Kermit Murray

@kkmurray.bsky.social

2 days ago

Mechanism of Baxian Huazhuo Decoction in the Treatment of Gouty Arthritis Based on Network Pharmacology, Molecular Docking, and Experimental Verification ABSTRACT The global prevalence of gout continues to rise. Baxian Huazhuo Decoction (BHD) has demonstrated significant efficacy in the clinical treatment of acute gouty arthritis (AGA); however, its mechanism of action remains unclear. This study first employed network pharmacology analysis to identify the key components, targets, and pathways of BHD against AGA. Molecular docking studies validated the binding affinity between the components of BHD and their potential targets. Ultrahigh-performance liquid chromatography–high-resolution mass spectrometry (UHPLC–HRMS) was utilized to identify the active components in BHD and elucidate their fragmentation pathways. Subsequently, a monosodium urate crystal–induced AGA rabbit model was established to evaluate the in vivo therapeutic efficacy of BHD. The results revealed 62 predicted active components and 268 target molecules in BHD, identifying core constituents such as gentiopicroside, limonin, and indirubin, which exhibited high affinity for targets including MAPK1, PPARG, and IL-6. In vivo experiments confirmed that BHD significantly suppressed the phosphorylation of MAPK1, reduced the levels of pro-inflammatory factors such as TNF-α and IL-6, mitigated synovial damage, and inhibited the activation of the PI3K-Akt signaling pathway. This study systematically elucidates the pharmacological basis and mechanisms of action of BHD in the treatment of AGA, providing a scientific basis for its clinical application.

(Biomed Chrom) Mechanism of Baxian Huazhuo Decoction in the Treatment of Gouty Arthritis Based on Network Pharmacology, Molecular Docking, and Experimental Verification: ABSTRACT




The global prevalence of gout continues to rise. Baxian Huazhuo Decoction (BHD) has… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

4 days ago

(Biomed Chrom) Metabolomics Study on Liquorice Extract Ameliorating Acute Uranium‐Induced Damage in Rats: ABSTRACT




Licorice (Gancao in Chinese, GC), a traditional antidote with “universal detoxifying” properties, has been reported to promote uranium excretion via… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

1 week ago

Determination of Encapsulated and Unencapsulated Amphotericin B in Dog Plasma by LC–MS/MS Coupled With a Simple and Efficient Solid‐Phase Extraction: Application to a Pharmacokinetic Study of Liposomal Amphotericin B ABSTRACT A convenient and reliable SPE method coupled with a specific and sensitive LC–MS/MS technique was developed and validated for the separation and determination of unencapsulated amphotericin B (F-AMB) and encapsulated amphotericin B (L-AMB) in dog plasma. L-AMB and F-AMB in the biomatrix were simultaneously separated by Oasis HLB SPE column using natamycin as the internal standard (IS). Chromatographic separation was achieved on a ZORBAX Eclipse XDB C18 column with gradient elution at a flow rate of 0.5 mL/min. The mobile phase consisted of methanol (0.1% formic acid) and a 5-mM ammonium acetate solution (0.1% formic acid). Mass spectrometry detection was performed in positive ion mode with an electrospray ionization source. Apart from regular quality control (QC) samples, a series of cross-QCs was adopted to verify the specificity and reproducibility of the quantification. We showed that F-AMB and L-AMB were completely separated without mutual interference in the quantitative linearity ranges of F-AMB and L-AMB, which were 10.0–800 and 100–25,000 ng/mL, respectively. The method was then applied to a pharmacokinetic study of liposomal amphotericin B in beagle dogs, and excellent ISR results were obtained for both L-AMB and F-AMB assays.

(Biomed Chrom) Determination of Encapsulated and Unencapsulated Amphotericin B in Dog Plasma by LC–MS/MS Coupled With a Simple and Efficient Solid‐Phase Extraction: Application to a Pharmacokinetic Study of Liposomal Amphotericin B: ABSTRACT




A convenient and reliable… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

1 week ago

UPLC‐Q‐TOF‐MS‐Driven Systems Pharmacology Analysis of Dengzhan Shengmai Capsule Against Heart Failure: Integrating Serum/Tissue Distribution, Molecular Docking, and scRNA‐seq Evidence ABSTRACT Heart failure (HF) affects over 64 million individuals globally, and its prevalence continues to escalate, driven by population aging and the rising burden of metabolic disorders. Dengzhan Shengmai (DZSM) capsule, a classical Traditional Chinese Medicine formulation, has demonstrated therapeutic potential for HF. However, its bioactive constituents and underlying molecular mechanisms remain largely unexplored. We employed ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) to characterize the metabolic profiles of DZSM in rat serum, cardiac, and hepatic tissues. Network pharmacology and bioinformatics approaches were subsequently applied to identify potential targets of these metabolites. Our integrated analytical framework encompassed protein–protein interaction (PPI) network construction, hub gene identification, Gene Ontology (GO) enrichment, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis, miRNA-mRNA regulatory network analysis, core pathway evaluation, and gene-disease association mapping. Molecular docking, Western blot and RNA sequencing were performed to validate key bioactive components and their corresponding targets. We identified 67, 36, and 37 characteristic metabolites in serum, cardiac, and hepatic tissues, respectively. Critical bioactive compounds include caffeic acid, ferulic acid, quercetin-3-O-glucuronide, hyperoside, scutellarin, schizandrin A, and schizandrin B. The core therapeutic targets were identified as STAT3, CDK5, NOX4, and JAK2 in the chemokine signaling pathway. These biomarkers appear to influence HF treatment through modulation of CCL2-CCR2 axis, JAK-STAT, and MAPK signaling pathways. Molecular docking confirmed strong binding affinities between bioactive components and target proteins. Western blot results demonstrated that scutellarin dose-dependently inhibited the phosphorylation of JAK2 and STAT3 induced by oxygen–glucose deprivation/reoxygenation (OGD/R), with JAK2 and STAT3 total proteins remain almost unchanged. Single-cell RNA sequencing spatially mapped the expression patterns of key targets in myocardial tissue. Integrated serum/tissue pharmacochemistry and systems pharmacology elucidate DZSM's bioactive constituents and mechanistic foundations for HF intervention.

(Biomed Chrom) UPLC‐Q‐TOF‐MS‐Driven Systems Pharmacology Analysis of Dengzhan Shengmai Capsule Against Heart Failure: Integrating Serum/Tissue Distribution, Molecular Docking, and scRNA‐seq Evidence: ABSTRACT




Heart failure (HF) affects over 64 million individuals… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

1 week ago

Metabolomics Reveals the Mechanism of American Ginseng in Alleviating Insulin Resistance by Reversing Metabolic Disorders in HepG2 Cells ABSTRACT American ginseng (Panax quinquefolium L.) is a traditional Chinese medicinal herb that has been used in China for hundreds of years. The significant hypoglycemic activity of American ginseng has made it widely used in health food as a valuable medicinal herb with homologous origin. However, its effect and mechanism of improving insulin resistance (IR) remain unclear. In the present study, an IR-HepG2 cells model induced by high concentrations of insulin was constructed and treated with ethanol extract of dried American ginseng (EDAG) at different concentrations to reveal the in vitro ameliorative effect of EDAG on IR by monitoring glucose consumption, glycogen content, triglyceride (TG) content, and total cholesterol (TC) content of the cells. The cell metabolite changes were tracked by liquid chromatography-mass spectrometry (LC-MS)-based metabolomics combined with multivariate statistical analysis, the metabolic biomarkers and related metabolic pathways were analyzed, and further elucidate its mechanism of action. The results showed that treatment with EDAG increased glucose consumption and glycogen content, and decreased intracellular TC and TG content in IR-HepG2 cells to different degrees. The results of cell metabolomics indicated that EDAG treatment reversed metabolic disorders by regulating sphingolipid metabolism, linoleic acid metabolism, and arginine and proline metabolism, etc. The present study explored the in vitro IR improvement mechanism of EDAG based on the LC-MS cell metabolomics approach, which confirms the great potential of LC-MS technology in the evaluation of drug efficacy and can be an effective tool for the related analysis of other Chinese herbal medicines.

(Biomed Chrom) Metabolomics Reveals the Mechanism of American Ginseng in Alleviating Insulin Resistance by Reversing Metabolic Disorders in HepG2 Cells: ABSTRACT

American ginseng (Panax quinquefolium L.) is a traditional Chinese medicinal herb that has been used in China… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

2 weeks ago

First Establishment of LC–MS/MS Method for Quantitative Analysis of Pharmacokinetics and Tissue Distribution of Trilobatin—Comparison of Three Administration Modes ABSTRACT Trilobatin is a novel dihydrochalcone natural food additive. It has multiple functions such as anti-inflammatory, antioxidant, and anticancer effects. This study first developed and validated a method based on liquid chromatography–tandem mass spectrometry for the quantitative determination of trilobatin in rat plasma and tissues. The method demonstrated high precision, high accuracy, good extraction recovery, and minimal matrix effects. Subsequently, this method was used to study the pharmacokinetics and tissue distribution of trilobatin after oral, intravenous, and intraperitoneal administration in rats. Pharmacokinetic analysis showed that trilobatin was rapidly absorbed after oral administration with a T max of 1 h, and T max was also approximately 1 h after intraperitoneal administration. Compared to intravenous injection, the relative bioavailability of oral administration and intraperitoneal injection is only 0.004% and 0.3%, respectively. Tissue distribution results from the three administration routes indicated that trilobatin exhibits widespread tissue distribution. These findings provide a theoretical basis for further research on trilobatin. This study provides detailed insights into the pharmacokinetic and tissue distribution characteristics of trilobatin in rats for the first time, laying the foundation for further research on trilobatin as a potential new drug candidate.

(Biomed Chrom) First Establishment of LC–MS/MS Method for Quantitative Analysis of Pharmacokinetics and Tissue Distribution of Trilobatin—Comparison of Three Administration Modes: ABSTRACT




Trilobatin is a novel dihydrochalcone natural food additive. It has multiple… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

3 weeks ago

Pharmacokinetics, Bioavailability, and Metabolism of Zongertinib, a Novel HER2‐Selective Tyrosine Kinase Inhibitor, in Rat by Liquid Chromatography Hyphenated With Electrospray Ionization Tandem Mass Spectrometry ABSTRACT Zongertinib, a selective human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitor, has been approved by the US Food and Drug Administration for the treatment of non-small cell lung cancer. This study aimed to develop a sensitive and cost-effective LC–MS/MS method for quantifying zongertinib in rat plasma. Following protein precipitation with acetonitrile, samples were analyzed on an ACQUITY BEH C18 column using a gradient of 0.1% formic acid and acetonitrile at 40°C within a 2-min run time. The assay demonstrated excellent linearity from 1 to 1000 ng/mL (r > 0.995). All validation parameters—including precision, accuracy, matrix effect, recovery, and stability—met accepted criteria for bioanalytical quantification. The validated method was successfully applied to a pharmacokinetic study in rats. Additionally, metabolites in rat plasma were investigated using LC-Orbitrap-HRMS. Three metabolites were identified and structurally characterized based on accurate mass and fragmentation patterns, revealing metabolic pathways such as oxygenation, demethylation, and epoxide hydrolysis. This is the first report on the method validation for the measurement of zongertinib in biological matrices, which enables clinical development of zongertinib and can be applied for clinical pharmacokinetics and therapeutic drug monitoring in future clinical practice.

(Biomed Chrom) Pharmacokinetics, Bioavailability, and Metabolism of Zongertinib, a Novel HER2‐Selective Tyrosine Kinase Inhibitor, in Rat by Liquid Chromatography Hyphenated With Electrospray Ionization Tandem Mass Spectrometry: ABSTRACT




Zongertinib, a selective human… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

4 weeks ago

Residue Behaviors and Dietary Risks of Aryloxyphenoxy Propionate Herbicides in Rice Ecosystem by UPLC‐MS/MS ABSTRACT Currently, aryloxyphenoxy propionate (AOPP) herbicides, famous second only to glyphosate, have been widely used worldwide, such as cyhalofop-butyl, metamifop in rice ecosystem. In this work, field trials and QuEChERS liquid chromatography tandem mass spectrometry (LC-MS/MS) gave comprehensive residues in rice ecosystem for cyhalofop-butyl, metamifop, and their metabolites. Field trials involved 12 rice varieties and 12 sites with different climates and conditions. The determination method was reliable with average recoveries of seven analytes in brown rice, husk, and straw between 90.2% and 110.0%, with RSDs ≤ 16.0%. LOQs for seven analytes were lower than 0.01 mg/kg. Their degradation rates were

(Biomed Chrom) Residue Behaviors and Dietary Risks of Aryloxyphenoxy Propionate Herbicides in Rice Ecosystem by UPLC‐MS/MS: ABSTRACT




Currently, aryloxyphenoxy propionate (AOPP) herbicides, famous second only to glyphosate, have been widely used worldwide, such as… #massSpecRSS #biomedchrom

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

Development and Validation of a UPLC‐MS/MS Method for the Determination of Apalutamide in Human Plasma and Its Application in a Bioequivalence Study A UPLC-MS/MS method was developed for determining apalutamide (APT) in human plasma, applied to a bioequivalence study of two tablet formulations. Plasma samples were pretreated by protein precipitat....

Development and Validation of a UPLC‐MS/MS Method for the Determination of Apalutamide in Human Plasma and Its Application in a Bioequivalence Study #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

Integrated Assessment of Three NDSRIs Through CPCA Prioritization, In Silico Toxicity Assessment, and Stability Indicating LC‐MS/MS Method for Avatrombopag Maleate Avatrombopag maleate (AOG), a thrombopoietin receptor agonist, is a generic drug for which a viable route of synthesis has been identified, in which three nitrosamine drug substance–related impuritie...

Integrated Assessment of Three NDSRIs Through CPCA Prioritization, In Silico Toxicity Assessment, and Stability Indicating LC‐MS/MS Method for Avatrombopag Maleate - Venkatarao #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Kermit Murray

@kkmurray.bsky.social

1 month ago

Identification of Quality Markers in Viola kunawaresis Royel Using HPLC Fingerprints, Chemometric Analysis, and Network Pharmacology ABSTRACT Violae tianshanicae herba (VTH), a widely used crude drug in Uyghur medicine in China, is renowned for its immunomodulatory, anti-inflammatory, antibacterial, antiviral, and antidiabetic activities, with notable efficacy in treating asthma. However, systematic research on its quality markers (Q-markers) remains limited, underscoring the need to analyze its chemical composition to enable effective quality control. A high-performance liquid chromatography (HPLC) fingerprint method was developed for 21 VTH batches in order to identify the common peaks of 23 flavonoids and esculetin, which were verified using liquid chromatography-mass spectrometry (LC–MS) and reference standards. In this study, chemometric methods were employed to differentiate samples from four geographical origins and to screen for differential components. In addition, a thorough examination of virtual target prediction in network pharmacology, in conjunction with molecular docking validation, has identified Q-markers with potential antiasthmatic effects. A group of six representative Q-markers (including kaempferol 3-O-sophorosyl-7-O-glucoside, esculetin, kaempferol 3-O-rutinosyl-7-O-glucoside, nicotiflorin, narcissoside, and astragalin) was selected for the purpose of developing a method to quantitatively analyze these components simultaneously in VTH samples. This study provides important references for the comprehensive quality control of VTH and establishes the foundation for researchers to explore the chemical basis and mechanisms of action of VTH.

(Biomed Chrom) Identification of Quality Markers in Viola kunawaresis Royel Using HPLC Fingerprints, Chemometric Analysis, and Network Pharmacology: ABSTRACT




Violae tianshanicae herba (VTH), a widely used crude drug in Uyghur medicine in China, is renowned for its… #massSpecRSS #biomedchrom

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

Identification and Quantitation of Cardiac Hypertrophy Inhibitory Components in Trichosanthis Pericarpium Injection Based on UHPLC‐QE‐MS and Spectrum–Effect Relationships Trichosanthis Pericarpium injection (TPI) is a Chinese patent medicine for coronary heart disease and stable angina pectoris. This study aimed to integrate UHPLC-QE-MS with fingerprint–effect relatio...

Identification and Quantitation of Cardiac Hypertrophy Inhibitory Components in Trichosanthis Pericarpium Injection Based on UHPLC‐QE‐MS and Spectrum–Effect Relationships #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

Metabolite Profiling and Identification of Semaglutide in Liver S9 Across Species and Rat Plasma Semaglutide, a glucagon-like peptide-1 receptor agonist, stands as a paradigm of successful peptide drug development. Although absorption, distribution, metabolism and excretion characteristics of se...

Metabolite Profiling and Identification of Semaglutide in Liver S9 Across Species and Rat Plasma #BiomedChrom #MassSpec analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Kermit Murray

@kkmurray.bsky.social

1 month ago

Metabolite Profiling and Identification of Semaglutide in Liver S9 Across Species and Rat Plasma ABSTRACT Semaglutide, a glucagon-like peptide-1 receptor agonist, stands as a paradigm of successful peptide drug development. Although absorption, distribution, metabolism and excretion characteristics of semaglutide have been thoroughly studied in both animals and humans, a reliable in vitro screening model for evaluating metabolic behavior of semaglutide and other peptides remains an unmet need in drug development. This study established a novel ultrahigh performance liquid chromatography coupled to high-resolution mass spectrometry method to elucidate the species-specific metabolic pathways of semaglutide. Semaglutide was incubated with liver S9 fractions from human, monkey, dog, rat, and mouse for 1 h, respectively. For the in vivo study, rats were subcutaneously injected with semaglutide (10 mg/kg) for subsequent plasma collection. Data-dependent acquisition was performed to obtain the fragment ions, enabling identification of drug-related materials. Notably, a diagnostic fragment ion at m/z 469, formed from the cleavage of side chain, facilitated metabolite screening. Consequently, a total of 31 metabolites were detected and characterized, constituting a comprehensive metabolic profile of semaglutide in liver S9 fractions and rat plasma. Major metabolic pathways involved hydrolysis of peptide backbone. Our findings provided a robust methodological framework for the screening and metabolism prediction of peptide candidates, supporting the comprehensive safety and efficacy assessment.

(Biomed Chrom) Metabolite Profiling and Identification of Semaglutide in Liver S9 Across Species and Rat Plasma: ABSTRACT




Semaglutide, a glucagon-like peptide-1 receptor agonist, stands as a paradigm of successful peptide drug development. Although absorption,… #massSpecRSS #biomedchrom

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

Therapeutic Drug Monitoring of Clobazam, Perampanel, and Lacosamide Using a UPLC‐MS/MS Method: Analysis of 5‐Year Experience in a Large Cohort of Pediatric Epilepsy Patients From China This study aims to develop an ultra high-performance liquid chromatography–mass spectrometry (UPLC-MS/MS) method to quantify clobazam, perampanel, and lacosamide plasma concentrations in pediatric ep...

Therapeutic Drug Monitoring of Clobazam, Perampanel, and Lacosamide Using a UPLC‐MS/MS Method: Analysis of 5‐Year Experience in a Large Cohort of Pediatric Epilepsy Patients From China #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

A Simple and Sensitive LC‐MS/MS Method for Quantification of Capsaicin in Human Plasma and Its Application to a Clinical Pharmacokinetic Study Capsaicin, a transient receptor potential vanilloid 1 (TRPV1) agonist, is used topically for neuropathic pain. Its minimal systemic absorption necessitates highly sensitive quantification methods to ...

A Simple and Sensitive LC‐MS/MS Method for Quantification of Capsaicin in Human Plasma and Its Application to a Clinical Pharmacokinetic Study #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Kermit Murray

@kkmurray.bsky.social

1 month ago

Therapeutic Drug Monitoring of Clobazam, Perampanel, and Lacosamide Using a UPLC‐MS/MS Method: Analysis of 5‐Year Experience in a Large Cohort of Pediatric Epilepsy Patients From China ABSTRACT This study aims to develop an ultra high-performance liquid chromatography–mass spectrometry (UPLC-MS/MS) method to quantify clobazam, perampanel, and lacosamide plasma concentrations in pediatric epilepsy patients. Elution was performed using a gradient elution program, with a mobile phase composed of 0.01% formic acid in water and 0.01% formic acid in acetonitrile. The flow rate was 0.6 mL/min. The injector temperature was 10°C. The injection volume was 4 μL. Linearity, sensitivity, precision, accuracy, specificity, carryover, and extraction recovery were evaluated. Therapeutic drug monitoring data of 1132 samples were analyzed. The method was linear within 10–600 ng/mL, 100–2000 ng/mL, and 1.0–30.0 μg/mL for clobazam, perampanel, and lacosamide, respectively (r ≥ 0.998). The results indicated that the within-run and between-run precision coefficient of variation (CV %) did not exceed 15.0%, and that the accuracy (bias) ranged from −8.3% to 13.6%. Recovery ranged from 90.9% to 108.1%. All plasma samples could be maintained for up to 3 h at ambient temperature, 24 h at 4°C, 30 days at −30°C, and after successive freeze–thaw cycles in the absence of significant degradation. We successfully developed a simple and rapid LC-MS/MS method for the simultaneous measurement of three new generation ASMs, and successfully applied it to clinical practice.

(Biomed Chrom) Therapeutic Drug Monitoring of Clobazam, Perampanel, and Lacosamide Using a UPLC‐MS/MS Method: Analysis of 5‐Year Experience in a Large Cohort of Pediatric Epilepsy Patients From China: ABSTRACT




This study aims to develop an ultra high-performance liquid… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

1 month ago

A Simple and Sensitive LC‐MS/MS Method for Quantification of Capsaicin in Human Plasma and Its Application to a Clinical Pharmacokinetic Study ABSTRACT Capsaicin, a transient receptor potential vanilloid 1 (TRPV1) agonist, is used topically for neuropathic pain. Its minimal systemic absorption necessitates highly sensitive quantification methods to accurately assess systemic exposure. This study aimed to develop and validate a simple, rapid, and highly sensitive liquid chromatography–tandem mass spectrometry (LC-MS/MS) method for the quantification of capsaicin in human plasma. Plasma samples (50 μL) were prepared by a simple protein precipitation using acetonitrile, with capsaicin-d3 as the internal standard (IS). Chromatographic separation was performed on a Waters Xbridge C18 column (2.1 × 50 mm, 3.5 μm) with a 3-min gradient elution using 1% formic acid in water and acetonitrile. Detection was conducted on a triple quadrupole tandem mass spectrometer in positive electrospray ionization (ESI) mode, utilizing multiple-reaction monitoring (MRM). The assay was validated over the linear range of 0.05–50 ng/mL. The method demonstrated excellent precision (CV% ≤ 11.62%) and accuracy (RE% within ±13.60%), with high recovery (>95%). Stability was confirmed under various conditions relevant to clinical sample handling. The validated method was successfully applied to a pharmacokinetic study involving 24 patients with knee osteoarthritis receiving a topical capsaicin liniment, demonstrating its suitability for clinical applications.

(Biomed Chrom) A Simple and Sensitive LC‐MS/MS Method for Quantification of Capsaicin in Human Plasma and Its Application to a Clinical Pharmacokinetic Study: ABSTRACT




Capsaicin, a transient receptor potential vanilloid 1 (TRPV1) agonist, is used topically for… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

1 month ago

Development and Validation of a Liquid Chromatograph–Tandem Mass Spectrometry Method for Quantifying Ganciclovir in Dried Blood Spots for Therapeutic Drug Monitoring ABSTRACT Valganciclovir (VGCV) is the first-line drug for preemptive therapy of cytomegalovirus (CMV) infection. However, even at standard doses, plasma concentrations of the active metabolite ganciclovir (GCV) show substantial inter-individual variability. To ensure therapeutic efficacy and minimize adverse effects, therapeutic drug monitoring (TDM) based on the area under the concentration–time curve (AUC) is essential. Yet, conventional TDM via venous blood sampling is invasive and unsuitable for frequent monitoring. In this study, we aimed to develop a simple and minimally invasive method for GCV quantification using dried blood spots (DBS) combined with liquid chromatography–tandem mass spectrometry (LC–MS/MS). The method demonstrated a good linearity over a concentration range of 0.25–16 μg/mL and satisfied the validation criteria for accuracy and precision. It showed acceptable stability for up to 7 days under refrigerated conditions. Methanol was identified as the optimal extraction solvent, allowing for a simplified sample pretreatment without the need for ultrasonic processing. While hematocrit levels affected spot size and quantification accuracy, reliable measurements were obtained within the 30%–50% hematocrit range. The established DBS-based LC–MS/MS method provides a promising, minimally invasive approach for TDM of GCV in the management of CMV infections.

(Biomed Chrom) Development and Validation of a Liquid Chromatograph–Tandem Mass Spectrometry Method for Quantifying Ganciclovir in Dried Blood Spots for Therapeutic Drug Monitoring: ABSTRACT




Valganciclovir (VGCV) is the first-line drug for preemptive therapy of… #massSpecRSS #biomedchrom

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

Development and Validation of a Liquid Chromatograph–Tandem Mass Spectrometry Method for Quantifying Ganciclovir in Dried Blood Spots for Therapeutic Drug Monitoring Valganciclovir (VGCV) is the first-line drug for preemptive therapy of cytomegalovirus (CMV) infection. However, even at standard doses, plasma concentrations of the active metabolite ganciclovir (GC...

Development and Validation of a Liquid Chromatograph–Tandem Mass Spectrometry Method for Quantifying Ganciclovir in Dried Blood Spots for Therapeutic Drug Monitoring #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

1 month ago

A New Precolumn Derivatization LC‐MS/MS Method for the Determination of Methoxamine Enantiomers in Rat Plasma: Application to Stereoselective Pharmacokinetic Analysis Methoxamine is a selective α-adrenergic receptor agonist used to manage hypotension during anesthesia and prevent cardiac arrhythmias. Erythro-methoxamine, a racemic mixture, is clinically administer....

A New Precolumn Derivatization LC‐MS/MS Method for the Determination of Methoxamine Enantiomers in Rat Plasma: Application to Stereoselective Pharmacokinetic Analysis #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Kermit Murray

@kkmurray.bsky.social

1 month ago

Advances in Analytical Strategies for Precise Quantification of Topoisomerase Inhibitors: Current Trends and Future Directions ABSTRACT Topoisomerase inhibitors (TIs) are a cornerstone class of anticancer and antimicrobial agents, yet their accurate quantification in pharmaceutical formulations and biological matrices remains analytically challenging. These difficulties stem from marked structural diversity, poor aqueous solubility, narrow therapeutic windows, very low circulating concentrations, chemical instability, and, for camptothecin derivatives, pH-dependent interconversion between active lactone and inactive carboxylate forms. This review critically evaluates current analytical approaches for determining widely used TIs, including topotecan, irinotecan, etoposide, epirubicin, dexrazoxane, and camptothecin, with emphasis on selectivity, sensitivity, applicability, and robustness in complex matrices. Conventional spectroscopic methods and HPLC with UV or fluorescence detection remain useful for formulation analysis and preliminary screening but often lack sufficient selectivity and sensitivity for biological samples. Electrochemical techniques, especially those employing nanomaterials or molecular recognition elements, offer high sensitivity and low sample consumption; however, their routine application is limited by matrix effects and scarce regulatory validation. In contrast, ultrahigh-performance liquid chromatography coupled with tandem or high-resolution mass spectrometry (UHPLC–MS/MS or UHPLC–HRMS) provides superior selectivity, sub-ng mL−1 sensitivity, and reliable discrimination of parent drugs and metabolites across diverse matrices. Overall, UHPLC–MS-based methods emerge as the current gold standard for TI quantification, supporting clinical, pharmacokinetic, and regulatory applications in modern analytical science.

(Biomed Chrom) Advances in Analytical Strategies for Precise Quantification of Topoisomerase Inhibitors: Current Trends and Future Directions: ABSTRACT




Topoisomerase inhibitors (TIs) are a cornerstone class of anticancer and antimicrobial agents, yet their accurate… #massSpecRSS #biomedchrom

Kermit Murray

@kkmurray.bsky.social

1 month ago

Effect of Fuzheng Pill on Liver Cancer via the Mitochondrial Apoptosis Pathway ABSTRACT Fuzheng pill (FZP) is a traditional Chinese medicine formula with anti-hepatocellular carcinoma (HCC) effect in clinical practice, but its therapeutic mechanism is still unclear. In this study, ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry method was used to analyze the chemical composition of FZP, and combined with in vivo and in vitro experiments, to explore its potential mechanism of action in the treatment of liver cancer. A total of 236 components were identified in FZP. In vivo experiments revealed that FZP suppressed tumor growth, improved immune function, and reversed liver and kidney injury caused by tumors, as shown by significant increases in the immune organ index, and that the levels of IFN-γ, IL-2, and TNF-α significantly increased after its administration. Serum biochemical indicators of liver and kidney function decreased. FZP inhibited the proliferation of HepG2 cells. Flow cytometry and Western blot results revealed that FZP modulated the expression levels of Bcl-2, Bax, Caspase-3, and cleaved Caspase-3, and promoted cell apoptosis. FZP may promote the apoptosis of tumor cells by activating the endogenous Bax/Bcl-2/cleaved Caspase-3 apoptosis pathway, which is mediated by mitochondria. These findings revealed the potential of FZP in the treatment of HCC and provided more treatment options for patients.

(Biomed Chrom) Effect of Fuzheng Pill on Liver Cancer via the Mitochondrial Apoptosis Pathway: ABSTRACT




Fuzheng pill (FZP) is a traditional Chinese medicine formula with anti-hepatocellular carcinoma (HCC) effect in clinical practice, but its therapeutic mechanism is… #massSpecRSS #biomedchrom

BioMassSpec

@realbiomassspec.bsky.social

2 months ago

Exploration of Potential Pharmacodynamic Components and Mechanisms of Yishen Ningxin Formula for Hypertension Comorbid Insomnia via UPLC‐QE‐MS and Network Pharmacology This study investigated the chemical profile and therapeutic mechanisms of the Yishen Ningxin Formula (YSNXF) in treating hypertension comorbid with insomnia through an integrated approach involving ...

Exploration of Potential Pharmacodynamic Components and Mechanisms of Yishen Ningxin Formula for Hypertension Comorbid Insomnia via UPLC‐QE‐MS and Network Pharmacology #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

2 months ago

Bioanalytical UHPLC–MS/MS Method for Quantification of Terbinafine in Ungual Delivery Studies Terbinafine is considered the first-line treatment for dermatophyte-induced onychomycosis. This study aimed to develop a fast, selective, and sensitive UHPLC–MS/MS method for the quantification of te...

Bioanalytical UHPLC–MS/MS Method for Quantification of Terbinafine in Ungual Delivery Studies #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

2 months ago

Unraveling the Material Basis of Compound Nanxing Zhitong Plaster: A Multimodal Study Combining Chemical Analysis, Network Pharmacology, and Transdermal Pharmacokinetics Compound Nanxing Zhitong Plaster (CNZP) is a topical formulation widely used for rheumatoid arthritis (RA), yet its pharmacodynamic material basis is not fully understood. We established a strategy i...

Unraveling the Material Basis of Compound Nanxing Zhitong Plaster: A Multimodal Study Combining Chemical Analysis, Network Pharmacology, and Transdermal Pharmacokinetics #BiomedChrom #MassSpec analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

2 months ago

Development of a High‐Throughput LC–MS/MS Method for Simultaneous Quantification of Four Therapeutic Monoclonal Antibodies in Human Serum: Application in Clinical Therapeutic Drug Monitoring Monoclonal antibody (mAb) therapies have revolutionized cancer treatment, significantly improving patient outcomes. However, the pharmacokinetics (PK) and pharmacodynamics (PD) of mAbs exhibit consid...

Development of a High‐Throughput LC–MS/MS Method for Simultaneous Quantification of Four Therapeutic Monoclonal Antibodies in Human Serum: Application in Clinical Therapeutic Drug Monitoring #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

BioMassSpec

@realbiomassspec.bsky.social

2 months ago

Methodological Approaches for Extraction, Chromatographic and Mass Spectrometric Analysis of Lipids Lipids are a diverse class of molecules that mediate numerous structural and functional properties of cells, including trafficking, regulation of membrane proteins, and subcellular compartmentalizati...

Methodological Approaches for Extraction, Chromatographic and Mass Spectrometric Analysis of Lipids #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Kermit Murray

@kkmurray.bsky.social

2 months ago

Methodological Approaches for Extraction, Chromatographic and Mass Spectrometric Analysis of Lipids ABSTRACT Lipids are a diverse class of molecules that mediate numerous structural and functional properties of cells, including trafficking, regulation of membrane proteins, and subcellular compartmentalization. They are the main constituents of biological membranes and mediate transmembrane signaling and structural dynamics. The chemical and structural complexity of lipids makes analysis using a single experimental approach challenging. As such, multiple techniques are used to extract, separate, detect, and quantify lipids, which depend on the specific lipid species and the model being studied. Lipidomics can advance our understanding of the biochemical mechanisms by which lipid-lipid and/or lipid-protein interactions mediate cell growth and death, as well as disease, and provide valuable information for the diagnosis and prognosis of diseases. This review provides an overview of essential methods for the examination of lipids, including extraction methods, chromatographic techniques, and approaches for mass spectrometric analysis. It presents the advantages and disadvantages of commonly used extraction approaches, separation techniques, and mass spectrometry analysis. It emphasizes the need for further standardization of protocols to allow integration of data derived from different platforms. Finally, it discusses the existing opportunities in the field, especially with regard to mass spectrometry imaging and single cell analysis.

(Biomed Chrom) Methodological Approaches for Extraction, Chromatographic and Mass Spectrometric Analysis of Lipids: ABSTRACT




Lipids are a diverse class of molecules that mediate numerous structural and functional properties of cells, including trafficking, regulation… #massSpecRSS #biomedchrom

BioMassSpec

@realbiomassspec.bsky.social

2 months ago

Phytochemical Analysis of Veratrum Alkaloids in Medicinal Veratrum Globules Using High‐Performance Liquid Chromatography Coupled With Tandem Mass Spectrometry Veratrum L. species have been used in traditional medicine for centuries due to their bioactive properties, yet they also contain toxic steroid alkaloids that pose potential health risks when present....

Phytochemical Analysis of Veratrum Alkaloids in Medicinal Veratrum Globules Using High‐Performance Liquid Chromatography Coupled With Tandem Mass Spectrometry #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...