increasingly popular over the last two decades due water solubility, quick reaction times, environmental friendliness, and straightforward synthesis. Researchers have designed many nanosensors and successfully utilized them for the detection of cyanide ions in various environmental samples. The majority of these sensors use gold and silver-based nanosensors because cyanide ions have a high affinity for these metals ions and coordinate through covalent bonds. These metal nanoparticles are typically combined or coated with fluorescent materials, which quench their fluorescence. However, adding cyanide ions etches out the metal nanoparticles, restoring their fluorescence/color. This principle has been followed by most nanosensors used for cyanide ion sensing. In this review, different nanosensors and their sensing mechanisms are discussed in relation to cyanide ions. The primary purpose is to compare the sensing abilities of these sensors, mainly their sensitivity, advantages, application and to find out research gaps for future work. In this review paper, the development made in nanosensors in the last thirteen years (2010-2023) was discussed and the nanosensors for cyanide ions were compared with molecular sensors while the nanosensors with the excellent limit of detection were highlighted.

Mesoporous Cu-Doped Manganese Oxide Nano Straws for Photocatalytic Degradation of Hazardous Alizarin Red Dye.

The present work reports the photocatalytic degradation of alizarin red (AR) using Cu-doped manganese oxide (MH16-MH20) nanomaterials as catalysts under UV light irradiation. Cu-doped manganese oxides were synthesized by a very facile hydrothermal approach and characterized by energy dispersive X-ray spectroscopy, powder X-ray diffraction, scanning electron microscopy, Brunauer-Emmett-Teller analysis, UV-vis spectroscopy, and photoluminescence techniques. The structural, morphological, and optical characterization revealed that the synthesized compounds are nanoparticles (38.20-54.10 nm), grown in high mesoporous density (constant C > 100), possessing a tetragonal phase, and exhibiting 2.98-3.02 eV band gap energies. Synthesized materials were utilized for photocatalytic AR dye degradation under UV light which was monitored by UV-visible spectroscopy and % AR degradation was calculated at various time intervals from absorption spectra. More than 60% AR degradation at various time intervals was obtained for MH16-MH20 indicating their good catalytic efficiencies for AR removal. However, MH20 was found to be the most efficient catalyst showing more than 84% degradation, hence MH20 was used to investigate the effect of various catalytic doses, AR concentrations, and pH of the medium on degradation. More than 50% AR degradation was obtained for all studied parameters with MH20 whereas the pseudo-first-order kinetic model was found to be the best-fitted kinetic model for AR degradation with k = 0.0015 and R2 = 0.99 indicating a significant correlation between experimental data.

Where Are Sodium Ions in AOT Reverse Micelles? Fluoride Anion Probes Nanoconfined Ions by 19F Nuclear Magnetic Resonance Spectroscopy.

Confining water to nanosized spaces creates a unique environment that can change water's structural and dynamic properties. When ions are present in these nanoscopic spaces, the limited number of water molecules and short screening length can dramatically affect how ions are distributed compared to the homogeneous distribution assumed in bulk aqueous solution. Here, we demonstrate that the chemical shift observed in 19F NMR spectroscopy of fluoride anion, F-, probes the location of sodium ions, Na+, confined in reverse micelles prepared from AOT (sodium dioctyl sulfosuccinate) surfactants. Our measurements show that the nanoconfined environment of reverse micelles can lead to extremely high apparent ion concentrations and ionic strength, beyond the limit in bulk aqueous solutions. Most notably, the 19F NMR chemical shift trends we observe for F- in the reverse micelles indicate that the AOT sodium counterions remain at or near the interior interface between surfactant and water, thus providing the first experimental support for this hypothesis.

Lithium Pyrene Squarate Covalent Organic Frameworks for Efficient Lithium and Magnesium Separation from Salt Water.

The increasing pressure for lithium resources from the electric vehicle and nuclear energy industries means that new technologies to separate Mg2+ from Li+ from salt water are in demand. To address this need, we fabricated lithium pyrene squarate covalent organic frameworks (Li-SQCOFs) to separate Mg2+/Li+ mixtures from salt water. We optimized the effect of the electrolyte and the amount of the adsorbent and then carried out a kinetics study on the adsorbent recovery at various pH levels using both batch and continuous flow adsorption methods. Li-SQCOF was found to have excellent selectivity for solutions containing a mixture of Mg2+/Li+ ions. This work represents a unique path for the separation of Mg2+/Li+ through direct adsorption using a covalent organic framework (COF). The COF-supported ultrafiltration bed made in this study gave a Mg2+ separation flux of 60.5 h-1 m-2.

Single Organic Ligands Act as a Bifunctional Sensor for Subsequent Detection of Metal and Cyanide Ions, a Statistical Approach toward Coordination and Sensitivity.

The detection of key ions in environmental samples has garnered significant attention in recent years in the pursuit of a cleaner environment for living organisms. Bifunctional and multifunctional sensors, as opposed to single-species sensors, have emerged as a rapidly developing field. Many reports in the literature have documented the use of bifunctional sensors for the subsequent detection of metal and cyanide ions. These sensors, consisting of simple organic ligands, form coordination compounds with transition metal ions, resulting in clear visible or fluorescent changes that facilitate detection. In some cases, a single polymeric material can act as a ligand and coordinate with metal ions, forming a complex that serves as a sensor for cyanide ion detection in biological and environmental samples through various mechanisms. Nitrogen is the most dominant coordinating site in these bifunctional sensors, with the sensitivity of the sensors being directly proportional to the denticities of ligands for metal ions, while for cyanide ions the sensitivity was found independent of the denticity of the ligands. This review covers the progress made in the field over the past fifteen years (2007-2022), with most ligands detecting copper (II) and cyanide ions, but with the capability to detect other metals such as iron, mercury, and cobalt as well.

Marine life as a source for breast cancer treatment: A comprehensive review.

Breast cancer, one of the most significant tumors among all cancer cells, still has deficiencies for effective treatment. Moreover, substitute treatments employing natural products as bioactive metabolites has been seriously considered. The source of bioactive metabolites are not only the most numerous but also represent the richest source. A unique source is from the oceans or marine species which demonstrated intriguing chemical and biological diversity which represents an astonishing reserve for discovering novel anticancer drugs. Notably, marine sponges produce the largest amount of diverse bioactive peptides, alkaloids, terpenoids, polyketides along with many secondary metabolites whose potential is mostly therapeutic. In this review, our main focus is on the marine derived secondary metabolites which demonstrated cytotoxic effects towards numerous breast cancer cells and have been isolated from the marine sources such as marine sponges, cyanobacteria, fungi, algae, tunicates, actinomycetes, ascidians, and other sources of marine organisms.

Removal of As(V) and Cr(VI) with Low-Cost Novel Virgin and Iron-Impregnated Banana Peduncle-Activated Carbons.

This work reports the investigation of activated carbons from virgin banana peduncle (ZR1) and iron-impregnated banana peduncle (ZR2) as adsorbents for the removal of As(V) and Cr(VI) ions from aqueous solutions. Both adsorbents were characterized through the point of zero charge, powder X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray, Brunauer-Emmett-Teller, and Fourier transform infrared spectroscopic techniques. The effects of initial pH, contact time, temperature, and initial concentration on metal ion adsorption were investigated. Adsorbents existed as both crystalline and amorphous species having homogeneous surface cavities and surface area of 749.73 and 369.66 m2/g for ZR1 and ZR2, respectively. The maximum As(V) removal of 79.32 and 69.08% was obtained using ZR1 and ZR2, respectively, whereas the maximum Cr(VI) removal was calculated as 69.73% for ZR1 and 73.78% for ZR2. Kinetic modeling data were found to be best fitted for the pseudo-second-order reaction, and rate constants were calculated. The theoretical adsorption capacities (q m) of ZR1 and ZR2 were calculated through Langmuir and Freundlich models. The maximum As(V) adsorption capacities calculated for ZR1 and ZR2 were 13.33 and 9.066 mg/g, respectively, whereas the maximum Cr(VI) adsorption capacity for both was 13.26 mg/g at 298-328 K. The reaction was endothermic with decreased randomness at the solid-liquid interface due to positive entropy and enthalpy values. All kinetic and thermodynamic parameters showed the feasibility of the adsorption process, and characterization after adsorption indicated ZR1 and ZR2 novel activated carbons as efficient and cheapest biosorbents for removing As(V) and Cr(VI).

Diversity in Phytochemical Composition and Medicinal Value of Murraya paniculata.

Murraya paniculata is herbal medicinal plant which is traditionally being used for management of cardiovascular, intestinal and respiratory (air way) disorders. This evergreen plant of tropical regions is a member of Rutaceace family. The goal of this review is to analyze and report the biological activities and active phytochemicals reported from Murraya paniculata (M. paniculata) extracts and essential oil. The data was searched using different search engines and using specific key words including M. paniculata, herbal medicine, phytochemicals, extract, essential oil, pharmacological activities. M. paniculata has been found to have wide range of pharmacological activities, including antinociceptive, antianxiety, antioxidant, antidepressant, antibacterial, analgesic and anti-diabetic properties. A diverse range of phytochemicals, including phenols, coumarins, terpenoids, flavonoids, and alkaloids have been isolated from various portions of the plant and tested for a variety of biological activities. This review will provide more information and stimulate additional research to develop more effective and cost-efficient alternative medicine from this plant.

Recent Development in Coordination Compounds as a Sensor for Cyanide Ions in Biological and Environmental Segments.

Rapid detection of toxic ions has taken great attention in the last few decades due to its importance in maintaining a greener environment for human beings. The extreme toxicity of cyanide (CN-) ions is a great environmental concern as its continued industrial use generates interest in facile and sensitive methods for CN- ions detection. Since CN- ions act as a ligand in coordination chemistry which rapidly coordinates with suitable metals and forms complexes, this ability was mainly explored in its detection. It also attacks the central metal in coordination compounds and gives a fluorimetric response. Coordination compounds behave as a sensor for the detection of important ions like CN- ions and have gained great attention due to their facile synthesis, multianalyte detection, clear detection and low detection limit. Recently, considerable efforts have been devoted to the detection and quantification of hazardous multianalyte using a single probe. Cu2+ complexes are the main complexes used for CN- ions detection; however, the complexes of many other metals are also used as sensors. Four basic types of interaction have been discussed in coordination compound sensors for CN- detection. The performances of different sensors are compared with one another and the sensors which have the lowest detection limit are highlighted. This review comprises the progress made by coordination compounds as sensors for the detection of CN- ions in the last six years (2015-2021). To the best of our knowledge, there is no review on coordination compounds as a sensor for CN- ions during this period.

Recent Progress in Nanoparticles Based Sensors for the Detection of Mercury (II) Ions in Environmental and Biological Samples.

To maintain a green and sustainable environment for human beings, rapid detection of potentially toxic heavy metals like mercury (Hg(II)) has attracted great attention. Recently, sensors have been designed which can selectively detect Hg(II) over other common available cations and give a naked eye or fluorometric response. In the last two decades, the trend is shifting from bulky organic chemosensors toward nanoparticles due to their rapid response, low cost, eco-friendly and easy synthesis. In this review, promising nanoparticles-based sensors for Hg(II) detection are discussed. The nano-sensors are functionalized with nucleotide or other suitable materials which coordinate with Hg(II) ions and give clear color or fluorescence change. The operational mechanisms are discussed focusing on its four basic types. The nanoparticles-based sensors are even able to detect Hg in three different oxidation states (Hg(II), Hg(I) and Hg(0)). Recently, the trend has been shifted from ordinary nanoparticles to magnetic nanoparticles to simultaneously detect and remove Hg(II) ions from environmental samples. Furthermore, the nano-sensors for Hg(II) are compared with each other and with the reported organic chemosensors.

Advanced polymeric/inorganic nanohybrids: An integrated platform for gas sensing applications.

Rapid industrial development, vehicles, domestic activities and mishandling of garbage are the main sources of pollutants, which are destroying the atmosphere. There is a need to continuously monitor these pollutants for the safety of the environment and human beings. Conventional instruments for monitoring of toxic gases are expensive, bigger in size and time-consuming. Hybrid materials containing organic and inorganic components are considered potential candidates for diverse applications, including gas sensing. Gas sensors convert the information regarding the analyte into signals. Various polymeric/inorganic nanohybrids have been used for the sensing of toxic gases. Composites of different polymeric materials like polyaniline (PANI), poly (4-styrene sulfonate) (PSS), poly (3,4-ethylene dioxythiophene) (PEDOT), etc. with various metal/metal oxide nanoparticles have been reported as sensing materials for gas sensors because of their unique redox features, conductivity and facile operation at room temperature. Polymeric nanohybrids showed better performance because of the larger surface area of nanohybrids and the synergistic effect between polymeric and inorganic materials. This review article focuses on the recent developments of emerging polymeric/inorganic nanohybrids for sensing various toxic gases including ammonia, hydrogen, nitrogen dioxide, carbon oxides and liquefied petroleum gas. Advantages, disadvantages, operating conditions and prospects of hybrid composites have also been discussed.

Catalytic Oxidation of Toluene into Benzaldehyde and Benzyl Alcohol Using Molybdenum-Incorporated Manganese Oxide Nanomaterials.

Oxidation of toluene (an organic pollutant), into useful chemical products, is of great interest nowadays. However, efficient conversion of toluene under mild and sustainable conditions is a thought-provoking task. Here, we report MnMoO4 nanomaterials (CH1-CH2), synthesized through a very facile solvothermal approach. Catalytic efficiencies of MnMoO4 nanomaterials were evaluated by direct oxidation of toluene via C-H activation. Toluene was converted into benzaldehyde and benzyl alcohol in the presence of H2O2 as an oxidant at 80 °C. The reaction parameters, that is, catalyst dose, time, and toluene concentration, were varied to obtain the optimal conditions for the oxidation process. The 40.62% maximum toluene conversion rate was obtained after 18 h of oxidation activity with 0.06 g of catalyst CH1. A maximum of 78% benzaldehyde selectivity was obtained with 0.06 g of catalyst CH1 after 18 h of toluene oxidation activity. Also, 62.33% benzyl alcohol selectivity was achieved using 0.1 g of catalyst CH1 after 1 h of activity. Several catalytic cycles were run with CH1 to evaluate catalyst reusability. Potential % toluene conversion was obtained for up to six cycles and their turnover frequencies were found to be 1.94-1.01 s-1. FTIR spectra of catalyst CH1 before and after recovery indicate no significant change. The good conversion rate of toluene and efficient selectivity toward benzaldehyde and benzyl alcohol indicates the robustness and high potential of these catalysts to oxidize toluene under a milder, greener, and hazardous chlorine-free environment.

Design, synthesis, crystal structure, in vitro cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido) benzohydrazide derivatives as potent AChE and BChE inhibitors.

A series of hydrazone derivatives of 2-(benzamido) benzohydrazide was designed, synthesized, and characterized utilizing FTIR, NMR and UV spectroscopic techniques along with mass spectrometry. Compound 10 was also characterized through X-ray crystallography. These synthesized compounds were assessed for their potential as anti-Alzheimer's agents by checking their AChE and BChE inhibition properties by in vitro analysis. The synthesized derivatives were also evaluated for their antioxidant potential along with cytotoxicity studies. The results clearly indicated that dual inhibition of both the enzymes acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) was achieved by most of the compounds (03-13), showing varying IC50values. Remarkably, compound 06 (IC50 = 0.09 ± 0.05 for AChE and 0.14 ± 0.05 for BChE) and compound 13 (IC50 = 0.11 ± 0.03 for AChE and 0.10 ± 0.06 for BChE) from the series showed IC50 values comparable to the standard donepezil (IC50 = 0.10 ± 0.02 for AChE and 0.14 ± 0.03 for BChE). Moreover, the derivative 11 also exhibited selective inhibition against BChE with IC50 = 0.12 ± 0.09. Meanwhile, compounds 04 and 10 exhibited good anti-oxidant activities, showing % scavenging of 95.06% and 82.55%, respectively. Cytotoxicity studies showed that the synthesized compounds showed cell viability greater than 80%; thus, these compounds can be safely used as drugs. DFT and molecular docking studies also supported the experimental findings.

i-Propylammonium Lead Chloride Based Perovskite Photocatalysts for Depolymerization of Lignin Under UV Light.

Lignin depolymerization for the purpose of synthesizing aromatic molecules is a growing focus of research to find alternative energy sources. In current studies, the photocatalytic depolymerization of lignin has been investigated by two new iso-propylamine-based lead chloride perovskite nanomaterials (SK9 and SK10), synthesized by the facile hydrothermal method. Characterization was done by Powder X-Ray Diffraction (PXRD), Scanning Electron Microscopy (SEM), UV-Visible (UV-Vis), Photoluminescence (PL), and Fourier-Transform Infrared (FTIR) Spectroscopy and was used for the photocatalytic depolymerization of lignin under UV light. Lignin depolymerization was monitored by taking absorption spectra and catalytic paths studied by applying kinetic models. The %depolymerization was calculated for factors such as catalyst dose variation, initial concentration of lignin, and varying temperatures. Pseudo-second order was the best suited kinetic model, exhibiting a mechanism for lignin depolymerization that was chemically rate controlled. The activation energy (Ea) for the depolymerization reaction was found to be 15 kJ/mol, which is remarkably less than conventional depolymerization of the lignin, i.e., 59.75 kJ/mol, exhibiting significant catalytic efficiencies of synthesized perovskites. Products of lignin depolymerization obtained after photocatalytic activity at room temperature (20 °C) and at 90 °C were characterized by GC-MS analysis, indicating an increase in catalytic lignin depolymerization structural subunits into small monomeric functionalities at higher temperatures. Specifically, 2-methoxy-4-methylphenol (39%), benzene (17%), phenol (10%) and catechol (7%) were detected by GC-MS analysis of lignin depolymerization products.

Terpyridine-metal complexes: effects of different substituents on their physico-chemical properties and density functional theory studies.

A series of different substituted terpyridine (tpy)-based ligands have been synthesized by Kröhnke method. Their binding behaviour was evaluated by complexing them with Co(II), Fe(II) and Zn(II) ions, which resulted in interesting coordination compounds with formulae, [Zn(tpy)2]PF6, [Co(tpy)2](PF6)2, [Fe(tpy)2](PF6)2 and interesting spectroscopic properties. Their absorption and emission behaviours in dilute solutions were investigated in order to explain structure-property associations and demonstrate the impact of different aryl substituents on the terpyridine scaffold as well as the role of the metal on the complexes. Photo-luminescence analysis of the complexes in acetonitrile solution revealed a transition from hypsochromic to bathochromic shift. All the compounds displayed remarkable photo-luminescent properties and various maximum emission peaks owing to the different nature of the functional groups. Furthermore, the anti-microbial potential of ligands and complexes was evaluated with docking analyses carried out to investigate the binding affinity of terpyridine-based ligands along with corresponding proteins (shikimate dehydrogenase and penicillin-binding protein) binding sites. To obtain further insight into molecular orbital distributions and spectroscopic properties, density functional theory calculations were performed for representative complexes. The photophysical activity and interactions between chromophore structure and properties were both investigated experimentally as well as theoretically.

Role of Pyridine Nitrogen in Palladium-Catalyzed Imine Hydrolysis: A Case Study of (E)-1-(3-bromothiophen-2-yl)-N-(4-methylpyridin-2-yl)methanimine.

In the present study, 4-methylpyridin-2-amine was reacted with 3-bromothiophene-2-carbaldehyde and the Schiff base (E)-1-(3-bromothiophen-2-yl)-N-(4-methylpyridin-2-yl)methanimine was obtained in a 79% yield. Coupling of the Schiff base with aryl/het-aryl boronic acids under Suzuki coupling reaction conditions, using Pd(PPh3)4 as catalyst, yielded products with the hydrolysis of the imine linkages (5a-5k, 6a-6h) in good to moderate yields. To gain mechanistic insight into the transition metal-catalyzed hydrolysis of the compounds, density functional theory (DFT) calculations were performed. The theoretical calculations strongly supported the experiment and provided an insight into the transition metal-catalyzed hydrolysis of imines.

Ferrocene-based anilides: synthesis, structural characterization and inhibition of butyrylcholinesterase.

Twenty-three compounds in two series of ferrocene-based anilides, with the general formula C5H5-Fe-C5H4-C6H4-NH-CO-C6H4-R (where R = H, F, Cl, CH3 and OCH3), have been successfully synthesized. The compounds were characterized by elemental analysis and FTIR, 1H NMR and 13C NMR spectroscopy. Two compounds (M07 and P09) were characterized by X-ray crystallography. Solid state studies indicate that ferrocene derivatives with the conformation of meta amide substituents engage in intermolecular H-bonding, which stabilizes the meta derivatives over their para analogues. The H-bonding takes place when the conformation of the ferrocene changes by rotation around the C-N bond, favoring interactions between two molecules in adjacent layers in the solid state. The potential importance of this H-bonding to the biological effects of these molecules was investigated using both experimental and computational studies. All the compounds were found to inhibit butyrylcholinesterase. The most active compound shows 50% inhibition at a concentration of 9 ± 0.2 µM, similar to the known drug galantamine (with an IC50 of 8 µM). Compounds with the ferrocene moiety meta to the amide linkage were consistently found to be slightly more active than the other structural isomers, suggesting that the H-bonding may only slightly increase the overall affinity for the protein. Computational studies confirmed the limited effects of the H-bonding in the presence and absence of water in the active site of butyrylcholinesterase, supporting the importance of hydrophobicity for inhibitors of this enzyme.

Synthesis and characterization of azo-guanidine based alcoholic media naked eye DNA sensor.

DNA sensing always has an open meadow of curiosity for biotechnologists and other researchers. Recently, in this field, we have introduced an emerging class of molecules containing azo and guanidine functionalities. In this study, we have synthesized three new compounds (UA1, UA6 and UA7) for potential application in DNA sensing in alcoholic medium. The synthesized materials were characterized by elemental analysis, FTIR, UV-visible, 1H NMR and 13C NMR spectroscopies. Their DNA sensing potential were investigated by UV-visible spectroscopy. The insight of interaction with DNA was further investigated by electrochemical (cyclic voltammetry) and hydrodynamic (viscosity) studies. The results showed that compounds have moderate DNA binding properties, with the binding constants range being 7.2 × 103, 2.4 × 103 and 0.2 × 103 M-1, for UA1, UA6 and UA7, respectively. Upon binding with DNA, there was a change in colour (a blue shift in the λmax value) which was observable with a naked eye. These results indicated the potential of synthesized compounds as DNA sensors with detection limit 1.8, 5.8 and 4.0 ng µl-1 for UA1, UA6 and UA7, respectively.