Article
Chemistry, Multidisciplinary
Maria Lasalvia, Vito Capozzi, Giuseppe Perna
Summary: Vibrational spectroscopy combined with multivariate analysis techniques has considerable potential for establishing reliable diagnostic models.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Analytical
Milleno D. Mota, Marilena Meira, Juceni P. David, Erika M. de Oliveira Ribeiro, Hugo N. Brandao, Ademir E. do Vale, Jorge M. David
Summary: This study developed a fast, simple, sensitive, and low-cost method for identifying resveratrol in different red wines, predicting its content through principal component analysis and multivariate calibration. The multivariate method demonstrated a good predictive capacity for determining resveratrol concentrations in commercial red wines.
CURRENT ANALYTICAL CHEMISTRY
(2021)
Article
Spectroscopy
Hao Yuan, Cailing Liu, Hongying Wang, Liangju Wang, Lei Dai
Summary: This study demonstrates that Vis-NIR spectroscopy can be used to distinguish the gestational sac from other abdominal tissues in rabbits. The raw spectra of tissues were analyzed using PCA and pre-processed using various techniques. The results show that the combination of Vis-NIR spectroscopy and PLS-DA can effectively discriminate the gestational sac from other abdominal tissues.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Analytical
Juliana Melo Duarte, Nadia Gabrielle Silva Sales, Jez Willian Batista Braga, Candice Bridge, Mark Maric, Marcelo Henrique Sousa, Juliano de Andrade Gomes
Summary: The aim of this study was to develop a methodology to distinguish automotive paint samples based on the make of the vehicle and its color shade. In-situ analysis of 143 white samples was conducted using Fourier transform infrared spectroscopy and coupled microscopy. Principal component analysis and partial least squares discriminant analysis were used for data analysis, resulting in high classification accuracy.
Article
Automation & Control Systems
Yangming Huang, Yue Huang, Xiangzhong Song, Jingxian Gao, Yanmei Xiong, Shungeng Min
Summary: The study introduces a novel PLS-DA strategy, showing its superior performance in multi-class problems, especially in NIR and Raman spectral datasets. The method achieves high prediction accuracy through selecting representative samples and building qualitative models.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2021)
Article
Spectroscopy
Amanda Lemes Silveira, Paulo Jorge Sanches Barbeira
Summary: In this study, a rapid and low-cost method using synchronous fluorescence spectroscopy and partial least squares discriminant analysis was developed to differentiate between cachaca and rum. By recording fluorescence spectra at different wavelengths, the two types of alcohol could be distinguished with a classification efficiency of 98%. The findings suggest that synchronous fluorescence spectroscopy holds promise for the authentication of cachacas and rums.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Materials Science, Multidisciplinary
Seyed Saeid Tayebi, Elizabeth Keane, Nahieli Preciado Rivera, Todd Hoare, Prashant Mhaskar
Summary: This study successfully predicted the swelling profile and VPTT of microgels using a data-driven model, paving the way for faster customization of microgel swelling profiles as needed for specific applications.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Automation & Control Systems
Muhammad Naeim Mohamad Asri, Rajesh Verma, Naji Arafat Mahat, Nor Azman Mohd Nor, Wan Nur Syuhaila Mat Desa, Dzulkiflee Ismail
Summary: In this study, the non-destructive technique Raman spectroscopy combined with chemometrics was used to analyze black gel ink samples. The application of Partial Least Square-Discriminant Analysis (PLS-DA) showed accurate classification and prediction of the ink samples. Furthermore, the use of UMAP exploration proved effective in reducing misclassification caused by large datasets.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2022)
Article
Chemistry, Applied
Rafaela F. Gatti, Felipe B. de Santana, Ronei J. Poppi, Daniela S. Ferreira
Summary: This study utilized a portable NIR spectrometer combined with chemometric tools to differentiate milk chocolate, white chocolate, 40% cocoa chocolate, and 70% cocoa chocolate samples under temperature abuse conditions. PCA separated the samples into different temperature groups for each chocolate type, while PLS-DA models showed high sensitivity, specificity, and accuracy values and identified the wavelengths most impacting the model construction.
Article
Chemistry, Analytical
Rocio Rios-Reina, Daniel Caballero, Silvana M. Azcarate, Diego L. Garcia-Gonzalez, Raquel M. Callejon, Jose M. Amigo
Summary: UV-vis spectroscopy has been successful in characterizing and classifying wine vinegar quality, leading to the development of the VinegarScan software for quick quality control and authentication based on UV-vis spectra. The software, built on an open-source GUI and utilizing data mining algorithms, has achieved satisfactory prediction results with existing UV-vis data. Future plans include integrating the software with a portable UV-vis device to help control bodies in the vinegar industry differentiate from competitors and prevent fraud.
Article
Medicine, Legal
Rohini Chauhan, Raj Kumar, Vijay Kumar, Kashma Sharma, Vishal Sharma
Summary: The derivative diffuse reflectance UV-vis-NIR spectroscopy combined with multivariate methods were used to discriminate and classify soil samples from north-western India. Different organic and inorganic minerals were identified in varying amounts, with peak comparison and chemometric methods such as PCA being effective in differentiating samples. The PCA model was validated by analyzing unknown samples and achieved 95% accurate clustering of soil samples.
FORENSIC SCIENCE INTERNATIONAL
(2021)
Article
Chemistry, Analytical
Ismail Tarhan
Summary: A new method for quantifying squalene in amaranth seed oil was proposed using spectroscopic techniques and partial least square calibration models. The best calibration model was obtained from FTIR spectroscopy with normal spectra, showing low RMSEC and high R-square values. The study demonstrated that FTIR spectroscopy coupled with PLS regression is an effective and environmentally friendly way to quantify squalene in ASO samples.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Analytical
Olga Monago-Marana, Manuel Cabrera-Banegil, Nieves Lavado Rodas, Arsenio Munoz de la Pena, Isabel Duran-Meras
Summary: The study successfully discriminated between different harvesting dates of the Japanese Angeleno variety of plums using fluorescence spectroscopy in combination with chemometric analysis. Principal Component Analysis (PCA) and Partial Least-Squares Discriminant-Analysis (PLS-DA) were used to accurately classify plums, showing significant spectral differences between May and September.
MICROCHEMICAL JOURNAL
(2021)
Article
Biotechnology & Applied Microbiology
Eskandar Poorasgari, Banu Ormeci
Summary: This study investigated the absorption of UV-Vis light by liquid wastewater sludge during biological digestion. The results showed that the integrated area under the UV spectrum can be used to monitor the progress of digestion and optimize the process under different temperature conditions.
BIOCHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Applied
Yongli Bai, Xinguo Huang, Nan Peng, Shanshan Zhang, Yunfei Zhong
Summary: Water-based inks are commonly used in eco-friendly packaging and printing. This study examined the printability parameters of water-based inks, such as viscosity and color, using vis-NIR spectroscopy and chemometrics. The results demonstrate that the PCA-BPNN model combined with SG smoothing can accurately predict the viscosity and toning additive concentration of water-based inks, outperforming other regression models. This approach provides a reliable technique for predicting and monitoring the printability of water-based inks.
JOURNAL OF NEAR INFRARED SPECTROSCOPY
(2023)
Review
Food Science & Technology
R. Pandiselvam, N. U. Sruthi, Ankit Kumar, Anjineyulu Kothakota, Rohit Thirumdas, S. V. Ramesh, Daniel Cozzolino
Summary: Classical methods for assessing the quality of food grains are either destructive or time-consuming, calling for an alternative approach. Spectroscopic techniques, such as FT-IR, NIR, and Raman spectroscopy, have been extensively studied for efficient determination of grain quality. This review focuses on the working principles and recent applications of these techniques in the grain industry, including quality discrimination, adulterant detection, process optimization, and production monitoring, while also highlighting challenges, limitations, advantages, and future trends.
FOOD REVIEWS INTERNATIONAL
(2023)
Article
Food Science & Technology
Eshetu M. Bobasa, Sukirtha Srivarathan, Anh Dao Thi Phan, Michael E. Netzel, Daniel Cozzolino, Yasmina Sultanbawa
Summary: The study evaluated the influence of blanching on the content of vitamin C and ellagic acid (EA) in Kakadu plum fruits during storage. The results showed that vitamin C decreased over the storage period, while EA content remained stable. The KP fruits also demonstrated excellent antioxidative properties and protected against fatty acid oxidation.
JOURNAL OF FOOD MEASUREMENT AND CHARACTERIZATION
(2023)
Article
Chemistry, Physical
Zachary J. Farrell, Alan R. Jacob, Vi Khanh Truong, Aaron Elbourne, Wilson Kong, Lilian Hsiao, Michael D. Dickey, Christopher Tabor
Summary: Room-temperature liquid metal alloys are versatile materials with unique properties in chemistry, electronics, biology, and mechanics. The surface oxide of liquid metals plays a crucial role in determining these properties, and it can be modified by adding minority elements. By adding small amounts of thermodynamically favorable alloying elements (X = Zn, Mg, Al) to eutectic gallium indium (EGaIn), we have created a new class of alloys with designed surface oxide compositions called XGaIn. Analysis using STEM-EDS and XPS confirms that XGaIn alloys form oxide layers enriched in the lowest-redox element, consistent with the alloy system's thermodynamics. XGaIn alloys with added Zn and Mg exhibit strong antimicrobial activity, which has exciting implications for flexible electronic medical devices and sensors.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
P. Rajapaksha, R. Orrell-Trigg, D. Shah, S. Cheeseman, K. B. Vu, S. T. Ngo, B. J. Murdoch, N. R. Choudhury, H. Yin, D. Cozzolino, Y. B. Truong, A. F. Lee, V. K. Truong, J. Chapman
Summary: Antimicrobial resistance is a global health challenge, which requires innovative nanomaterials and antimicrobial strategies. In this study, a broad-spectrum antimicrobial nanomaterial combining light-responsive ZnO nanoparticles and reduced graphene oxide was developed for water depollution. The nanocomposite demonstrated strong antimicrobial efficacy against methicillin-resistant Staphylococcus aureus, Escherichia coli, and Salmonella typhimurium bacteria, and also showed potential for photocatalytic degradation of dye.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Xuan Luo, Wenjin Xing, Iliana Delcheva, Fayed Abdullah Alrashaidi, Amir Heydari, Dennis Palms, Vi Khanh Truong, Krasimir Vasilev, Zhongfan Jia, Wei Zhang, Peng Su, Kasturi Vimalanathan, Aghil Igder, Gregory A. Weiss, Youhong Tang, Melanie MacGregor, Colin L. Raston
Summary: A shear-stress-mediated platform called portable vortex-fluidic device (P-VFD) has been developed to overcome the diffusion-limit and achieve fast reaction rates. The platform consists of a plasma oxazoline-coated polyvinyl chloride (POx-PVC) film with tough hydrogel covalently bound to its surface and a reactor tube for reactions. The hydrogel arrays on the film provide a strong matrix for entrapping biomolecules and tolerate shear stress, resulting in a >6-fold increase in reaction rate.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Review
Chemistry, Analytical
B. Dayananda, S. Owen, A. Kolobaric, J. Chapman, D. Cozzolino
Summary: The availability of advanced instrumentation has greatly advanced the field of analytical chemistry, enabling the development of new applications. However, direct interpretation of recorded data is often not straightforward, necessitating pre-processing techniques. This paper provides an overview of the most commonly used pre-processing methods in instrumental analytical methods, such as spectroscopy and chromatography. It also highlights the importance of pre-processing techniques in data analysis, interpretation, and the development of accurate chemometric models.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2023)
Review
Food Science & Technology
Ali Ali Redha, Luciana Torquati, Faye Langston, Geoffrey R. Nash, Michael J. Gidley, Daniel Cozzolino
Summary: Cruciferous vegetables and oilseeds are rich in glucosinolates that can transform into isothiocyanates upon enzymic hydrolysis. Monitoring and assessing glucosinolates and isothiocyanates content in the food value chain is important. Infrared spectroscopy has been used as a nondestructive and low-cost method to determine glucosinolates and isothiocyanates in vegetables and oilseeds, but further evaluation and interpretation of the results are needed.
CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
(2023)
Article
Chemistry, Medicinal
Trung T. T. Nguyen, Thanh Hoang, Tuyet Pham, Vi Khanh Truong, Xuan Luo, Jian Qin, Wei Zhang
Summary: Shell wastes impose burdens on the shellfish industry, but they can be used for commercial chitin production to minimize negative impacts and maximize economic value.
Article
Chemistry, Multidisciplinary
Chung Kim Nguyen, Aishani Mazumder, Edwin L. H. Mayes, Vaishnavi Krishnamurthi, Ali Zavabeti, Billy J. Murdoch, Xiangyang Guo, Patjaree Aukarasereenont, Aditya Dubey, Azmira Jannat, Xiaotian Wei, Vi Khanh Truong, Lei Bao, Ann Roberts, Chris F. McConville, Sumeet Walia, Nitu Syed, Torben Daeneke
Summary: In this report, a simple and cost-effective method is proposed to fabricate 2-nm-thick indium oxide nanosheets from liquid metal surfaces. The resulting materials exhibit high transparency and excellent electron mobility, surpassing other reported 2D semiconductors. The UV-detectors based on the fabricated indium oxide nanosheets also show improved performance compared to the original ones. The improvement is attributed to the nanostructural changes within the oxide layers during the annealing process, as demonstrated by transmission electron microscopy.
ADVANCED MATERIALS INTERFACES
(2023)
Review
Chemistry, Multidisciplinary
Vi Khanh Truong, Andrew Hayles, Richard Bright, Trong Quan Luu, Michael D. Dickey, Kourosh Kalantar-Zadeh, Krasimir Vasilev
Summary: The proliferation of drug resistance in microbial pathogens poses a significant threat to human health. Liquid metal nanoparticles, particularly gallium-based ones, show promise in combating this problem due to their distinctive properties, high antimicrobial efficacy, and low toxicity. The unique bactericidal mechanism of gallium liquid metal can bypass emerging drug resistance mechanisms, making it a valuable strategic pathway in the battle against antimicrobial resistance.
Article
Chemistry, Multidisciplinary
Tien Thanh Nguyen, Pengfei Zhang, Jingwei Bi, Ngoc Huu Nguyen, Yen Dang, Zhaoning Xu, Hao Wang, Neethu Ninan, Richard Bright, Tuyet Pham, Chung Kim Nguyen, Ylias Sabri, Manh Tuong Nguyen, Jitraporn Vongsvivut, Yunpeng Zhao, Krasimir Vasilev, Vi Khanh Truong
Summary: This study introduces a simple method to synthesize novel Silvergallium (AgGa) nano-amalgamated particles using gallium liquid metal (GaLM). The GaLM acts as a stable carrier for silver nanocrystals and a slow-release mechanism for silver ions, improving biocompatibility, reducing inflammation, and aiding bone regeneration. The AgGa suspensions effectively eliminate pathogenic bacteria and show promising capabilities against antibiotic-resistant strains.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Food Science & Technology
Ali Ali Redha, Hung T. Hong, Luciana Torquati, Geoffrey R. Nash, Michael J. Gidley, Daniel Cozzolino
Summary: A liquid chromatography-mass spectrometry method was developed to accurately identify and quantify broccoli sulforaphane. The method demonstrated highly reproducible retention time and a sharp sulforaphane peak, indicating high sensitivity and selectivity.
FOOD ANALYTICAL METHODS
(2023)
Article
Food Science & Technology
Ali Ali Redha, Faye Langston, Geoffrey R. Nash, John R. Bows, Luciana Torquati, Michael J. Gidley, Daniel Cozzolino
Summary: This study evaluates the application of mid-infrared spectroscopy for the determination of glucosinolates (GSLs) in commercial broccoli. The results showed that MIR spectroscopy can be used to determine some specific GSLs in broccoli. The models developed demonstrated that the variations in broccoli composition can influence the cross-validation models for GSLs.
INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Tuyet Pham, Tien Thanh Nguyen, Ngoc Huu Nguyen, Andrew Hayles, Wenshao Li, Duy Quang Pham, Chung Kim Nguyen, Trung Nguyen, Jitraporn Vongsvivut, Neethu Ninan, Ylias Sabri, Wei Zhang, Krasimir Vasilev, Vi Khanh Truong
Summary: This study presents a novel sustainable technology, using argon atmospheric plasma jet, to transform microalgae into bioactive coatings with excellent antibacterial activity and biological compatibility. This technology has the potential to combat wound infections and advance wound care research.
Article
Biotechnology & Applied Microbiology
Andrew Hayles, Richard Bright, Ngoc Huu Nguyen, Vi Khanh Truong, Jonathan Wood, Dennis Palms, Jitraporn Vongsvivut, Dan Barker, Krasimir Vasilev
Summary: This study demonstrates the enhanced susceptibility of pathogenic bacteria to antibiotics by modifying the surface of implantable biomaterials with sharp nanospikes. The presence of nanospikes rejuvenates the activity of antibiotics, resulting in increased bacterial cell death. Differential gene expression and biochemical analysis provide evidence of the mechanism behind the modification of cell surface charge.
NPJ BIOFILMS AND MICROBIOMES
(2023)
