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2 pages, 175 KiB

Open AccessEditorial

Special Issue on the Application of Analytical Chemistry in Pharmaceutical and Biomedicine

by Muzaffar Iqbal

Appl. Sci. 2023, 13(21), 11793; https://0-doi-org.brum.beds.ac.uk/10.3390/app132111793 - 28 Oct 2023

Viewed by 636

Abstract

Pharmaceutical and biomedical products that are developed for therapeutic use are either synthesized in the laboratory or naturally derived from living sources [...] Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

Research

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11 pages, 1491 KiB

Open AccessArticle

Viability of ABO Blood Typing with ATR-FTIR Spectroscopy

by Alfonso Fernández-González, Álvaro J. Obaya, Christian Chimeno-Trinchet, Tania Fontanil and Rosana Badía-Laíño

Appl. Sci. 2023, 13(17), 9650; https://0-doi-org.brum.beds.ac.uk/10.3390/app13179650 - 25 Aug 2023

Cited by 1 | Viewed by 830

Abstract

Fourier Transform Infrared Spectroscopy (FTIR) provides valuable biochemical information for biomedical analysis. It aids in identifying cancerous tissues, diagnosing diseases like acute pancreatitis or Alzheimer’s, and has applications in genomics, proteomics, and metabolomics. A combination of FTIR and chemometrics constitute an approach that [...] Read more.

Fourier Transform Infrared Spectroscopy (FTIR) provides valuable biochemical information for biomedical analysis. It aids in identifying cancerous tissues, diagnosing diseases like acute pancreatitis or Alzheimer’s, and has applications in genomics, proteomics, and metabolomics. A combination of FTIR and chemometrics constitute an approach that shows promise in fields like biology, forensics, food quality control, and plant variety identification. This study aims to explore the feasibility of ATR-FTIR spectroscopy for identifying ABO-blood types using spectroscopic tools. We employ various classifying algorithms, including Linear Discriminant Analysis (LDA), Naïve Bayes Classifier (NBC), Principal Component Analysis (PCA), and combinations of these methods, to detect A and B antigens and determine the ABO blood type. The results show that these algorithms predict the blood type to a greater extent than random selection, although they do not match the precision of biochemical blood typing tools. Additionally, our findings suggest the higher sensitivity of the methodology in identifying B antigens compared to A antigens. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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16 pages, 3628 KiB

Open AccessArticle

HPLC with Post-Column Derivatization with Alizarin for Determination of OATD-02, an Anticancer Arginase Inhibitor in Clinical Development

by Elzbieta Sobolewska, Magdalena Tyszkiewicz, Roman Blaszczyk and Magdalena Biesaga

Appl. Sci. 2023, 13(16), 9201; https://0-doi-org.brum.beds.ac.uk/10.3390/app13169201 - 13 Aug 2023

Cited by 1 | Viewed by 1232

Abstract

The aim of this study was to develop an analytical method for selective determination of OATD-02 by high-performance liquid chromatography (HPLC) with post-column derivatization and fluorescence detection (FLD). OATD-02, a new boronic acid derivative, is a highly potent anticancer arginase inhibitor in clinical [...] Read more.

The aim of this study was to develop an analytical method for selective determination of OATD-02 by high-performance liquid chromatography (HPLC) with post-column derivatization and fluorescence detection (FLD). OATD-02, a new boronic acid derivative, is a highly potent anticancer arginase inhibitor in clinical development. Chromatographic analysis of OATD-02 poses problems because this molecule has weak ultraviolet absorption. The derivatization reaction was based on the reaction between boronic acid from OATD-02 and alizarin solution. The optimized mobile phase consisted of a mixture of sodium bicarbonate in water and acetonitrile at a flow rate of 0.50 mL/min. Alizarin solution in methanol was delivered at a flow rate of 0.50 mL/min. The fluorescent complexes were detected by a fluorescence detector (excitation and emission wavelengths at 470 and 580 nm, respectively). The present method demonstrated proper values for selectivity, linearity, recovery (>99%), precision (RSD: 0.6%), sensitivity (LOD: 20 µg/mL and LOQ: 50 µg/mL), stability of solutions, and robustness. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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12 pages, 1731 KiB

Open AccessArticle

Antioxidant Activity of Sulfate Metabolites of Chlorogenic Acid

by Malgorzata Rogozinska, Kamil Lisiecki, Zbigniew Czarnocki and Magdalena Biesaga

Appl. Sci. 2023, 13(4), 2192; https://0-doi-org.brum.beds.ac.uk/10.3390/app13042192 - 8 Feb 2023

Cited by 2 | Viewed by 1334

Abstract

This study aimed to determine the antioxidant properties of the sulfate monoesters of ferulic, caffeic, dihydroferulic and dihydrocaffeic acids, the main metabolites of chlorogenic acids. These compounds are not commercially available, so they were synthesized in the laboratory. The LC-MS/MS analysis allowed for [...] Read more.

This study aimed to determine the antioxidant properties of the sulfate monoesters of ferulic, caffeic, dihydroferulic and dihydrocaffeic acids, the main metabolites of chlorogenic acids. These compounds are not commercially available, so they were synthesized in the laboratory. The LC-MS/MS analysis allowed for the full characterization of these derivatives, which has made them reliable standards for further research. Purified metabolites including ferulic acid-4-O-sulfate, caffeic acid-4-O-sulfate and caffeic acid-3-O-sulfate, dihydrocaffeic acid-4-O-sulfate and caffeic acid-3-O-sulfate were examined for their antioxidant capacities and compared to their precursor compounds using Folin–Ciocalteu, CUPRAC (cupric ion—reducing) and DPPH• (2,2-diphenyl-1-picrylhydrazyl) methods. This study shows that hydrogenation of caffeic and ferulic acids into dihydrocaffeic and dihydroferulic acids has a positive influence on their reducing properties. Moreover, all synthesized sulfate monoesters exhibited very weak antioxidant properties compared to precursor compounds. The presented results show that the transformation of phenolic acids via sulfation leads to the inhibition of antioxidant properties due to the blockage of hydroxyl groups. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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13 pages, 1315 KiB

Open AccessArticle

Ecofriendly, Simple, Fast and Sensitive UPLC-MS/MS Method for Determination of Erdafitinib, a Novel Tyrosine Kinase Inhibitor, in Plasma and Its Application to Metabolic Stability

by Essam A. Ali, Muzaffar Iqbal, Gamal A. Mostafa, Mohamed R. Alhazani and Yousif A. Asiri

Appl. Sci. 2022, 12(17), 8625; https://0-doi-org.brum.beds.ac.uk/10.3390/app12178625 - 28 Aug 2022

Cited by 2 | Viewed by 1952

Abstract

Erdafitinib is an oral pan-fibroblast growth factor receptor (FGFR) inhibitor and has a potent antitumor activity against FGFR-aberrant malignancies. Erdafitinib has a narrow therapeutic index, and its pharmacokinetics are influenced by genetic variability and interacting medication. Routine therapeutic drug monitoring and dose adjustment [...] Read more.

Erdafitinib is an oral pan-fibroblast growth factor receptor (FGFR) inhibitor and has a potent antitumor activity against FGFR-aberrant malignancies. Erdafitinib has a narrow therapeutic index, and its pharmacokinetics are influenced by genetic variability and interacting medication. Routine therapeutic drug monitoring and dose adjustment are recommended. This study aims at developing a new UPLC-MS/MS method for determination and quantitation of erdafitinib in human plasma using ibrutinib as an internal standard. The sample ionization was performed by using electrospray ionization in positive mode, and multiple reaction monitoring was used for the quantification of target analytes. The chromatographic separation of erdafitinib and IS was achieved by an UPLC BEH C₁₈ column (2.1 mm × 100 mm, 1.7 μm). Erdafitinib metabolic stability was studied using intrinsic clearance and in vitro half-life. The greenness of the developed method was evaluated using appropriate, analytical Eco-Scale and AGREE software. The linearity of the established UPLC-MS/MS assay ranged from 0.5 to 1000 ng/mL with r > 0.99 with a limit of quantitation of 0.5 ng/mL. The accuracy and precision were within acceptable limits and the average recovery and matrix effects were 86.11% and 90.51%, respectively. Erdafitinib metabolic stability was studied and its in vitro half-life was 7.28 min and intrinsic clearance was 95.11 µL/min/mg. The assessment of the greenness profile of the method indicated that the method is eco-friendly. The proposed method can be utilized for therapeutic drug monitoring and pharmacokinetic studies. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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10 pages, 1600 KiB

Open AccessArticle

Quantitative Determination of 5-Aminoisoquinoline, a PARP-1 Inhibitor by UPLC-MS/MS: In Silico ADME Profile and In Vitro Metabolic Stability Study

by Muzaffar Iqbal, Essam A. Ali, Mohd Abul Kalam, Sheikh F. Ahmad and Rashad Al-Salahi

Appl. Sci. 2022, 12(12), 5998; https://0-doi-org.brum.beds.ac.uk/10.3390/app12125998 - 13 Jun 2022

Cited by 1 | Viewed by 1511

Abstract

5-Aminoisoquinoline (5-AIQ) is a water-soluble, potent and selective Poly (ADP-ribose) polymerase 1 (PARP-1) inhibitor, widely used as a biochemical and pharmacological tool to study the inhibitory effect of PARPs enzyme. In this study, a simple, selective and reliable ultra-performance liquid chromatography-tandem mass spectrometry [...] Read more.

5-Aminoisoquinoline (5-AIQ) is a water-soluble, potent and selective Poly (ADP-ribose) polymerase 1 (PARP-1) inhibitor, widely used as a biochemical and pharmacological tool to study the inhibitory effect of PARPs enzyme. In this study, a simple, selective and reliable ultra-performance liquid chromatography-tandem mass spectrometry assay has been developed for the quantitative analysis of 5-AIQ in plasma using pantoprazole as an internal standard (IS). Both 5-AIQ and IS were separated on an Acquity CSH₁₈ (2.1 × 100 mm; 1.7 µm) column after chromatographic elution of mobile phase comprising of 10 mM ammonium acetate and acetonitrile (35:65; v/v) at a flow rate of 0.3 mL/min. Electrospray ionization in positive mode was used for sample ionization and precursor to product ion transitions of 145.0 > 91.0; 145.0 > 117.4 for 5-AIQ and 384.0 > 138.1 for IS were used for detection and quantification in multiple reaction monitoring mode. The assay was linear in the concentration range of 1.0 to 666 ng/mL with correlation coefficient of ≥0.995. The precision and bias were within the acceptable limits of ≤12.68% and −8.6 to 5.9%, respectively, with mean recovery of 79.1% from plasma and negligible matrix effects (92.4%). In silico ADME prediction, 5-AIQ showed to be very soluble in water and high gastrointestinal absorption along with blood–brain barrier (BBB) permeability. The validated assay was successfully applied in a metabolic stability study, and 5-AIQ was moderately metabolized by human liver microsomes with an in vitro half-life of 14.5 min and intrinsic clearance of 47.6 µL/min/mg. The validated method can be utilized for future pharmacokinetic and bio-distribution studies. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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15 pages, 2688 KiB

Open AccessArticle

Influence of Rutin, Sinapic Acid, and Naringenin on Binding of Tyrosine Kinase Inhibitor Erlotinib to Bovine Serum Albumin Using Analytical Techniques Along with Computational Approach

by Tanveer A. Wani, Ahmed H. Bakheit, Seema Zargar, Arwa Ishaq A. Khayyat and Abdulrahman A. Al-Majed

Appl. Sci. 2022, 12(7), 3575; https://0-doi-org.brum.beds.ac.uk/10.3390/app12073575 - 31 Mar 2022

Cited by 36 | Viewed by 2186

Abstract

Flavonoid-containing food supplements are widely used as antioxidants, and the continuous use of these supplements with other drugs can lead to clinically significant interactions between these and other drugs. The medications in systemic circulation are mainly transported by serum albumin, a major transport [...] Read more.

Flavonoid-containing food supplements are widely used as antioxidants, and the continuous use of these supplements with other drugs can lead to clinically significant interactions between these and other drugs. The medications in systemic circulation are mainly transported by serum albumin, a major transport protein. This study evaluated the interactions of rutin (RUT), naringenin (NAR), and sinapic acid (SIN) with the most abundant transport protein, bovine serum albumin (BSA), and the anticancer drug, the tyrosine kinase inhibitor Erlotinib (ETB), using various analytical methods. Interaction between multiple types of ligands with the transport proteins and competition between themselves can lead to the bound ETB’s displacement from the BSA-binding site, leading to elevated ETB concentrations in the systemic circulation. These elevated drug fractions can lead to adverse events and lower tolerance, and increased resistance to the therapeutic regimen of ETB. The experimental and computational methods, including molecular-docking studies, were used to understand the molecular interactions. The results suggested that the complexes formed were utterly different in the binary and the ternary system. Furthermore, comparing the ternary systems amongst themselves, the spectra differed from each other. They thus inferred that complexes formed between BSA-ETB in the presence of each RUT, NAR, and SIN separately were also different, with the highest value of the reduction in the binding energy in RUT, followed by SIN and then NAR. Thus, we conclude that a competitive binding between the ETB and these flavonoids might influence the ETB pharmacokinetics in cancer patients by increasing ETB tolerance or resistance. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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18 pages, 5131 KiB

Open AccessArticle

Synthesis Characterization and X-ray Structure of 2-(2,6-Dichlorophenylamino)-2-imidazoline Tetraphenylborate: Computational Study

by Hazem A. Ghabbour, Ahmed H. Bakheit, Essam Ezzeldin and Gamal A. E. Mostafa

Appl. Sci. 2022, 12(7), 3568; https://0-doi-org.brum.beds.ac.uk/10.3390/app12073568 - 31 Mar 2022

Cited by 8 | Viewed by 1478

Abstract

The title compound tetraphenylborate salt of clonidine (Catapres^®), 2-(2,6-dichlorophenylamino)-2-imidazoline tetraphenylborate (3), was prepared in 76 % yield by the reaction of 2-(2,6-dichlorophenylamino)-2-imidazoline hydrochloride (clonidine hydrochloride) (1) with sodium tetraphenylborate (2) in deionized water through anion [...] Read more.

The title compound tetraphenylborate salt of clonidine (Catapres^®), 2-(2,6-dichlorophenylamino)-2-imidazoline tetraphenylborate (3), was prepared in 76 % yield by the reaction of 2-(2,6-dichlorophenylamino)-2-imidazoline hydrochloride (clonidine hydrochloride) (1) with sodium tetraphenylborate (2) in deionized water through anion exchange reaction at ambient temperature. The structure of the title borate salt was characterized by UV, thermal analysis, mass and NMR analyses. White crystals of (3) suitable for an X-ray structural analysis were obtained by slow growing from acetonitrile. The molecular structure of the titled compound (3) was crystallized in the acetonitrile, P2₁/c, a = 9.151 (3) Å, b = 12.522 (3) Å, c = 25.493 (6) Å, β = 105.161 (13)° V = 2819.5 (13) Å³, Z = 4. A DFT quantum chemistry calculation method was employed to investigate the interaction mechanism of clonidine with tetraphenylborate. The stable configurations of the complexes of clonidine with tetraphenylborate with electrostatic interactions were obtained. Finally, the interaction strength and type of the complexes were studied through the reduced density gradient (RDG) function. This study provides new theoretical insight into the interaction mechanism and a guide for screening and designing the optimal clonidine and tetraphenylborate reacting to form the complex. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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9 pages, 250 KiB

Open AccessFeature PaperArticle

25-hydroxyvitamin D3 Levels and Their Clinical Associations in a Polish Cohort of Systemic Sclerosis Patients: A Cross-Sectional Study

by Paweł Żebryk, Jan Krzysztof Nowak, Tomasz Piorunek, Tatiana Mularek-Kubzdela and Mariusz Puszczewicz

Appl. Sci. 2022, 12(1), 265; https://0-doi-org.brum.beds.ac.uk/10.3390/app12010265 - 28 Dec 2021

Cited by 1 | Viewed by 1268

Abstract

Vitamin D exhibits immunomodulatory effects in autoimmune diseases. We aimed to evaluate the associations of vitamin D levels with clinical and laboratory features of systemic sclerosis (SSc) in a Polish cohort. The study was prospective in design. SSc patients who met ACR-EULAR 2013 [...] Read more.

Vitamin D exhibits immunomodulatory effects in autoimmune diseases. We aimed to evaluate the associations of vitamin D levels with clinical and laboratory features of systemic sclerosis (SSc) in a Polish cohort. The study was prospective in design. SSc patients who met ACR-EULAR 2013 criteria underwent comprehensive clinical and laboratory investigations using the European Scleroderma Trials and Research group (EUSTAR) methodology. We assessed patients’ sera for 25(OH)D3 using a radioimmunoassay, and the cutoff value for vitamin D deficiency was set at 20 ng/mL. Statistical analyses were performed using the Mann–Whitney U test, the Fisher’s exact, and the Spearman’s rho, where appropriate, with a significance threshold set at 0.05. We recruited 68 SSc patients (85% female). The mean 25(OH)D3 level was 21.6 ± 10 ng/mL, and 50% of subjects (n = 34) presented vitamin D deficiency (mean 13.7 ± 3.9 ng/mL). Vitamin D-deficient SSc patients exhibited higher prevalence of arterial hypertension (p = 0.002), proteinuria (p = 0.002), and lung fibrosis (p = 0.032), as well as higher CRP (p = 0.035). The modified Rodnan skin score correlated negatively with 25(OH)D3 in diffuse cutaneous SSc (dcSSc). We found no correlation with the disease duration, age, joints, and the heart. Vitamin D deficiency was common in the studied population of Polish SSc patients and was associated with arterial hypertension, proteinuria, lung involvement, and increased CRP. Full article

(This article belongs to the Special Issue The Application of Analytical Chemistry in Pharmaceutical and Biomedicine)

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