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Molecular Mechanisms and Applications of Spectrophotometric Determination

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 20 February 2025 | Viewed by 3149

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Guest Editor
Department of Chemical Sciences, Medical University of Plovdiv, 4004 Plovdiv, Bulgaria
Interests: coordination compounds; transition metals; vanadium; spectrophotometry; ion-association; cloud point extraction; liquid-liquid extraction; green analytical chemistry
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Special Issue Information

Dear Colleagues,

Modern chemistry has a powerful arsenal of analytical methods to solve a wide range of problems related to the environment, biochemistry, medicine, technology, agriculture, and everyday life, one of which is UV-Vis spectrophotometry. The main advantages of this method are simplicity, speed, low cost, the preservation of the sample, and availability in almost every chemical laboratory. Its specific areas of application include but are not limited to DNA/RNA purity checks, quality control in industry, environmental monitoring, bacterial culturing, and drug identification. An important aspect of UV-Vis spectrophotometry is its applicability as a convenient tool for understanding the molecular mechanisms of various processes.

The proposed Special Issue (SI) aims to highlight essential issues related to UV-Vis spectrophotometric determinations and reaction mechanisms at the molecular level. It is my pleasure to invite you to submit a manuscript for this SI. Full papers, briefs, and reviews are welcome.

Dr. Kiril Gavazov
Guest Editor

Manuscript Submission Information

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Keywords

  • molecular spectroscopy
  • UV-Vis spectrophotometry
  • determination
  • molecular mechanisms
  • molecular research
  • molecular modeling
  • complex formation
  • sample preparation
  • speciation analysis
  • green analytical chemistry
 

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Published Papers (3 papers)

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Research

11 pages, 2269 KiB  
Article
Assessment of 5-Hydroxymethylfurfural in Food Matrix by an Innovative Spectrophotometric Assay
by Nadia Geirola, Simona Greco, Rosario Mare, Domenico Ricupero, Mariagiovanna Settino, Luca Tirinato, Samantha Maurotti, Tiziana Montalcini and Arturo Pujia
Int. J. Mol. Sci. 2024, 25(15), 8501; https://doi.org/10.3390/ijms25158501 - 4 Aug 2024
Viewed by 610
Abstract
Foods contaminants pose a challenge for food producers and consumers. Due to its spontaneous formation during heating and storage, hydroxymethylfurfural (HMF) is a prevalent contaminant in foods rich in carbohydrates and proteins. Colorimetric assays, such as the Seliwanoff test, offer a rapid and [...] Read more.
Foods contaminants pose a challenge for food producers and consumers. Due to its spontaneous formation during heating and storage, hydroxymethylfurfural (HMF) is a prevalent contaminant in foods rich in carbohydrates and proteins. Colorimetric assays, such as the Seliwanoff test, offer a rapid and cost-effective method for HMF quantification but require careful optimization to ensure accuracy. We addressed potential interference in the Seliwanoff assay by systematically evaluating parameters like incubation time, temperature, and resorcinol or hydrochloric acid concentration, as well as the presence of interfering carbohydrates. Samples were analyzed using a UV–Vis spectrophotometer in scan mode, and data obtained were validated using HPLC, which also enabled quantification of unreacted HMF for assessing the protocol’s accuracy. Incubation time and hydrochloric acid percentage positively influenced the colorimetric assay, while the opposite effect was observed with the increase in resorcinol concentration. Interference from carbohydrates was eliminated by reducing the acid content in the working reagent. HPLC analyses corroborated the spectrophotometer data and confirmed the efficacy of the proposed method. The average HMF content in balsamic vinegar samples was 1.97 ± 0.94 mg/mL. Spectrophotometric approaches demonstrated to efficiently determine HMF in complex food matrices. The HMF levels detected in balsamic vinegars significantly exceeded the maximum limits established for honey. This finding underscores the urgent need for regulations that restrict contaminant levels in various food products. Full article
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17 pages, 2673 KiB  
Article
Development of Visible Spectrophotometric Methods for the Determination of Tricyclic Antidepressants Based on Formation of Molecular Complexes with p-Benzoquinones
by Maria D. Ciuca and Radu C. Racovita
Int. J. Mol. Sci. 2023, 24(23), 16744; https://doi.org/10.3390/ijms242316744 - 25 Nov 2023
Viewed by 1038
Abstract
Tricyclic antidepressants are commonly employed in the management of major depressive disorders. The present work describes two visible (VIS) spectrophotometric techniques that utilize the formation of charge transfer complexes between four antidepressant compounds, namely, amitriptyline hydrochloride (AMI), imipramine hydrochloride (IMI), clomipramine hydrochloride (CLO), [...] Read more.
Tricyclic antidepressants are commonly employed in the management of major depressive disorders. The present work describes two visible (VIS) spectrophotometric techniques that utilize the formation of charge transfer complexes between four antidepressant compounds, namely, amitriptyline hydrochloride (AMI), imipramine hydrochloride (IMI), clomipramine hydrochloride (CLO), and trimipramine maleate (TRI) acting as electron donors and two p-benzoquinones, namely, p-chloranilic acid (pCA) and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), serving as electron acceptors. The stoichiometry of the compounds produced exhibited a consistent 1:1 ratio in all instances, as established by Job’s method. Molar absorptivities, equilibrium association constants, and several other spectroscopic properties were determined for all complexes. The developed spectrophotometric techniques were validated intra-laboratory and successfully applied for quantitative assessment of the four antidepressant active ingredients in several commercial pharmaceutical formulations. The methods are relatively simple, fast, and use readily available laboratory instrumentation, making them easily applicable by most quality control laboratories worldwide. Full article
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16 pages, 5112 KiB  
Article
Comparative Investigation of the Spectroscopic Behavior Based on High-Concentrated Solution in Nitrogen and Air Atmospheres
by Xuefei Zhang, Ning Duan, Linhua Jiang, Fuyuan Xu and Weidong Li
Int. J. Mol. Sci. 2023, 24(16), 12629; https://doi.org/10.3390/ijms241612629 - 10 Aug 2023
Cited by 4 | Viewed by 990
Abstract
In order to accurately obtain photometric information of high concentration SO42− and other substances in the process industry, the spectroscopy behavior of SO42−, S2−, Ni2+ and Cu2+ in air and nitrogen atmosphere was compared [...] Read more.
In order to accurately obtain photometric information of high concentration SO42− and other substances in the process industry, the spectroscopy behavior of SO42−, S2−, Ni2+ and Cu2+ in air and nitrogen atmosphere was compared based on the UV-visible spectrophotometer with a nitrogen replacing the oxygen. Different from Ni2+ and Cu2+, the accuracy of SO42− and S2− in the ultraviolet region was effectively improved by using a nitrogen atmosphere (P detection results were regressed within the limited standard range, RE < 5%). The nitrogen atmosphere suppressed the additional light attenuation caused by its absorption of ultraviolet rays by isolating oxygen and was also reflected in the decrease in the degree of red shift of the characteristic wavelength for SO42− with increasing concentration. Therefore, the detection results of SO42− showed an effective improvement in sensitivity. Nevertheless, according to the complementary experimental results and theoretical calculations, in addition to oxygen absorption, the low detection accuracy of SO42− high concentration is also attributed to the reduction of the energy required for electronic excitation per unit group caused by the interaction between SO42− groups, resulting in a deviation of the C-A curve from linearity at high concentrations. The influence of this intermolecular force on the detection results is far more important than oxygen absorption. The research can provide reliable theoretical guidance and technical support for the pollution-free direct measurement of high-concentration solutions in the process industry and promote the sustainable development of the process industry. Full article
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