Article
Spectroscopy
Xiao-Wen Zhang, Zheng-Guang Chen, Feng Jiao
Summary: Laplacian Eigenmaps is a nonlinear dimensionality reduction algorithm based on graph theory. In this paper, an adaptive LE improved algorithm is proposed to optimize the weight calculation by considering adjacent sample points and multi-scale data, achieving better dimensionality reduction effect.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Emergency Medicine
Meifang Yin, Yongming Li, Yongquan Luo, Mingzhou Yuan, Ubaldo Armato, Ilaria Dal Pra, Lijun Zhang, Dayong Zhang, Yating Wei, Guang Yang, Lixian Huang, Pin Wang, Jun Wu
Summary: The study utilized near infrared spectroscopy technology to evaluate burn depth in porcine models, developed a burn depth model based on optical parameters, and achieved real-time and objective assessment of burn depth information.
Article
Chemistry, Analytical
Diletta Biagi, Paolo Nencioni, Maurizio Valleri, Niccolo Calamassi, Paola Mura
Summary: The study aimed to develop an NIR analytical method for bilastine assay in powder mixtures for direct compression, to achieve real-time monitoring and ensure blend uniformity. By combining NIRS technology with chemometrics, a Partial Least Square (PLS) model with good predictive ability was successfully established.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2021)
Article
Spectroscopy
Pauline Ong, Suming Chen, Chao-Yin Tsai, Yung-Kun Chuang
Summary: In this study, near-infrared spectroscopy was used for non-destructive determination of theanine in oolong tea. The flower pollination algorithm (FPA) was utilized for selecting discriminative wavelengths for partial least squares regression (PLSR), resulting in improved predictive performance and reduced model complexity. The optimized model using FPA outperformed other wavelength selection methods and showed potential for enhancing predictability of PLSR.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Nutrition & Dietetics
Shaoli Liu, Ting Lei, Guipu Li, Shuming Liu, Xiaojun Chu, Donghai Hao, Gongnian Xiao, Ayaz Ali Khan, Taqweem Ul Haq, Manal Y. Sameeh, Tariq Aziz, Manal Tashkandi, Guanghua He
Summary: In this study, four methods were employed to preprocess the original spectra of infant formula milk powder, and two algorithms were used to extract characteristic wavelengths. PLSR and SVR models were established to predict the contents of micronutrient components. The results showed that the preprocessing methods and algorithms were effective in extracting feature wavelengths and achieving accurate predictions. This study is important for online detection and optimization control of nutritional components in infant formula production.
FRONTIERS IN NUTRITION
(2023)
Article
Chemistry, Applied
Kiran Raj Bukkarapu, Anand Krishnasamy
Summary: This study developed SVR models based on FTIR spectra of biodiesel and biodiesel-diesel blends to predict important engine fuel properties. The models showed good performance in predicting the blend proportion, viscosity, cetane number, and calorific value. Compared with other regression models, SVR was found to be the most suitable approach.
FUEL PROCESSING TECHNOLOGY
(2022)
Article
Pharmacology & Pharmacy
Dilip Sing, Subhadip Banerjee, Shibu Narayan Jana, Ranajoy Mallik, Sudarshana Ghosh Dastidar, Kalyan Majumdar, Amitabha Bandyopadhyay, Rajib Bandyopadhyay, Pulok K. Mukherjee
Summary: Andrographis paniculata has been widely used in several countries for medicinal purposes. Near infrared reflectance spectroscopy can be a quick way to assess and grade the quality of the plant material, while a support vector machine model can effectively classify plant samples into three different grades.
FRONTIERS IN PHARMACOLOGY
(2021)
Article
Physics, Applied
Zhuyu Wang, Linhua Zhou, Tianqing Liu, Kewei Huan, Xiaoning Jia
Summary: This study proposes a new machine-learning method based on near-infrared spectroscopy, a deep belief network (DBN), and a support vector machine to improve the prediction accuracy of blood glucose concentrations. The results demonstrate that this method plays an important role in dynamic non-invasive blood glucose concentration prediction and effectively improves the accuracy of the model.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Instruments & Instrumentation
Pauline Ong, Suming Chen, Chao-Yin Tsai, Yung-Kun Chuang
Summary: The study introduced a method for optimally selecting band-pass filters to reduce spectral data dimensionality, applied in determining theanine content in oolong tea. Results indicated the method's potential for accurate prediction of analytes with cost savings in spectral acquisition.
INFRARED PHYSICS & TECHNOLOGY
(2021)
Article
Chemistry, Applied
Simon Duthen, Cecile Levasseur-Garcia, Didier Kleiber, Frederic Violleau, Carlos Vaca-Garcia, Satoru Tsuchikawa, Christine Delgado Raynaud, Jean Dayde
Summary: Gelatin, a natural biopolymer obtained from fibrous collagen, is widely used in various industries. Near-infrared (NIR) spectroscopy can accurately and rapidly analyze the moisture content, gel strength, and viscosity of gelatin, providing a competitive advantage. The technique achieved good predictive accuracy for these parameters, with potential applications in industrial conditions.
FOOD HYDROCOLLOIDS
(2021)
Article
Biotechnology & Applied Microbiology
Daniel A. Zavala-Ortiz, Aurelia Denner, Maria G. Aguilar-Uscanga, Annie Marc, Bruno Ebel, Emmanuel Guedon
Summary: Research indicates that spectroscopic models based on ANNR and SVR show superior performance in cell culture monitoring, with better management of inter-batch heterogeneity and enhanced specificity. PLSR performs less effectively, while SVR and ANNR models show better results for all monitored parameters such as glucose.
BIOTECHNOLOGY AND BIOENGINEERING
(2022)
Article
Spectroscopy
Xiao-Wen Zhang, Zheng-Guang Chen, Feng Jiao
Summary: The dimensionality of near-infrared (NIR) spectral data is often large, and dimensionality reduction is crucial for increasing the model's performance. Laplacian Eigenmaps (LE) can preserve local neighborhood information but is disturbed by irrelevant information and multicollinearity. Random Frog (RF) algorithm can eliminate noise and collinearity. Hence, before using LE, RF is used to eliminate irrelevant information and reduce correlation, resulting in improved regression models' prediction accuracy and stability.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Computer Science, Information Systems
Zichen Zhang, Shifei Ding, Yuting Sun
Summary: This paper introduces a new method called multiple birth support vector regression (MBSVR), which constructs the regressor from multiple hyperplanes obtained by solving small quadratic programming problems, aiming for faster computation and better fitting precision.
INFORMATION SCIENCES
(2021)
Article
Engineering, Multidisciplinary
Shiyu Liu, Shutao Wang, Chunhai Hu, Xiaoyang Qin, Junzhu Wang, Deming Kong
Summary: The paper successfully detects the multiple properties of diesel using NIRS data combined with improved ISPXY and IGWO-SVR methods, with better performance than other machine learning models, providing a green and effective solution.
Article
Spectroscopy
Hongwei Ning, Jiawei Wang, Hui Jiang, Quansheng Chen
Summary: This study proposes a near-infrared spectroscopy detection method for rapid detection of Zearalenone (ZEN) in wheat grains. Using wavelength variable selection algorithms and support vector machine models, the research achieved high-precision quantitative detection of ZEN in grains.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Biochemical Research Methods
Javier E. L. Villa, Nataly Ruiz Quinones, Fabiana Fantinatti-Garboggini, Ronei J. Poppi
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2019)
Article
Biochemical Research Methods
Tassia B. B. C. Costa, Acioly L. T. Lacerda, Caroline Dal Mas, Elisa Brietzke, Joao G. M. Pontes, Lucas A. N. Marins, Lucas G. Martins, Marcel V. Nunes, Mariana Pedrini, Michelle S. C. Carvalho, Milan P. Mitrovitch, Mirian A. F. Hayashi, Natalia L. Saldanha, Ronei J. Poppi, Ljubica Tasic
JOURNAL OF PROTEOME RESEARCH
(2019)
Article
Chemistry, Analytical
Carlos A. Teixeira, Ronei J. Poppi
MICROCHEMICAL JOURNAL
(2019)
Article
Chemistry, Analytical
Felipe B. de Santana, Larissa O. de Giuseppe, Andre M. de Souza, Ronei J. Poppi
MICROCHEMICAL JOURNAL
(2019)
Article
Environmental Sciences
Felipe B. de Santana, Andre M. de Souza, Ronei J. Poppi
SCIENCE OF THE TOTAL ENVIRONMENT
(2019)
Article
Food Science & Technology
Debora A. P. Forchetti, Ronei J. Poppi
FOOD ANALYTICAL METHODS
(2020)
Article
Biochemistry & Molecular Biology
Marina D. G. Neves, Ronei J. Poppi, Heinz W. Siesler
Article
Biochemical Research Methods
Victor H. C. Ferreira, Leandro W. Hantao, Ronei J. Poppi
Article
Spectroscopy
Carlos A. Teixeira, Ronei J. Poppi
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2020)
Article
Chemistry, Applied
Robson B. Godinho, Mauricio C. Santos, Christian Quellet, Ronei J. Poppi
FLAVOUR AND FRAGRANCE JOURNAL
(2020)
Article
Chemistry, Analytical
Monica Benicia Mamian-Lopez, Ronei J. Poppi
Summary: The study monitored the photolytic degradation of moxifloxacin antibiotic in alkaline medium using Surface enhanced Raman spectroscopy (SERS) and found that the photolysis follows apparent first-order kinetics. The research suggests that the cleavage of the diazabicyclonyl substituent is the preferred photodegradation pathway for moxifloxacin, in agreement with previous reports.
BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Felipe Bachion de Santana, Andre Marcelo de Souza, Fabiano de Carvalho Balieiro, Mirelly Mioranza, Renato Aragao Ribeiro Rodrigues, Ronei Jesus Poppi
Summary: This study proposed an analytical methodology based on near infrared spectroscopy and partial least squares regression for the measurement of stabilized and total soil organic carbon in agricultural production systems. Two strategies were identified that could determine the total and stabilized SOC from the total soil fraction simultaneously, eliminating the need for the fractionation phase.
BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Luciana Fontes de Oliveira, Soraia Cristina Gonzaga Neves Braga, Fabio Augusto, Ronei Jesus Poppi
Summary: This study identified key components relevant to sensory perception of quality from commercial chocolate samples using GCxGC-MS profiles and ODP procedures, and classified the samples into low and high chocolate flavor categories. Furthermore, 2D Fisher Ratio analysis was applied to identify crucial areas on chromatograms resulting in class separation on PCA scores plot, with most of the sensory attributes related to only 14 compounds among the complex blend of volatiles found in the samples.
BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Julio Cesar Laurentino Alves
Summary: This review discusses the application of vibrational spectroscopy-based analytical methods in quantifying hydrotreated vegetable oil in petroleum-derived fuels, which are simpler, faster, and more cost-effective than radiocarbon-based reference methods. These methods provide good accuracy and quantification values below 0.8% in fuel mixtures for HVO or HEFA.
ANALYTICAL LETTERS
(2022)
Article
Chemistry, Analytical
Hery Mitsutake, Gustavo Henrique Rodrigues da Silva, Ligia Nunes de Morals Ribeiro, Eneida de Paula, Ronei J. Poppi, Douglas N. Rutledge, Arcia C. Breitkreitz
Summary: This study investigated the miscibility and structural changes of beeswaxes in pre-formulations with copaiba oil at different concentrations. The results showed that synthetic beeswax displayed varying structural forms and changes over time, depending on the amount of liquid lipid incorporated. Spectroscopic imaging techniques were found to be valuable in pharmaceutical development for achieving stable nanostructured lipid carriers formulations.
BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY
(2021)
Article
Energy & Fuels
Yingna Du, Chen Huang, Wei Jiang, Qiangwei Yan, Yongfei Li, Gang Chen
Summary: In this study, anionic surfactants modified hydrotalcite was used as a flow improver for crude oil under low-temperature conditions. The modified hydrotalcite showed a significant viscosity reduction effect on crude oil. The mechanism of the modified hydrotalcite on viscosity and pour point of crude oil was explored through characterization and analysis of the modified hydrotalcite and oil samples.
Article
Energy & Fuels
Mohammad Saeid Rostami, Mohammad Mehdi Khodaei
Summary: In this study, a hybrid structure, MIL-53(Al)@MWCNT, was synthesized by combining MIL-53(Al) particles and -COOH functionalized multi-walled carbon nanotube (MWCNT). The hybrid structure was then embedded in a polyethersulfone (PES) polymer matrix to prepare a mixed matrix membrane (MMM) for CO2/CH4 and CO2/N2 separation. The addition of MWCNTs prevented MIL-53(Al) aggregation, improved membrane mechanical properties, and enhanced gas separation efficiency.
Article
Energy & Fuels
Yunlong Li, Desheng Huang, Xiaomeng Dong, Daoyong Yang
Summary: This study develops theoretical and experimental techniques to determine the phase behavior and physical properties of DME/flue gas/water/heavy oil systems. Eight constant composition expansion (CCE) tests are conducted to obtain new experimental data. A thermodynamic model is used to accurately predict saturation pressure and swelling factors, as well as the phase boundaries of N2/heavy oil systems and DME/CO2/heavy oil systems, with high accuracy.
Article
Energy & Fuels
Morteza Afkhamipour, Ebad Seifi, Arash Esmaeili, Mohammad Shamsi, Tohid N. Borhani
Summary: Non-conventional amines are being researched worldwide to overcome the limitations of traditional amines like MEA and MDEA. Adequate process and thermodynamic models are crucial for understanding the applicability and performance of these amines in CO2 absorption, but studies on process modeling for these amines are limited. This study used rate-based modeling and Deshmukh-Mather method to model CO2 absorption by DETA solution in a packed column, validated the model with experimental data, and conducted a sensitivity analysis of mass transfer correlations. The study also compared the CO2 absorption efficiency of DETA solution with an ionic solvent [bmim]-[PF6] and highlighted the importance of finding optimum operational parameters for maximum absorption efficiency.
Article
Energy & Fuels
Arastoo Abdi, Mohamad Awarke, M. Reza Malayeri, Masoud Riazi
Summary: The utilization of smart water in EOR operations has gained attention, but more research is needed to understand the complex mechanisms involved. This study investigated the interfacial tension between smart water and crude oil, considering factors such as salt, pH, asphaltene type, and aged smart water. The results revealed that the hydration of ions in smart water plays a key role in its efficacy, with acidic and basic asphaltene acting as intrinsic surfactants. The pH also influenced the interfacial tension, and the aged smart water's interaction with crude oil depended on asphaltene type, salt, and salinity.
Article
Energy & Fuels
Dongao Zhu, Kun Zhu, Lixian Xu, Haiyan Huang, Jing He, Wenshuai Zhu, Huaming Li, Wei Jiang
Summary: In this study, cobalt-based metal-organic frameworks (Co-based MOFs) were used as supports and co-catalysts to confine the NHPI catalyst, solving the leaching issue. The NHPI@Co-MOF with carboxyl groups exhibited stronger acidity and facilitated the generation of active oxygen radicals O2•, resulting in enhanced catalytic activity. This research provides valuable insights into the selection of suitable organic linkers and broadens the research horizon of MOF hybrids in efficient oxidative desulfurization (ODS) applications.
Article
Energy & Fuels
Edwin G. Hoyos, Gloria Amo-Duodu, U. Gulsum Kiral, Laura Vargas-Estrada, Raquel Lebrero, Rail Munoz
Summary: This study investigated the impact of carbon-coated zero-valent nanoparticle concentration on photosynthetic biogas upgrading. The addition of nanoparticles significantly increased microalgae productivity and enhanced nitrogen and phosphorus assimilation. The presence of nanoparticles also improved the quality of biomethane produced.
Article
Energy & Fuels
Yao Xiao, Asma Leghari, Linfeng Liu, Fangchao Yu, Ming Gao, Lu Ding, Yu Yang, Xueli Chen, Xiaoyu Yan, Fuchen Wang
Summary: Iron is added as a flocculant in wastewater treatment and the hydrothermal carbonization (HTC) of sludge produces wastewater containing Fe. This study investigates the effect of aqueous phase (AP) recycling on hydrochar properties, iron evolution and environmental assessment during HTC of sludge. The results show that AP recycling process improves the dewatering performance of hydrochar and facilitates the recovery of Fe from the liquid phase.
Article
Energy & Fuels
He Liang, Tao Wang, Zhenmin Luo, Jianliang Yu, Weizhai Yi, Fangming Cheng, Jingyu Zhao, Xingqing Yan, Jun Deng, Jihao Shi
Summary: This study investigated the influence of inhibitors (carbon dioxide, nitrogen, and heptafluoropropane) on the lower flammability limit of hydrogen and determined the critical inhibitory concentration needed for complete suppression. The impact of inhibitors on explosive characteristics was evaluated, and the inhibitory mechanism was analyzed with chemical kinetics. The results showed that with the increase of inhibitor quantity, the lower flammability limit of hydrogen also increased. The research findings can contribute to the safe utilization of hydrogen energy.
Article
Energy & Fuels
Zonghui Liu, Zhongze Zhang, Yali Zhou, Ziling Wang, Mingyang Du, Zhe Wen, Bing Yan, Qingxiang Ma, Na Liu, Bing Xue
Summary: In this study, high-performance solid catalysts based on phosphotungstic acid (HPW) supported on Zr-SBA-15 were synthesized and evaluated for the one-pot conversion of furfural (FUR) to γ-valerolactone (GVL). The catalysts were characterized using various techniques, and the ratio of HPW and Zr was found to significantly affect the selectivity of GVL. The HPW/Zr-SBA-15 (2-4-15) catalyst exhibited the highest GVL yield (83%) under optimized reaction conditions, and it was determined that a balance between Bronsted acid sites (BAS) and Lewis acid sites (LAS) was crucial for achieving higher catalytic performance. The reaction parameters and catalyst stability were also investigated.
Article
Energy & Fuels
Michael Stoehr, Stephan Ruoff, Bastian Rauch, Wolfgang Meier, Patrick Le Clercq
Summary: As part of the global energy transition, an experimental study was conducted to understand the effects of different fuel properties on droplet vaporization for various conventional and alternative fuels. The study utilized a flow channel to measure the evolution of droplet diameters over time and distance. The results revealed the temperature-dependent effects of physical properties, such as boiling point, liquid density, and enthalpy of vaporization, and showed the complex interactions of preferential vaporization and temperature-dependent influences of physical properties for multi-component fuels.
Article
Energy & Fuels
Yuan Zhuang, Ruikang Wu, Xinyan Wang, Rui Zhai, Changyong Gao
Summary: Through experimental validation and optimization of the chemical kinetic model, it was found that methanol can accelerate the oxidation reaction of ammonia, and methanol can be rapidly oxidized at high concentration. HO2 was found to generate a significant amount of OH radicals, facilitating the oxidation of methanol and ammonia. Rating: 7.5/10.
Article
Energy & Fuels
Radwan M. EL-Zohairy, Ahmed S. Attia, A. S. Huzayyin, Ahmed I. EL-Seesy
Summary: This paper presents a lab-scale experimental study on the impact of diethyl ether (DEE) as an additive to waste cooking oil biodiesel with Jet A-1 on combustion and emission features of a swirl-stabilized premixed flame. The addition of DEE to biodiesel significantly affects the flame temperature distribution and emissions. The W20D20 blend of DEE, biodiesel, and Jet A-1 shows similar flame temperature distribution to Jet A-1 and significantly reduces UHC, CO, and NOx emissions compared to Jet A-1.
Article
Energy & Fuels
Jiang Bian, Ziyuan Zhao, Yang Liu, Ran Cheng, Xuerui Zang, Xuewen Cao
Summary: This study presents a novel method for ammonia separation using supersonic flow and develops a mathematical model to investigate the condensation phenomenon. The results demonstrate that the L-P nucleation model accurately characterizes the nucleation process of ammonia at low temperatures. Numerical simulations also show that increasing pressure and concentration can enhance ammonia condensation efficiency.
Article
Energy & Fuels
Shiyuan Pan, Xiaodan Shi, Beibei Dong, Jan Skvaril, Haoran Zhang, Yongtu Liang, Hailong Li
Summary: Integrating CO2 capture with biomass-fired combined heat and power (bio-CHP) plants is a promising method for achieving negative emissions. This study develops a reliable data-driven model based on the Transformer architecture to predict the flowrate and CO2 concentration of flue gas in real time. The model validation shows high prediction accuracy, and the potential impact of meteorological parameters on model accuracy is assessed. The results demonstrate that the Transformer model outperforms other models and using near-infrared spectral data as input features improves the prediction accuracy.
