N-coordinated iron sites dispersed in porous carbon frameworks to activate peroxymonosulfate for efficient sulfisoxazole degradation and real hospital wastewater decontamination

Article

Author: Xiong, Zhaokun ; Gu, Lingyun ; Yu, Chunxiu ; Long, Quan ; Shi, Hongle ; Chen, Kexin ; Zhang, Li ; Wu, Zelin ; Lai, Bo ; Wu, Yi

Herein, an N-coordinated Fe site dispersed in porous carbon frameworks (Fe-NC) fabricated from zeolitic imidazolate frameworks encapsulated with iron acetylacetonate (Fe(acac)₃ @ZIFs) was employed to activate peroxymonosulfate (PMS) for the attenuation of sulfisoxazole (SIZ) and treating real hospital wastewater. The constructed Fe-NC/PMS system exhibited good catalytic stability for SIZ degradation, maintaining excellent degradation performance over multiple cycles with virtually no leaching. The quenching experiments, electron paramagnetic resonance (EPR) capture analyses, and semi-quantitative measurements showed that singlet oxygen (¹O₂) and high-valent metal-oxo species were mainly responsible for SIZ degradation by Fe-NC/PMS. Significantly, ultra-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS) was used to trace 134 pharmaceutical contaminants in real hospital wastewater. Effective degradation was achieved for 87 % of the pharmaceutical contaminants by the Fe-NC/PMS process. Seventy-four pharmaceutical contaminants were eliminated. Taken together, this work successfully established the Fe-NC/PMS technology using the developed iron-based materials and explored its application to real hospital wastewater treatment, providing an eco-friendly and effective strategy for treating wastewater.

08 Oct 2024·Analytical Chemistry

Role of the Power Function Value in Linearity and Universality for Charged Aerosol Detectors: Theoretical Elucidations from a Validated Model

Article

Author: Barnhart, Wesley W. ; Roy, Daipayan ; Handlovic, Troy T. ; Haidar Ahmad, Imad A.

High-throughput drug discovery on the microgram scale is now common, making analyte quantitation without molecule-specific calibration imperative. The charged aerosol detector (CAD) was invented to be a next-generation universal liquid chromatography (LC) detector with excellent response universality for nonvolatile analytes as well as sensitivity for nonchromophoric compounds. Although the CAD is a mass flow-sensitive detector, its response to mass is inherently nonlinear, which challenges traditional quantitation. In CAD software, there is a "power function value" (p) setting that can be used to linearize the signal through digital signal processing. The exact workings of this power function value algorithm remain unknown; however, its optimization is a crucial aspect of analytical method development for LC-CAD. Herein, we developed a theoretical relationship that can be used to predict the chromatogram (plus peak area, width, and height) at any p if the data are collected at p = 1. This model was validated using a diverse dataset comprising 1440 measurements including peak heights, areas, and widths. Predicted areas had an average error of less than 2% showing excellent agreement between calculated and experimental results. An open-access automated code is tested and provided, which predicts the power function value that produces the most linear response. It is vital to note that optimizing the power function value affects peaks of different heights disproportionately. Low-level impurities were shown to be minimized and eventually eliminated by increasing the power function value. This model provides an easy-to-implement tool (MATLAB or Excel) that assists in choosing the optimal p for each LC-CAD method, increasing the speed of method development and improving the accuracy of quantitative workflows.

01 Sep 2024·Archives of Biochemistry and Biophysics

Targeting COVID-19 and varicocele by blocking inflammasome: Ligand-based virtual screening

Article

Author: Al-Madhagi, Haitham ; Muhammed, Muhammed Tilahun

COVID-19 is a new generation of outbreaks that invade not only local emerging region, continental but also the whole globe. Varicocele on the other hand, is a testicular vascular disease that underlies 40 % of male infertility cases. Fortunately, the two diseases can be blocked through targeting one common target, NLRP3 inflammasome. Upon searching for similar drugs that gained FDA-approval in ChEMBL library along with examining their potential blockade of the receptor through docking using CB-DOCK-2, three potential approved drugs can be repurposed, ChEMBL 4297185, ChEMBL 1201749, ChEMBL 1200545 which had binding energy of -9.8 and -9.7 kcal/mol (stronger than the reference inhibitor, -9.3 kcal/mol). Also, ADME profile of the top 3 drugs showed better attributes. Also, the simulated proteins exhibited stable pattern with strong free binding energies. Among the potential inhibitor drugs ChEMBL 4297185 was found to remain inside the binding site of the protein during the 200 ns simulation time. Hence, it is anticipated to have the highest binding and thus inhibition potential against the protein. The suggested drugs, especially ChEMBL 4297185, are potentially repurposable toward treating COVID-19 and varicocele which deserve further experimental validation.

100 Deals associated with Amcinonide

External Link

KEGG	Wiki	ATC	Drug Bank
D01387	Amcinonide	D07AC11	DB00288

R&D Status

10 top approved records.

to view more data

Indication	Country/Location	Organization	Date
Alopecia Areata	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981
Dermatitis	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981
Eczema	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981
Erythrodermic psoriasis	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981
Impetigo	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981
Lichen Planus	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981
Psoriasis	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981
Systemic Lupus Erythematosus	Japan	Teikoku Seiyaku Co. Ltd.	07 Dec 1981

Clinical Result

Indication

Phase

Evaluation

View All Results

Translational Medicine

Boost your research with our translational medicine data.

view full example data

Deal

Boost your decision using our deal data.

view full example data

Core Patent

Boost your research with our Core Patent data.

view full example data

Clinical Trial

Identify the latest clinical trials across global registries.

view full example data

Approval

Accelerate your research with the latest regulatory approval information.

view full example data

Regulation

Understand key drug designations in just a few clicks with Synapse.

view full example data

Chat with Hiro

Get started for free today!

Accelerate Strategic R&D decision making with Synapse, PatSnap’s AI-powered Connected Innovation Intelligence Platform Built for Life Sciences Professionals.

Start your data trial now!

Synapse data is also accessible to external entities via APIs or data packages. Empower better decisions with the latest in pharmaceutical intelligence.

Bio

Bio Sequences Search & Analysis

Chemical

Chemical Structures Search & Analysis