Article
Food Science & Technology
Rafael C. Castro, David S. M. Ribeiro, Joao L. M. Santos, Ricardo N. M. J. Pascoa
Summary: The study demonstrated the successful use of NIR spectroscopy coupled with MCR-ALS for the simultaneous identification and quantification of four common adulterants in saffron samples. The results showed the feasibility and effectiveness of this approach in complex mixtures and at low levels. It was the first time that NIR spectroscopy and MCR-ALS were used together to identify and quantify multiple adulterants in saffron samples.
Article
Chemistry, Analytical
Marina De Gea Neves, Isao Noda, Heinz W. Siesler
Summary: Handheld near-infrared (NIR) spectroscopy was used to measure the cut face of a fresh baguette over time, and the critical factors in the staling process were identified as amylopectin crystallization and water content decrease. Two-Dimensional Correlation Spectroscopy (2D-COS) was applied to monitor the sequence of these changes, and the spectra were split into two sets based on different aging time intervals. Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) was used to investigate the changes in the spectra profile as a function of aging time.
MICROCHEMICAL JOURNAL
(2023)
Article
Automation & Control Systems
Ana Carolina de Oliveira Neves, Mohammed Zougagh, Angel Rios, Roma Tauler, Kazumasa Wakamatsu, Ismael Galvan
Summary: The study successfully quantified the constituent monomers of pheomelanin using Raman spectroscopy combined with chemometrics. The MCR-ALS method was effective in predicting the concentrations of BT and BZ, as well as extracting interference from keratin in feathers. This method provides a direct and non-destructive analytical approach for pheomelanin subunits at the monomeric level.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2021)
Article
Spectroscopy
Xijun Wu, Zhilei Zhao, Ruiling Tian, Yudong Niu, Shibo Gao, Hailong Liu
Summary: This study successfully utilized total synchronous fluorescence spectroscopy and deep neural networks to identify counterfeit and adulterated sesame oils, achieving 100% accuracy in recognition through data augmentation and the design of multiple deep network architectures.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Analytical
Rafael C. Castro, David S. M. Ribeiro, Joao L. M. Santos, Ricardo N. M. J. Pascoa
Summary: This study focused on the application of vibrational spectroscopic techniques for the analysis of adulterants in peanut oil. The qualitative analysis showed that MCR-ALS accurately identified all adulterants, while the quantitative analysis demonstrated the effectiveness of both MCR-ALS and PLS in quantifying the adulterants, confirming the feasibility of using these methods in peanut oil.
Article
Chemistry, Applied
Anne B. F. Camara, Keverson G. De Oliveira, Marfran C. D. Santos, Ramoni R. S. De Lima, Kassio M. G. De lima, Luciene S. De Carvalho
Summary: The feasibility of infrared spectroscopy combined with chemometrics for predicting the antioxidant activity of pomegranate and clove extracts was evaluated in this study. The results showed that this method achieved good accuracy and low residuals compared to the standard DPPH method. The MCR-ALS combined with NIR data was particularly effective, with high R2 values and low RMSEP. This technique also allowed for the recovery of pure spectral profiles and identification of interferents, making it a valuable tool for the food industry.
Article
Chemistry, Applied
Xijun Wu, Zhilei Zhao, Ruiling Tian, Shibo Gao, Yudong Niu, Hailong Liu
Summary: The study introduced a method combining TSyF spectra and CNN, which can effectively distinguish different vegetable oils, adulterated vegetable oils, and identify and quantify counterfeit vegetable oils.
Article
Spectroscopy
Hesham Salem, Amany Abdelaziz, Arwa Atef, Rania Abdelrady, Mohamed Ibrahim, Ahmed Elkady
Summary: This study successfully determined and validated the drugs POL and CIN used for the treatment of internal and external hemorrhoids using a new spectroscopic process, demonstrating the effectiveness and accuracy of the method.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Spectroscopy
Jin Tan, Ming-Fen Li, Rong Li, Zi-Tao Jiang, Shu-Hua Tang, Ying Wang
Summary: The study utilized synchronous front-face fluorescence spectroscopy for rapid and non-invasive detection of free capsanthin in chili powders, revealing two emission mechanisms as AIE and JAF. HPLC was used to determine the content of free capsanthin in 85 chili powder samples, and simple models were established for validation, demonstrating satisfactory analytical results.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemistry & Molecular Biology
Xinwei Gao, Yanfeng Liu, Jia Zhang, Luwei Wang, Yong Guo, Yinru Zhu, Zhigang Yang, Wei Yan, Junle Qu
Summary: This study utilized the FCS method to measure the diffusion coefficients and concentrations of CDs, DOX, and CDs-DOX composites in living cells for the first time, showing that the CDs-DOX composite significantly improved the transmembrane efficiency and rate of drug molecules. In addition, the effects of pH values and ATP concentrations on drug transport across the membrane were also studied.
Review
Chemistry, Analytical
Abolghasem Jouyban, Elaheh Rahimpour
Summary: This study reviews the development of optical nanosensors based on SFS for analysis applications, classifying them into two types based on their detection mechanism. Compared to traditional fluorescence techniques, SFS offers higher selectivity and resolution.
ANALYTICAL METHODS
(2021)
Article
Spectroscopy
Faysal Selimoglu, Nazangul Unal, Zehra Ceren Ertekin, Erdal Dinc
Summary: A new UV spectroscopic method using PARAFAC and MCR-ALS was developed in this study for the rapid determination of pKa values of benzoic acid and its derivatives without the need for traditional titration. These methods provide a simple and fast way to determine the pKa values of relevant compounds.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Multidisciplinary Sciences
Rana Ghonim, Mohamed El-Awady, Manar M. Tolba, Fawzia Ibrahim
Summary: Two green-sensitive spectrofluorometric methods were successfully developed for the assay of RUP [method I] and its binary mixture with MKT [method II]. Both methods showed good linearity and were effectively applied in laboratory-prepared mixtures and combined tablets. The methods were environmentally friendly, validated according to ICH guidelines, and showed good agreement with a comparison method.
ROYAL SOCIETY OPEN SCIENCE
(2021)
Article
Spectroscopy
M. Alaoui Mansouri, M. Kharbach, M. El Maouardi, I. Barra, A. Bouklouze
Summary: This study quantified ciprofloxacin in commercial tablets using FT-NIR and chemometric models. Matrix variation caused by different excipient compositions could affect accuracy. Single models combining data from multiple sets were developed to address matrix variation. PLS and MCR-ALS models showed promising results but were still influenced by the presence of different excipients.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Spectroscopy
Zhaoqing Liu, Xiaojian Huang, Zheng Jiang, Xun Tuo
Summary: Levamlodipine (LEE) is commonly used for antihypertensive treatment, and its interaction with human serum albumin (HSA) was studied using multivariate curve resolution-alternating least squares (MCR-ALS) approach and computer modeling. The complex formation, binding properties, and conformational changes were investigated, providing insights into the transportation and distribution mechanisms of LEE in the human body.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Applied
Carla M. Teglia, Lucia Gonzalo, Maria J. Culzoni, Hector C. Goicoechea
Article
Chemistry, Analytical
Carla M. Teglia, Clarisa G. Santamaria, Horacio A. Rodriguez, Marfa J. Culzoni, Hector C. Goicoechea
MICROCHEMICAL JOURNAL
(2019)
Article
Chemistry, Analytical
Mirta R. Alcaraz, Maria J. Culzoni, Gabriela A. Ibanez, Valeria A. Lozano, Alejandro C. Olivieri
ANALYTICA CHIMICA ACTA
(2020)
Article
Biochemical Research Methods
Carla M. Teglia, Maria Guniez, Hector C. Goicoechea, Maria J. Culzoni, Soledad Cerutti
JOURNAL OF CHROMATOGRAPHY A
(2020)
Review
Chemistry, Analytical
Maira Carabajal, Carla M. Teglia, Soledad Cerutti, Maria J. Culzoni, Hector C. Goicoechea
MICROCHEMICAL JOURNAL
(2020)
Article
Toxicology
Clarisa Guillermina Santamaria, Nicole Meyer, Anne Schumacher, Maria Laura Zenclussen, Carla Mariela Teglia, Maria Julia Culzoni, Ana Claudia Zenclussen, Horacio Adolfo Rodriguez
ARCHIVES OF TOXICOLOGY
(2020)
Article
Environmental Sciences
Lesly Paradina Fernandez, Romina Brasca, Andres M. Attademo, Paola M. Peltzer, Rafael C. Lajmanovich, Maria J. Culzoni
Article
Chemistry, Analytical
Lesly Paradina Fernandez, Romina Brasca, Hector Goicoechea, Maria J. Culzoni
MICROCHEMICAL JOURNAL
(2020)
Article
Chemistry, Medicinal
Ana G. Enderle, Matteo Bosso, Rudiger Gross, Magdalena Heiland, Mariela Bollini, Maria J. Culzoni, Frank Kirchhoff, Jan Muench, Carsten Streb
Summary: The combination of Polyoxometalates (POMs) anions with organic counter-cations has been shown to increase anti-HIV-1 activity. The novel compound exhibited sub-nanomolar antiviral activity by inhibiting HIV-1 infectivity at an early step of the viral infection cycle. This study suggests that the combination of POM anions and organic bioactive cations can be a powerful new strategy to enhance the antiviral activity of these inorganic compounds.
Article
Chemistry, Applied
Carla M. Teglia, Maria Guinez, Maria J. Culzoni, Soledad Cerutti
Summary: The study found that long-term administration of enrofloxacin to laying hens resulted in high concentrations of enrofloxacin in egg white, and consumer exposure assessment showed potential toxicological levels.
Article
Materials Science, Multidisciplinary
Ana G. Enderle, Isabel Franco-Castillo, Elena Atrian-Blasco, Rafael Martin-Rapun, Leonardo Lizarraga, Maria J. Culzoni, Mariela Bollini, Jesus M. de la Fuente, Filomena Silva, Carsten Streb, Scott G. Mitchell
Summary: This study reports the preparation of a hybrid antimicrobial material based on the combination of microbiocidal polyoxometalate-ionic liquids (POM-ILs) and a biocompatible polymeric support, which enables the development of surface coatings that prevent microbial adhesion.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Environmental Sciences
Lesly Paradina Fernandez, Romina Brasca, Maria Rosa Repetti, Andres M. Attademo, Paola M. Peltzer, Rafael C. Lajmanovich, Maria J. Culzoni
Summary: This study evaluates the bioaccumulation of antiretroviral drugs abacavir and efavirenz in amphibian tadpoles and finds that efavirenz has the highest bioaccumulation levels. This indicates an ecological risk for aquatic organisms, including R. arenarum, exposed to these drugs in the environment.
Article
Chemistry, Analytical
Milagros Montemurro, Damian A. Urarite, Hector G. Giocoechea, Sedbastian E. Collins, Maria J. Culzoni
Summary: In this study, a methotrexate (MTX) optical nanosensor based on silver nanoclusters (AgNCs) was developed, which involves the generation of a double pH gradient and utilizes the pH-dependent behavior of AgNCs. The presence of AgNCs enhances the signal of MTX, enabling a simple and sensitive method for its quantitation. The developed sensing platform achieved limits of detection and quantitation of 3.3 nmol L-1 and 10.1 nmol L-1, respectively, and showed potential for the detection and quantitation of MTX at clinically relevant concentrations.
SENSORS AND ACTUATORS B-CHEMICAL
(2023)
Article
Chemistry, Analytical
Matias L. Senovieski, Sofia A. Gegenschatz, Fabricio A. Chiappini, Carla M. Teglia, Maria J. Culzoni, Hector C. Goicoechea
MICROCHEMICAL JOURNAL
(2020)
Article
Chemistry, Analytical
Milagros Montemurro, Andreas Schwaighofer, Anatol Schmidt, Maria J. Culzoni, Helmut K. Mayer, Bernhard Lendl