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Comparative Validation of Vanadium(III) Chloride Reduction and Standard Methods for Nitrate Quantification in Organic-Rich Tropical Waters
Olga-Inés Vallejo-Vargas
,Edwin Alzate-Rodriguez
,Mariana Espinoza
,Natalia Londoño
,Leonardo Beltrán Beltrán-Angarita
Posted: 15 September 2026
Synthesis and Characterization of Two L-Aspartyl-L-Phenylalanine Methyl Ester Dipeptide Chiral Ionic Liquids and Evaluation of Enantiomeric Recognition Properties Using Fluorescence Spectroscopy
Irene W. Kimaru
,Alex Zoey Slater
,Olivia Culbertson
,Emma Garn
Posted: 14 September 2026
A Methodology for the Direct Quantitative Determination of Aluminum and Ascorbate-Reducible Ferrozine-Reactive Iron in Emulsions
Georgia Eleni Tsotsou
,Dimitra Dremetsika
,Georgia Bakara
,Mirofora Pilakouta
Posted: 04 September 2026
Subtype-Specific Aptamer Technologies for Breast Cancer: From Molecular Recognition to Precision Applications
Hui-Bin Wu
,Zhi Zeng
,Wen-Yi Huang
,Xin-Yan Lin
,Rui Tian
,Jian-Min Chen
,Qiu-Long Zhang
Posted: 04 September 2026
From Screening to Generative Design: Advances in ML-Assisted MOFs for Carbon Capture
Muhammad Bilal
,Faisal Latif
,Muhammad Hasnain
,Muhammad Ali
,Mahnoor Saeed
,Raziya Nadeem
The ongoing climate crisis, caused by the annual release of 37 billion metric tons of CO2 emissions, is putting pressure on the advancement of Carbon Capture and Storage (CCS) and Direct Air Capture (DAC) technologies. Metal–Organic Frameworks (MOFs), with their high surface areas and modular pore topologies, present a very attractive class of sorbents for CO2 capture; however, it currently remains computationally prohibitive to explore their extensive chemical design space. Herein, we provide a thorough evaluation of how machine learning (ML) (as an emerging technology) has played an increasing role in furthering our understanding of CO2 capture from MOFs. Through an organized investigation, we provide evaluations of the latest generation of models across four key areas: application at a process level, mechanistic interpretable modelling; physically relevant descriptors, and predictive performance metrics. Recent work with Machine Learning Interatomic Potentials (MLPs) shows that traditional assumptions about rigid frameworks are being challenged by the fact that diffusion properties and adsorption thermodynamics are heavily influenced by the flexibility of the framework. The use of physics-informed descriptor engineering yields R2 values of 0.81-0.97 across gas species and pressure regimes, while the generative nature of Deep Reinforcement Learning and transformer-based architectures has been shown to allow for the inverse design of frameworks with high affinities for gas species. The trend in this sector is moving towards optimization of multiple scales simultaneously and integrating processes to achieve an optimized property prediction. Current work with machine learning is focusing on using a combination of material properties and operational indicators (such as how much gas is recovered through pressure swing adsorption) to make predictions. As these techniques improve, there will be a similar need for a design that is both physically informed and understandable, thus allowing for a link between molecular discoveries and water-stable materials that have been experimentally verified and are suitable for use in commercial applications.
The ongoing climate crisis, caused by the annual release of 37 billion metric tons of CO2 emissions, is putting pressure on the advancement of Carbon Capture and Storage (CCS) and Direct Air Capture (DAC) technologies. Metal–Organic Frameworks (MOFs), with their high surface areas and modular pore topologies, present a very attractive class of sorbents for CO2 capture; however, it currently remains computationally prohibitive to explore their extensive chemical design space. Herein, we provide a thorough evaluation of how machine learning (ML) (as an emerging technology) has played an increasing role in furthering our understanding of CO2 capture from MOFs. Through an organized investigation, we provide evaluations of the latest generation of models across four key areas: application at a process level, mechanistic interpretable modelling; physically relevant descriptors, and predictive performance metrics. Recent work with Machine Learning Interatomic Potentials (MLPs) shows that traditional assumptions about rigid frameworks are being challenged by the fact that diffusion properties and adsorption thermodynamics are heavily influenced by the flexibility of the framework. The use of physics-informed descriptor engineering yields R2 values of 0.81-0.97 across gas species and pressure regimes, while the generative nature of Deep Reinforcement Learning and transformer-based architectures has been shown to allow for the inverse design of frameworks with high affinities for gas species. The trend in this sector is moving towards optimization of multiple scales simultaneously and integrating processes to achieve an optimized property prediction. Current work with machine learning is focusing on using a combination of material properties and operational indicators (such as how much gas is recovered through pressure swing adsorption) to make predictions. As these techniques improve, there will be a similar need for a design that is both physically informed and understandable, thus allowing for a link between molecular discoveries and water-stable materials that have been experimentally verified and are suitable for use in commercial applications.
Posted: 31 August 2026
Vanadium Pentoxide–Mediated Oxidation Coupled with HPLC-MS/MS for Broad-Spectrum Screening of Paralytic Shellfish Toxins in Plasma
Yangde Ma
,Huilan Yu
,Xiujie Liu
,Bo Chen
,Longhui Liang
,Shilei Liu
Posted: 25 August 2026
Portable Mass Spectrometry for In-Field Real/Time Water Pollution Monitoring: Validation and Pilot Study in Danube-Tisa-Danube Irrigation System
Djordje Vujić
,Milena Aleksić
,Daria Ilić
,Boris Brkić
Posted: 18 August 2026
Optimization and Validation of the QuEChERS-GC-MS Method for the Analysis of Dieldrin in Fillets of Nile Tilapia Oreochromis niloticus
Sérgio Williams Ferreira de Sousa
,Luis Felipe Lima Guimarães
,Tatiana Sainara Maia Fernandes
,Joaquim Rodrigues de Vasconcelos Neto
,Deboha Viegas A. de A. dos Santos
,Ronaldo Ferreira do Nascimento
,Daniel Barbosa Alcântara
Organochlorine pesticides (OCPs) residues act as critical drivers of environmental impacts and pose significant risks to human and animal health. This scenario is further exacerbated by their high environmental persistence, marked bioaccumulative potential, and chronic toxicity. The International Agency for Research on Cancer (IARC) classifies dieldrin as well as aldrin, when metabolized into this substance, as probably carcinogenic to humans (Group 2A). OCPs can accumulate in the fatty tissue of fish. Therefore, when consumed, fish can become a route of human exposure to OCPs, such as dieldrin. A novel method for determining dieldrin in Fillets of Nile tilapia (Oreochromis niloticus) using GC/MS and the original QuEChERS was developed and validated. The optimization of chromatographic parameters resulted in an appropriate retention time (Rt) for dieldrin. Matrix-matched calibration was established to correct the matrix effect (ME) in the quantitative analysis of the pesticide. Dieldrin showed matrix-induced signal suppression of -21.17%. The pesticide studied showed good linearity with a coefficient of determination (R²) of 0.9918. According to the analytical validation standards established by ANVISA, concentrations above the LOQ (50 μg L-1) can be used as a linear working range with high reliability.
Organochlorine pesticides (OCPs) residues act as critical drivers of environmental impacts and pose significant risks to human and animal health. This scenario is further exacerbated by their high environmental persistence, marked bioaccumulative potential, and chronic toxicity. The International Agency for Research on Cancer (IARC) classifies dieldrin as well as aldrin, when metabolized into this substance, as probably carcinogenic to humans (Group 2A). OCPs can accumulate in the fatty tissue of fish. Therefore, when consumed, fish can become a route of human exposure to OCPs, such as dieldrin. A novel method for determining dieldrin in Fillets of Nile tilapia (Oreochromis niloticus) using GC/MS and the original QuEChERS was developed and validated. The optimization of chromatographic parameters resulted in an appropriate retention time (Rt) for dieldrin. Matrix-matched calibration was established to correct the matrix effect (ME) in the quantitative analysis of the pesticide. Dieldrin showed matrix-induced signal suppression of -21.17%. The pesticide studied showed good linearity with a coefficient of determination (R²) of 0.9918. According to the analytical validation standards established by ANVISA, concentrations above the LOQ (50 μg L-1) can be used as a linear working range with high reliability.
Posted: 18 August 2026
A Highly Sensitive and Specific SERS-Based Lateral Flow Immunochromatographic Assay Using Encoded Silver-Coated Petal-Like Gap-Enhanced Raman Tags (P-GERT@Ag) for Simultaneous Detection of T-2 Toxin and Deoxynivalenol in Food Samples on a Single Test Line
Yuanzhe Zhu
,Yanmin Wu
,Jing Shi
,Lili Lun
,Kang Wu
,Yuxi Zhang
,Jianguo Li
,Anping Deng
Posted: 12 August 2026
Tailoring Na+ and Cl–-Selective Colorimetric Optode Arrays for Wearable Sweat Analysis: Composition Optimization and Measurement Conditions
Vasiliy S. Syutkin
,Ivan P. Gryazev
,Daria A. Chetverikova
,Andrey V. Kalinichev
,Maria A. Peshkova
Posted: 05 August 2026
Study on the Influence Mechanism of Furfural on Analysis of SARA Fractions
Song Hao
,Shen Zhi
,Shen Xizhou
,Ren Qiang
,Zhou Han
Posted: 03 August 2026
Comprehensive UHPLC–Orbitrap–MS Profiling of Phloroglucinol α-Pyrones in Helichrysum italicum (Roth) G. Don (Asteraceae)
Yulian Voynikov
,Teodor Marinov
,Paraskev Nedialkov
Posted: 27 July 2026
MXene-Supported Single-Atom Fe–Co Nanozyme Nanocomposites for Electrochemical Detection of Antibiotic Residues in Water
Martin Osemba
Posted: 23 July 2026
Development and Validation of an HPLC-DAD Method for the Simultaneous Analysis and Quantification of Triterpenenic Acids as New Chemical and Pharmacological Markers of Mexican Crataegus Medicinal Plants
Diana López-Fitz
,Eloy Rodríguez deLeón
,Moustapha Bah
Posted: 10 July 2026
Molecular Insights into Adsorption Mechanisms of Novel Adsorbents for Micro- and Nanoplastic Removal
Angelo Fenti
,Pasquale Iovino
Posted: 09 July 2026
Enhancing Fluorescence Detection Accuracy for Aromatic Pollutants in Aquatic Environments via Absorption Spectroscopy-Based Inner Filter Effect Compensation
Zhang Dawei
,Zhong Lijin
,Lin Shijie
,Bao Jie
Posted: 07 July 2026
Poly(Neutral Red)-Silver Nanorods-Carbon Nanotubes Composite-Based Ratiometric Electrochemical Sensor for Rapid Detection of Histamine in Crayfish
Shuo Duan
,Chunyan Liao
,Huang Dai
,Yunhan Liu
,Yongjiang Zhang
,Qiao Wang
,Zhanming Li
Posted: 07 July 2026
Development and Validation of an HPLC-UV Method for the Determination of Levofloxacin from a Prolonged–Release Mesh Implant in Rat Blood
Tahir Suleymanov
,Emilya Balayeva
,Kubra Aliyeva
,Behrouz Seyfinejad
,Abolghasem Jouyban
,Elnur Gasimov
,Aitaj Badalova
Posted: 02 July 2026
Modified Carbon-Based Electrodes: Properties, Fabrication, and Applications
Stella Girousi
,Zafeiria-Maria Anastasiadou
,Michaela Balampani
,Artemisa Frrokai
,Apostolia Kordolemi
Posted: 30 June 2026
Recent Advances in GC–MS for Traditional Chinese Medicinal Materials: Separation, Authentication, and Quality Control
Xiaotian Fan
,Yongxin Wang
,Jiaox Yu
,Ruxin Zhang
,Shujun Wang
,Yafeng Zuo
,Menghu Wang
,Yan Hu
,Jingcai Li
,Xiangsong Meng
Posted: 30 June 2026
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