Spectrophotometric Techniques Research Articles

Synergistic Action of Rutin-Coated Zinc Oxide Nanoparticles: Targeting Biofilm Formation Receptors of Dental Pathogens and Modulating Apoptosis Genes for Enhanced Oral Anticancer Activity.

Oral diseases are often associated with bacterial and fungal pathogens such as Staphylococcus aureus, Streptococcus mutans, Enterococcus faecalis, and Candida albicans. This research explored a novel approach to addressing these pathogens by synthesizing zinc oxide nanoparticles (ZnO NPs) coated with rutin (RT), a plant-derived compound. The synthesized ZnO-RT NPs were comprehensively characterized using UV-Vis spectrophotometer, SEM, and EDAX techniques to confirm their structural composition. The antioxidant potential was assessed through free radical scavenging assays. Additionally, the antimicrobial activity of ZnO-RT NPs was evaluated using a zone of inhibition assay against oral pathogens. Molecular docking studies with the Autodock tool were performed to elucidate the interactions between RT and the receptors of oral pathogens. The findings demonstrated that ZnO-RT NPs exhibited robust free radical scavenging activity. Furthermore, they showed significant antimicrobial activity with a minimal inhibitory concentration of 40 μg/mL against oral pathogens. ZnO-RT NPs also displayed dose-dependent anticancer effects on human oral cancer cells at concentrations of 10, 20, 40, and 80 μg/mL. Mechanistic insights into the anticancer activity on KB cells revealed the upregulation of apoptotic genes. This study underscores the promising potential of ZnO-RT NPs for dental applications due to their strong antioxidant, anticancer, and antimicrobial properties. These nanoparticles offer a hopeful prospect for addressing oral pathogen challenges and enhancing overall oral health.

An Estimation of Baricitinib by AQbD-driven UV Spectrophotometry Development and Validation Process

Background: Baricitinib (BCTB) is a novel Janus Kinase (JAK) 1 and 2 inhibitor used in the therapy of rheumatoid arthritis, approved by the “Food and Drug Administration” in 2018. It has significant dose-dependent effectiveness and severe side effects. Thus, it is crucial to figure out its concentration in developed dosage forms. The literature search revealed that there has only been one UV spectroscopy technique documented up to this point. Methanol was chosen as the detection medium in this approach, which is not comparable with plasma or serum. As a result, the preliminary research suggested developing a UV spectroscopic approach that can estimate BCTB concentration and compare it to its concentration in the plasma or serum. Thus, in the proposed method, 7.4 pH phosphate buffer was selected as a mobile phase. Aim: Using the Analytical Quality by Design (AQbD) methodology, a simple, robust spectrophotometric method for the detection of BCTB in API form and Niosomes drug delivery system is designed and assessed. Methods: In the AQbD approach, a face-centered CCD design of Design Expert 13 software was used to evaluate two critical method variables: scanning speed and sampling interval. The design space suitability was confirmed by standard error and overlay plots. The 2-D contour and 3-D response surface plots were used to forecast the relationship between the response variable and predictor variables. Results: Baricitinib displays an absorption maximum at 249.40 nm in saline phosphate buffer pH 7.4. The distinguished linearity of the method was obtained over a concentration of 5–30 µg/ml with a correlation coefficient (R2 ) value of 0.998. BCTB % assay was found to be near 99 %. Intraday and Interday precision were found to have % RSDs of 0.067–0.488 and 0.146–0.942, respectively. Conclusion: The established spectrophotometric technique was observed to be precise as per ICH revised guidelines ICH Q2 (R1) and Q14 for analytical method validation. Our findings are instructional for the future design and development of safe and reliable therapeutic dosage forms of BCTB for rheumatoid arthritis.

Extraction of RNA from the fungus Moniliophthora Perniciosa (Stahel) Aime and Phillips-Mora cultivated in induction medium for characterization of chitininases

Chitin is considered the second most important biopolymer in nature, both for its physiological functions in different organisms and for its high availability in the biosphere. However, its natural accumulation does not occur in the environment, this demonstrates that there are natural mechanisms responsible for its degradation. The chitinolytic enzymes found in living beings are targets of great biotechnological interest because they degrade chitin into useful derivatives for various sectors of the economy. Given this, this study aimed to extract RNA for subsequent molecular characterization of chitinases from the fungus Moniliophthora perniciosa. To this end, the fungus was cultivated in WY medium, remaining in the greenhouse for 10-14 days. After growth, RNA was extracted using the traditional Trizol method and the Direct-zol commercial kit. The resulting samples were analyzed using the spectrophotometric technique and verified by photodocumentation after agarose electrophoresis. It was observed that the culture medium was considered satisfactory for RNA extraction and the ideal growth time was 8-10 days for the strain to present sufficient mycelial mass for extraction. Furthermore, the commercial kit used was more favorable than the traditional Trizol method, the product had a low level of contaminants and electrophoresis demonstrated high RNA quality due to the presence of intact rRNA bands. Therefore, as it was extracted from cultivation in a medium that induces chitinase production, the RNA extraction described becomes the most suitable method for the molecular characterization of chitinase production.

A retrospective study on biotinidase deficiency: analysis of the Eastern Anatolia region patient cohort

ABTRACT This study retrospectively reviews individuals diagnosed with biotinidase deficiency in Eastern Anatolia to analyze the genetic variants and their relationship with biotinidase activity levels. The research focuses on determining the percentage impact of different variants on enzyme activity. The study included 357 patients who presented to Erzurum City Hospital with symptoms of biotinidase deficiency between 2018 and 2023 and were referred to the medical genetics department. Biotinidase enzyme levels were determined using spectrophotometric and colorimetric techniques, while Sanger sequencing analyzed the four exons and intron boundaries of the BTD gene. In the analysis of 357 patients (181 boys, 176 girls), the most frequent variant was c.1270G > C | p.Asp424His. Biotinidase enzyme activity was above 30% in 97.3% of patients with a homozygous p.D424His mutation. The mutations that caused the most significant decrease in enzyme activity were c.410G > A p.Arg137His, c.38_delinsTCC p.Cys13phefs*36, and c.1535C > T p.Thr512Met. Hearing loss (4 patients) and optic atrophy (1 patient) were mainly observed in patients with the c.38_delinsTCC mutation (homozygous or heterozygous). Most patients were asymptomatic, and mild symptoms were effectively prevented with biotin treatment. This study provides a detailed analysis of genetic diversity and clinical presentation in biotinidase deficiency cases in Eastern Anatolia, demonstrating the efficacy of biotin treatment. It highlights the significant role of genetic variants in phenotypic diversity and the need for personalized treatment, calling for further genetic research to enhance understanding of variant diversity and its impact on enzyme activity.

Automated prediction of phosphorus concentration in soils using reflectance spectroscopy and machine learning algorithms

A method is presented for predicting total phosphorus concentration in soils from Santander de Quilichao, Colombia, using a UV-VIS V-750 Spectrophotometer and machine learning techniques. A total of 152 soil samples, prepared with varying proportions of P2O5 fertilizer and soil, were analyzed, obtaining reflectance spectra in the 200 to 900 nm range with 3501 wavelengths. Additionally, 152 laboratory results of total phosphorus concentration were used to train the prediction model. The spectra were filtered using a Savitzky-Golay filter. Key wavelengths were identified using Variable Importance in Projection - Partial Least Squares (VIP-PLS) and Random Forest (RF), reducing the spectral bands to 1085. Principal Component Analysis (PCA) further reduced data dimensionality. A feedforward artificial neural network was then trained to predict phosphorus concentration. This method is faster than traditional lab tests by leveraging advanced data analysis and machine learning, offering results in less time. While sample preparation remains consistent with standard spectroscopic analysis, the value added by the proposed method lies in its data processing and interpretation. Currently applied to a single soil type, future improvements will include more soil types and other macronutrients, enhancing nutrient management in agriculture. Accurate macronutrient measurements aid in better fertilizer uses planning.• Filtering spectra and determining relevant wavelengths using VIP-PLS and RF.• Dimensionality reduction with PCA.• Training feedforward artificial neural networks.

A new spectrophotometric method for measuring ceruloplasmin ferroxidase activity: an innovative approach.

Ferroxidases are enzymes that participate in the iron metabolism of different organisms. They catalyze the oxidation of ferrous iron, Fe2⁺, into ferric iron, Fe3⁺, which is essential in iron homeostasis and physiological functioning. The present study describes a novel spectrophotometric method of serum ceruloplasmin ferroxidase activity. This method is easy to perform; it is also sensitive, specific, and rapid. In this method, ferrous ions are used as a substrate for the enzyme, with either salicylic acid or sulfosalicylic acid being taken as a chromogenic compound. These chromogens easily form a colored complex with ferric ions but are not formed with ferrous ions. In the enzymatic reaction, the ceruloplasmin ferroxidase enzyme catalyzes the oxidation of ferrous to ferric ions. The resulting increase in ferric ion concentration is then measured spectrophotometrically, following the formation of the colored complex. The complex formed has maximum absorbance at 540 nm in the case of salicylic acid and 490 nm in the case of sulfosalicylic acid. Comparatively, it was tested against the standard method to ascertain the new method's effectuality and reliability for assaying ferroxidase activity. The determined correlation coefficient amounted to 0.99, showing a strong correlation between the results obtained by the two methods. This new spectrophotometric technique offers a simplified, sensitive, specific, and fast means of estimating ferroxidase activity. It avoids using concentrated strong acids in the procedure and correlates excellently with the standard technique. This sets up a potential alternative for accurately determining ferroxidase activity in biological samples.

Lanthanide detection by novel arylether based receptor with imine functional groups: synthetic, photophysical, electrochemical and computational elucidation

AbstractThe present research discloses a novel chemical sensor (TEI) [1-((E)-(2-(3-(2-((E)-(2-hydroxynaphthalene-1-yl)methyleneamino)phenoxy)phenoxy)phenylimino)methyl)naphthalene-2-ol] for the detection of rare earth element cerium (III) in which spectrophotometric and voltametric sensor techniques were used with a versatile combination of ether and imine group. Various lanthanide ions were checked for the binding in a solution of TEI under identical conditions, including Ce(III), Dy(III), Ho(III), La(III), Sm(III), Eu(III), Gd(III), Tb(III), Er(III), Yb(III), Tm(III), Pr(III) and Nd(III). As observed in absorption studies, the enhancement of spectral intensity at 310 nm caused by Ce(III) was expected over other lanthanide ions. Cyclic and differential pulse voltammograms were also drawn for TEI receptor with and without Ce3+ ions With incremental addition of Ce3+ ions the anodic peak at 0.68 V oxygen gets completely diminished. Another anodic peak at 0.75 V which was due to complete oxidation of ether group and re-oxidation of reduced imine group, got reduced. In case of cathodic peak (due to reduction of imine group) at 0.6 V, there was hardly any decrease in current. This leads to the confirmation that there was no involvement of imine group in binding in the complex. Detection limit obtained by this sensor is 5 × 10–7 M without any interference which makes it a potent sensor for cerium detection.

A novel sustainable and ecofriendly UV-Spectrophotometric method for the determination of Naringenin in bulk and vaginal niosomal nanoformulation

Naringenin, a flavonoid found in several fruits like oranges, grapefruit, and bergamot, exhibits a wide range of biological effects. These include antidiabetic, antidepressant, antiatherogenic, antitumor, immunomodulatory, anti-inflammatory, hypolipidemic, antioxidant, peroxisome proliferator-activated receptors (PPARs) activation, hepatoprotective properties, memory enhancement and DNA protective properties. The aim of this current study is to develop a simple and precise UV spectrophotometric technique for measuring Naringenin Active Pharmaceutical Ingredient (API) in bulk and vaginal niosomal nanoformulation using PBS (Phosphate buffer solution) pH 4.5. The absorption peak of Naringenin was identified at 287 nm, and it adhered to Beer's law within the concentration range of 2 to 14 µg/ml. The calibration curve demonstrates a linear relationship between absorbance and concentration within the range of 2 to 14 µg/ml. The determined limit of detection and limit of quantification were found to be 0.587672µg/mL and 1.780824µg/mL, respectively. The validity of the method was assessed for repeatability, accuracy and precision. The results obtained indicated minimal intraday and interday variation. The excipients in the nanoformulation did not interfere the analysis. The developed analytical UV spectrophotometric method is simple, rapid and consistent, making it suitable for estimating the drug in both bulk and nanoformulation.

Identification of compounds from Origanum compactum and Origanum elongatum using HPLC/UV-ESI-MS and comparative analysis of their antioxidant, antimicrobial, anticoagulant, and antidiabetic properties

The aim was to assess the phytochemical composition, phenolic component levels, and biological properties of the flowering tops of Origanum compactum and Origanum elongatum. The study employed phytochemical assays, spectrophotometric techniques for quantitative analysis of polyphenols, flavonoids, and tannins, and compound identification using HPLC/UV-ESI-MS. The antimicrobial, antioxidant, anticoagulant, and antidiabetic properties were examined both in vitro and in vivo. The results showed that the O. compactum extract had significantly high levels of total polyphenols, measuring 47.368 mg gallic acid equivalents per gram, and flavonoids, measuring 14.839 mg quercetin equivalents per gram. The phytochemical examination of O. compactum revealed that lithospermic acid accounted for 36.82 % of the chemicals detected, followed by salvianolic acid C at 12.57 % and ros-marinic acid at 6.01 %. The main constituents of O. elongatum are salvianolic acid C (14.46 %), luteolin-3-O-glucuronide (13.51 %), salvianolic acid B (12.24 %), rosmarinic acid (7.83 %), and rutin (6.18 %). The results demonstrated different levels of effectiveness against the investigated microorganisms, with the extract from O. compactum exhibiting better activity, particularly against Gram-negative bacteria, certain yeasts, and the fungus Aspergillus niger. The aqueous extracts of both Origanum species demonstrate significant antioxidant activity. O. compactum has a higher total antioxidant capacity (IC50 of 35.083 μg/mL) compared to O. elongatum (IC50 of 77.080 μg/mL). However, O. elongatum has a higher reducing power (35.697 μg/mL) compared to O. compactum (42.563 μg/mL). In vivo evaluations revealed that the aqueous extracts of O. compactum and O. elongatum possess significant antihyperglycemic and anticoagulant properties. The extracts demonstrated a marked reduction in blood glucose levels during the oral glucose tolerance test (OGTT) in Wistar rats and effectively prolonged both prothrombin time (PT) and activated partial thromboplastin time (aPTT), highlighting their ability to inhibit coagulation pathways. Moreover, their comparable efficacy to standard antihyperglycemic medications and absence of severe toxicity, even at high doses, underscore their therapeutic potential for safe and effective treatment applications. Between the two species, O. compactum exhibited superior efficacy in key biological activities such as antioxidant, antimicrobial, and anticoagulant properties, making it a strong candidate for therapeutic applications. This study underscores the value of Origanum species as a rich source of bioactive compounds, offering significant potential in pharmaceuticals, nutraceuticals, and agri-food industries. The findings pave the way for further exploration of their diverse applications.

Structural modulation in colored polymer bands of methacrylic acid-based frontal polymerization

The periodic colored polymer bands have been investigated in frontal polymerization (FP) reaction containing methacrylic acid (MAA), hydroquinone, Benzoyl peroxide (BP), and N, N Dimethyl aniline (DMA) system. The MAA acts as a monomer, which was diluted adequately with methanol (MeOH), ethanol (EtOH), and butanol (BuOH) separately to observe the patterning characteristics in different reaction schemes. The structural modulations that include the periodicity of colored polymer bands, morphological changes, and spacings between two adjacent layers were studied. The colored variations of polymer bands and their dependency on the concentration of BP, hydroquinone and alcoholic compositions have been studied. The highly consistent pink-white colored polymer bands, loosely-packed band structures, and perfectly ordered band structures resulted in MeOH, EtOH, and BuOH systems, respectively, as discussed. The evolution of tiny bubbles and convection-type instability has been observed in different conditions of the FP reactions that significantly affect the planar movement of the polymer fronts. The hot spots, which usually represent the high-temperature regions of a typical frontal surface, have also been demonstrated in all reacting systems, which may cause spin mode propagation of the fronts and change the surface geometry, as described. The materials characterization was carried out using UV-visible spectrophotometer, NMR, FTIR, and FESEM techniques, providing information about the polymer phases involved in band structures, composition, and surface properties. The analytical data and results obtained during the study further emphasized that two different coloured polymers, namely 1, 4-dihydroxy anthraquinone methacrylic acid and poly-methacrylic acid dihydroxy, anthraquinone produced simultaneously and crystallized periodically, results in the development of a coloured polymer band structures. The possible reactions and associated chemical mechanisms concerning the observations, the nature of the monomer, and solvent characteristics have been proposed, which show a close agreement with the analytical data and results obtained during the study

Heteroleptic complexes of hydrazone Scaffold of picolinoyl N- oxide and 2,4 dihydroxy phenyl moieties; evaluation of antioxidant activity, DNA and protein binding properties and in vitro antiproliferation studies

The present study deals with design and synthesis of new mononuclear Cu(II), Co(II), Ni(II) and Zn(II) metal complexes of hydrazone of 2-(2-(2,4-dihydroxybenzylidene)hydrazinecarbonyl)pyridine-1-oxide (H2L), in a view to study their potential relevance for the biological applications. Structural aspects of the title compound (H2L) and metal complexes synthesized were evaluated by spectral and analytical methods viz. 1H NMR, 13C NMR, LC-MS, FT-IR, UV–Visible, SEM, EDX, Powder XRD, ESR, TGA and DTA. Ligational properties of H2L were explored by employing pH metric equilibrium studies for recognizing metal ion binding potential donor sites, and further HyperChem 7.5 software for computing properties of frontier molecular orbitals to ascertain orientation of highest occupied molecular orbitals from which presumably electrons are donated to metal ion in complex formation. The affinity of all title compounds to bind with CT-DNA and the type of interaction, therein have been studied by conducting UV–VIS absorption and fluorescence emission titrations. The protein-binding ability of all metal complexes with two serum proteins (BSA and HSA) were explored by absorption titrations, and further fluorescence titrations for BSA binding were also performed. Antioxidant activity of the title compounds was carried out by the method of free radical scavenging using spectrophotometric technique. Additionally, cytotoxicity of all metal complexes and ligand was measured by CTG cell proliferation assay after treating them with MDA-MB-231 and SKOV-3 cell lines. The cell cycle arrest and apoptosis assay in above cell lines after treatment with title compounds were also investigated by flow cytometry. In addition, molecular docking studies at target CDK2 protein inferred binding affinity of the title compounds through non covalent bonding interactions.

Investigation of structural, optical, and electrical characterization of nanostructured Bi30Sb10Se60-based photodetector applications

This study thoroughly investigates the optical absorption properties of Bi30Sb10Se60 thin films, focusing on their applicability in photo-sensing technologies. By employing a range of spectrophotometric techniques, including transmission and reflection analyses, the research identifies a direct energy gap of 1.68 eV, along with dispersion and oscillator energies of 14.36 eV and 3.42 eV, respectively. These parameters reveal the material's interaction capabilities with light. The study highlights the heterojunction's pronounced photosensitivity, especially at lower reverse biases, indicating its promise for photo-sensing applications. Photoluminescence (PL) spectra show broad defect emission bands with peaks at 475 nm, 487 nm, 510 nm, and 525 nm, which provide insights into recombination processes. Additionally, Energy Dispersive Spectroscopy (EDS) confirms the films' near-stoichiometric composition, while Thermal Gravimetric Analysis (TGA) demonstrates the high thermal stability of the films. The findings include high responsivity and detectivity of the photodetector, though the linear dynamic range (LDR) and signal-to-noise ratio (SNR) are comparatively lower. Overall, the research advances the understanding of Bi30Sb10Se60 thin films, paving the way for their use in optimized photoresponsive devices within optoelectronic technologies.

Development of a novel lightweight brick-activated carbon based BiVO4 photocatalyst and its adsorption-photocatalytic behavior for toxic dye removal in wastewater

The purpose of this research was to develop a novel photocatalyst by loading BiVO4 (BVO) particles on lightweight brick-activated carbon (LWB-AC). The characterizations of as-prepare samples were studied using X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and UV–VIS –NIR spectrophotometer (UV-VIS-NIR) techniques. The adsorption-photocatalytic methylene blue (MB) removal, methyl orange (MO) removal and rhodamine B (RhB) removal of the as-prepared LWB-AC based BVO photocatalyst were tested by irradiating visible light. The results showed that the LWB-AC based BVO photocatalyst exhibited the highest adsorption-photocatalytic efficiency for the removal of MB, MO and RhB dyes under visible light irradiation as compared to the other samples. This might be due to the synergistic effect between AC and BVO on the surface of LWB. Moreover, the presence of both AC and BVO on the surface of LWB helped in preventing the electron-hole recombination, resulting in the enhanced adsorption-photocatalytic activity. For reusability tests, the LWB-AC based BVO photocatalyst did not show the loss of adsorption-photodegradation ability of MB, MO and RhB dyes after five runs. A probable adsorption-photodegradation mechanism of LWB-AC based BVO photocatalyst was also proposed.

Colorimetric detection of Cu(II) in aqueous solutions using a novel chemosensor: 2-((2-chloroquinolin-3yl)methylidene]amino)phenol

ABSTRACT A spectrophotometric technique based on a selective colorimetric approach is presented in this study for the determination of Cu(II) ions using 2-([(2-chloroquinolin-3-yl)methylidene]amino)phenol (BHMOS) as a detection agent. NMR and FT-IR spectroscopy were used to characterize the compound thoroughly, ensuring accuracy in terms of its molecular structure. As a chemosensor in aqueous solutions, BHMOS has demonstrated a very high level of sensitivity and specificity, even in the presence of other cations. During the interaction between Cu(II) ions and BHMOS, a noticeable colour change was observed to pale green, which is a visual indicator of Cu(II) ions. The method demonstrated linearity for Cu(II) concentrations ranging from 5 to 60 µM, with a detection limit of 1.50 µM. The binding constant for the Cu(II)-BHMOS complex was determined to be 1.14 × 106 M−1, reflecting the strength and stability of the interaction. This method proved to be effective for detecting Cu(II) ions in both natural and simulated water samples, showing its potential utility in environmental monitoring applications.

Design, Synthesis, molecular dynamic analysis, and In-Vivo anti-diabetic evaluation of novel hydrazine carboximidamide derivatives

Diabetes is one of the most rapidly growing health problems globally, and researchers working hard to develop novel efficient therapies against it. In this regard, hydrazine carboximidamide has a great deal of attention owing to its diverse biological activities. Herein, a new series of N, N-disubstituted hydrazine carboximidamide derivatives was designed, synthesized, and assessed for their antidiabetic activity. Docking studies were performed to initially evaluate the binding of the designed compounds to the target enzyme. It was found that all of the pivotal ligand-enzyme interactions, including the interactions with Glu205/Glu206 aminoacids were observed in docking studies. The molecular dynamic analysis showed that the antidiabetic activity of the newly developed compounds may be implemented through the inhibition of dipeptidyl peptidase 4 (DPP-4), an important target that involves enhancing insulin release and suppressing glucagon discharge from the pancreas. The target molecules were synthesized practically and all the newly-developed chemical structures were confirmed via spectrophotometric methods, including IR, LC-MS, 1H NMR, and 13C NMR techniques. Finally, the in-vivo studies were carried out to confirm the results obtained from the docking and molecular dynamics studies. Compounds 6b and 6d demonstrated improved glucose tolerance through oral glucose tolerance tests in NMRI mice (at a dose of 10 mg/kg). Furthermore, prolonged administration of compounds 6b and 6d to diabetic Wistar rats for 14 days led to a noteworthy reduction in blood levels of glucose, akin to the effects observed with sitagliptin, a standard diabetes medication.

Unlocking the in vitro neuroprotection of sloe residues phenolic extracts by bioanalytical and chemometric strategies

Wild fruits, particularly the underutilized sloe (Prunus spinosa), are gaining interest as natural antioxidants, with residues from liqueur production being a source of bioactive compounds. This study proposes a sustainable approach for valorizing sloe residues, seeds and skins, by employing an innovative green extraction method. HPLC-ESI-QTOF and spectrophotometric techniques were used to explore the phenolic profile, highlighting the predominance of quercetin, 2,3-dihydroxybenzoic and ferulic acids (9.7–57 μg·g−1). In addition, the presence of Cu, Zn and Ca was confirmed by atomic absorption spectroscopy. Simultaneously, their neuroprotective potential against Alzheimer's disease (AD) was studied by exploring the inhibition of beta-amyloid aggregation and oxidative stress cytoprotection in SH-SY5Y cell line, standing out 1 μg·g−1 and 10 μg·g−1 extracts of sloe skin. Phenolic composition was correlated with bioactivities by means of multivariate analysis. These results contributed to highlight the potential of this bio-residue as a neuroprotective agent against AD in pharmaceutical and nutraceutical industries.

An Experimental Dynamic Investigation of the Influence of Melatonin, Serotonin and Tryptophan on the Stability of the DNA Structure

Background: Small molecules play a crucial role in the exploration of physiological pathways and in drug development by targeting deoxyribonucleic acid (DNA). DNA is a central focus for both endogenous and exogenous ligands, which interact directly or indirectly to regulate transcription and replication processes, thus controlling genetic expression in specific cells. Among these molecules, indole derivatives like tryptophan, serotonin, and melatonin are notable for their widespread presence in nature and significant biological effects. Tryptophan, an essential amino acid, serves as a vital structural element in proteins and a precursor for bioactive compounds like serotonin and melatonin, which impact various physiological functions. Methods: Experimental studies have been conducted to reveal the interaction mechanisms of these endogenous indole derivatives with calf thymus DNA (ct-DNA). These investigations involve viscosity measurements and analysis of double-stranded DNA behavior in the presence of indole molecules, using spectrophotometric UV absorption techniques to assess their impact on DNA stability. Additionally, the influence of calcium and magnesium ions on the resulting complexes of these indole derivatives with ct-DNA has been evaluated. Molecular docking validated our findings, offering additional insights into potential DNA–ligand interactions. Utilizing a crystallographic oligomer with an intercalation gap improved docking accuracy, distinguishing intercalation from groove recognition and enhancing assessment precision. Results: Our study offers detailed insights into the interaction patterns of the indole derivatives with DNA and is highly supported by molecular docking analyses: the indole derivatives were predominantly localized between C and G, interacting via π-π interactions and hydrogen bonds and aligning with known data on conventional intercalators. These findings underscore the importance of small compounds’ planar structure and appropriate size, facilitating tight insertion between adjacent base pairs and disrupting regular DNA stacking. Conclusions: Indoles’ physiological roles and potential as drug candidates targeting specific pathways are highlighted, emphasizing their significance as ubiquitous molecules with the ability to modulate biological effects on DNA structure.

First voltammetric studies, spectrophotometric and molecular docking investigations of the interaction of an anticancer drug ribociclib-DNA and analytical applications of disposable pencil graphite sensor

Ribociclib (RIB) is a cyclin-dependent kinase inhibitor used in the treatment of breast cancer. In this study, for the first time, the electrochemical behavior, quantification and interaction of RIB with DNA were carried out using voltammetric, spectrophotometric and molecular docking techniques. An environmentally-friendly disposable pencil graphite electrode (PGE) sensor was used as the working electrode. Utilizing the cyclic voltammetry technique, RIB produced an irreversible anodic wave around +0.837 V and reversible signals around +0.278 V/+0.209 V on the PGE surface. Using the PGE sensor, the RIB compound gave a very distinct anodic signal at a potential of +0.77 V in PBS (pH 3.0). For this analytical signal, the limit of detection and limit of quantitation values of RIB in the concentration range of 0.0139 3 M–0.0973 3 M in PBS (pH 3.0) were determined as 2.84 nM and 9.46 nM, respectively. The interaction of RIB with DNA was studied by voltammetric, spectrophotometric and molecular docking techniques. In the evaluation of the results obtained with all three techniques, the interaction of the RIB molecule with DNA was determined to occur through minor groove binding.

Unveiling the phytochemical profile, antioxidant and antibacterial activities, acute toxicity insight and analgesic effect of Retama dasycarpa stems: An unexplored endemic plant from Morocco

Retama dasycarpa is an endemic shrubby leguminous plant of Morocco used in traditional folk medicine. The plant has never been studied for either its phytochemical or pharmacological properties. This study represents the first investigation of the phytochemical profile as well as the antioxidant, the antibacterial, the analgesic effects and the oral acute toxicity of Retama dasycarpa. Watery and hydromethanolic stems plant macerates have been investigated. Secondary metabolites quantitative analysis was achieved through spectrophotometric techniques. Antioxidant effect was explored through DPPH, ABTS and FRAP trials. Antibacterial activity was investigated using a micro-plates dilution assay. Analgesic activity was explored through acetic acid-induced writhing and tail-flick methods. Acute oral toxicity was investigated on mice. Phytochemical analysis was achieved through UHPLC connected to diode array and mass spectrometry detectors.The obtained results showed significant contents in total phenolics, flavonoids and tannins in both extracts especially the hydromethanolic extract whose contents were slighlty higher than the aqueous one resulting in a remarkable antioxidant activity. Compared to the aqueous extract, the H2O:MeOH (1:1) one showed notable antibacterial activity against the tested strains. The acute toxicity in mice revealed the non-toxicity of the extracts along with a promised starting material of central and peripheral analgesics. The UHPLC analysis revealed the presence of several bioactive phytochemicals pertaining to phenolic acids, flavonols, flavones and isoflavones.The obtained results demonstrate the richness of this endemic and unexplored plant in terms of bioactive compounds and their associated activities, making it a promising source of pharmacological ingredients.

Textile color formulation methods: A literature review

AbstractColor has become an essential element in our communication and our judgment on products. In textile, the formulation of any color is an essential process to ensure color continuity from the master standard to all subsequent production batches. Indeed, the objective is to normalize its reproduction all along the color reproduction procedure. In the literature, researches concerning textile color formulation are important, so this review focuses on these different techniques and methods of color matching for dye mixtures and precolored fiber blends. This step involves determining the dyes or fibers to use (alone or in mixtures) and their appropriate proportions to reproduce the wanted colors. The main techniques used for dye mixtures are based on colorimetric, spectrophotometric, and artificial intelligence techniques. While for precolored fiber mixtures the used techniques are dived into theoretical and experimental models. In addition to the review of these different techniques, a quantitative analysis was carried out.