MOLECULAR MODELING, REACTIVITY PARAMETERS, AND SPECTROCHEMIC STUDIES OF e-CAPROLACTAM AND o-PHENANTROLINE
Background: Recently, research has been carried out to improve the efficiency of electronic devices in general. With the commercial search for consolidated materials and the growth in demand with monitoring of costs, research has sought to minimize these effects with the replacement or functionalization of other substances, which may be applied at lower costs without compromising operating yields already achieved. Objective: This work aimed to obtain molecular modeling and reactivity parameters of -caprolactam and o-phenanthroline to evaluate the interaction capacity in the formation of molecular systems. Conductance measurements were taken to observe the electrolytic behavior. Infrared and UV-visible spectra were recorded to characterize vibrational transitions and evaluate spectrochemical properties. Methods: The WebLab program was used to obtain structural data and calculate reactivity parameters. Conductance was obtained in QUIMIS Q-405 equipment. IR spectra were recorded on PERKIN ELMER FRONTIER equipment. UV-vis spectra were recorded in a SHIMADZU equipment 200 – 1000 nm range to record the main transitions. Results and Discussions: Electron donor atoms are centered mainly on oxygen and nitrogen, respectively, which are sterically more favorable. The behavior was non-electrolyte. Groups with vibrational transitions sensitive to chemical interactions are comprised of C=N, C-N, and C=O bonds. The parameter indicates transitions in the 190 – 300 nm region and the near-infrared, and the oscillator strength is typical of molecules used as dyes and sensitizers in optical light-emitting systems or light-to-electricity converters. Conclusions: We observed that these ligands have a donor capacity for the formation of complex systems that meet the need for electron transfer in optical pumping devices for the intensification of transitions or radiation converters, which can also be applied in radiation-to-electricity converter systems.
Read ArticleASSESSMENT OF SERUM SCLEROSTIN LEVEL AS A BIOMARKER ASSOCIATED WITH BONE DISORDERS IN Β-THALASSEMIA PATIENTS IN AL- NAJAF CITY, IRAQ
Background: β-thalassemia is a blood disorder in which the body does not make hemoglobin normally. Aim: To assess serum sclerostin in female patients with beta-thalassemia and compare with the healthy controls and to predict its complication associated with the bone pathophysiology, for designed improvement the lifestyle goodliness for these patients. Material and methods: Sixty-nine female beta-thalassemia (βT) patients (54 βT major and 15 βT Intermedia), aged 8-40 years who dependent on transfused blood, and 20 healthy controls were evaluated serum sclerostin, and was examined the relationship with hematological parameters RBC, Hb, PCV, WBC, PLT, BMI, splenic status, iron, and ferritin levels. The information of beta-thalassemia patients was collected and records by the questioner. Results: A significantly increased serum sclerostin level (mean 26.80±0.91) pg/ml was showed in βT patients compared with the healthy controls (10.03±0.68, p smaller than 0.001) pg/ml. Furthermore, a significant decrease (p smaller than 0.05) of the sclerostin level was observed in β-thalassemia major compared to intermedia β-thalassemia patients. Serum sclerostin level revealed a significant increase in progress age; it is highest in the age group (30-40) year as compared with age group (8-18) and (19-29) year respectively. Sclerostin showed no associations with the RBC, Hb, PCV, and significantly positively correlated (p smaller than 0.05) with serum iron, ferritin levels, WBC, and PLT count. Significantly higher sclerostin levels in splenectomized and underweight groups were observed compared to unsplenectomized and normal-weight groups (p smaller than 0.05) of βT patients. Conclusions: Sclerostin plays an important role in beta-thalassemia patients and can serve as a biomarker associated with the bone pathophysiology and indicator to prevent the continuation of such serious diseases caused by iron overload in these patients.
Read ArticleANALYTICAL METHODS FOR METHANOL DETECTION IN ALCOHOLIC BEVERAGES: A COMPARATIVE REVIEW OF CLASSICAL, COLORIMETRIC, AND CHROMATOGRAPHIC APPROACHES
Introduction: The detection of methanol in alcoholic beverages represents a critical public health issue, particularly in light of the recent outbreak of poisonings in Brazil, which registered 58 confirmed cases and 15 deaths through October 2025. Methanol's toxicity, with an estimated lethal dose ranging from 0.5 to 1.5 g/kg, requires reliable analytical methods for health surveillance. Brazilian legislation establishes a maximum limit of 20 mg/100 mL of anhydrous alcohol; however, the need for accessible screening methods in field settings remains an important challenge. Objective: To critically compare three analytical methods for methanol determination: classical qualitative methods (Lucas Test and dichromate/Schiff), Brazilian colorimetric method, and gas chromatography with flame ionization detector (GC-FID), evaluating their performance and applicability in resource-limited contexts. Methods: Theoretical-comparative approach through critical analysis of specialized literature and normative technical documentation. Methods were evaluated according to: operational principle, sensitivity (LOD/LOQ), selectivity, operational complexity, analysis time, and practical applicability. Results: The Lucas Test is not applicable for methanol detection. Colorimetric methods showed moderate sensitivity (LOD ~20-160 mg/100 mL), a 10-30-minute execution time, low operational complexity, and excellent portability. The Brazilian method presented chemical equivalence with international standards, differing only in the type of reading performed. GC-FID has shown superior sensitivity (LOD ≤ 1 mg/100 mL) and high specificity, but it requires extended time (~45-60 minutes), complex laboratory infrastructure, and specialized operators. Sugars interfere with colorimetric methods. Conclusions: The methods are complementary within a hierarchical system. Colorimetric methods enable rapid field screening, while GC-FID serves as the confirmatory method for forensic analyses. We recommend implementing integrated protocols that combine in situ colorimetric screening with GC-FID confirmation in accredited laboratories for effective health surveillance.
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