Article
Energy & Fuels
Zhanshi Ni, Zhihui Song, Haobo Bi, Chunlong Jiang, Hao Sun, Zhicong Qiu, Liqun He, Qizhao Lin
Summary: In this study, co-combustion experiments using coal slime and cellulose were conducted. The addition of cellulose significantly improved the ignition and comprehensive combustion performance of coal slime. The dominant reaction in the co-combustion process was analyzed, revealing the mechanism of enhanced release and combustion of early volatiles. Furthermore, the evolution law and temperature dependence of gaseous products were analyzed using spectroscopy techniques.
Article
Biochemistry & Molecular Biology
Yan-Li Lu, Jun Liang, Fang-Yu Zhou, Hai-Xue Kuang, Yong-Gang Xia
Summary: This study introduces a novel 2DCOS-IR method for rapid characterization and discrimination of polysaccharides in Panax ginseng, P. notoginseng, and P. quinquefolius. The new procedure takes just 2 minutes to finish a sample measurement, offering advantages in quality evaluation of natural polysaccharides and featuring nondestructive, high-throughput, and high-efficiency characteristics. The method can be used for predictive modeling of different polysaccharides based on characteristic peaks.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Forestry
Liuyang Han, Xiangna Han, Guoqing Liang, Xingling Tian, Fang Ma, Suqin Sun, Yafang Yin, Guanglan Xi, Hong Guo
Summary: Waterlogged archaeological wood may degrade due to long-term immersion in microbial activity environments. A study on waterlogged fir wood from the Shengbeiyu shipwreck using SDVS and 2D COS-IR spectroscopy revealed inhomogeneous degradation and higher sorption hysteresis in decay regions compared to sound regions. This study demonstrates the efficacy of SDVS and 2D COS-IR spectroscopy in evaluating the degradation state of waterlogged wood and the existence of differences in hygroscopicity and chemistry among visually similar samples from the same shipwreck.
Article
Biochemistry & Molecular Biology
Xunxun Wu, Xintong Yang, Zhiyun Cheng, Suyun Li, Xiaokun Li, Haiyun Zhang, Yong Diao
Summary: In this study, a novel method using 2D-COS combined with ResNet was proposed for identifying gentian-related species. By extracting feature bands and optimizing the model, successful identification of seven different species was achieved. The results showed that using synchronous 2D-COS images combined with ResNet model yielded the best identification performance, and extracting a single feature band 1750-1100 cm(-1) further improved the convergence and accuracy of the model.
Article
Green & Sustainable Science & Technology
M. Jahirul, M. G. Rasul, R. J. Brown, W. Senadeera, M. A. Hosen, R. Haque, S. C. Saha, T. M. Mahlia
Summary: This study used principal component analysis and artificial intelligence models to investigate the impact of biodiesel chemical composition on its properties. By utilizing experimental data and literature information, the study established a model to show the complex multi-dimensional correlation between biodiesel properties and chemical composition.
Article
Environmental Sciences
Dingmei Wang, Yilin Mao, Liwen Mai, Zhen Yu, Jiacong Lin, Qinfen Li, Jing Yuan, Guoxue Li
Summary: This study aims to investigate and compare the effects of different rich-N sources (chicken manure, cattle manure, and urea) on the humification process of mushroom residues during composting. The addition of rich-N sources accelerated the humification process, with the chicken manure treatment showing the highest level of humification.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2023)
Article
Chemistry, Applied
Sara Zielinska, Izabela Staniszewska, Justyna Cybulska, Artur Zdunek, Monika Szymanska-Chargot, Danuta Zielinska, Zi-Liang Liu, Zhongli Pan, Hong-Wei Xiao, Magdalena Zielinska
Summary: The effect of different processing times of cold plasma treatment on the cell wall polysaccharides and phytochemical properties of okra pods was investigated. The results showed that the treatment time had an impact on the pectin content, lycopene and chlorophyll levels. Short cold plasma treatment was found to be beneficial to the antioxidant potential of okra pods.
FOOD HYDROCOLLOIDS
(2022)
Article
Chemistry, Analytical
Hongli Xiong, Qi Wang, Minzhu Zhao, Zhe Zheng, Shisheng Zhu, Ying Zhu, Yongguo Li, Siqiao Li, Shijia Ding, Hongwei Li, Jianbo Li
Summary: This study successfully distinguished between drowning and postmortem immersion using ATR-FTIR and chemometrics. Amide I and amide II played important roles in distinguishing between the two, while differences in protein structure and content were key factors.
MICROCHEMICAL JOURNAL
(2021)
Article
Polymer Science
Yeonju Park, Minkyoung Kim, Hae-jin Chung, Ah-hyun Woo, Isao Noda, Young-mee Jung
Summary: The research results suggest that the phase transition temperature of P(NiPAAm-co-AAc) decreases with decreasing pH, which is attributed to the change in the COOH group in AAc with varying pH. Additionally, 2D-COS analysis indicates that the phase transition mechanism of P(NiPAAm-co-AAc) at pH 4 differs from that at pH 2 due to the influence of the COOH group in AAc.
Article
Chemistry, Multidisciplinary
Yao Li, Huishan Lin, Qiming He, Chengguo Zuo, Mingkai Lin, Tao Xu
Summary: The feasibility of using drop-coating deposition Raman spectroscopy (DCDRS) to diagnose glaucoma based on tear samples was investigated. By collecting tear samples from glaucoma patients and normal individuals, principal component analysis-linear discriminant analysis (PCA-LDA) and support vector machine (SVM) were used for data analysis and classification, revealing that the differences in characteristic peaks of Raman spectra were associated with the variations in protein and lipid content. With the PCA-LDA-based SVM model, the overall accuracy reached 93.2%. The results suggest that tear samples combined with DCDRS and PCA-LDA-based SVM have the potential to be a non-invasive diagnostic method for glaucoma.
APPLIED SCIENCES-BASEL
(2023)
Article
Engineering, Biomedical
Ricardo Zamudio Canas, Orlando Zaca Moran, Maria Eugenia Jaramillo Flores, Veronica Vallejo Ruiz, Julio Reyes Leyva, Raul Delgado Macuil, Valentin Lopez Gayou
Summary: Vibrational analysis is a powerful tool for unraveling differences during malignant transformation, but data interpretation can be complicated due to the large amount of information generated by all chemical bonds in the sample. In this study, attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy and principal component analysis (PCA) were used to differentiate primary fibroblasts from cervical cancer cell lines. The results demonstrate the sensitivity of vibrational analysis in proposing new methods for disease detection.
BIOMEDICAL SIGNAL PROCESSING AND CONTROL
(2023)
Article
Biochemical Research Methods
Boris Y. Karas, Vera E. Sitnikova, Tatiana N. Nosenko, Vladimir G. Dedkov, Natalia A. Arsentieva, Natalia V. Gavrilenko, Ivan S. Moiseev, Areg A. Totolian, Andrey V. Kajava, Mayya V. Uspenskaya
Summary: The development of fast, cheap, and reliable methods for determining seroconversion is crucial. In the context of the COVID-19 pandemic, it is important to study the rate of immune layer formation in different populations and post-vaccination immunity. Attenuated total reflection Fourier transform infrared spectroscopy combined with machine learning was investigated for detecting seroconversion against SARS-CoV-2. The study found clear spectral differences in plasma samples of recovered COVID-19 patients and healthy donors, and achieved high accuracy in identifying specimens using this method.
JOURNAL OF BIOPHOTONICS
(2023)
Article
Computer Science, Hardware & Architecture
Nur-A-Alam, M. Ahsan, M. A. Based, J. Haider, M. Kowalski
Summary: This paper introduces an intelligent computational approach to automatically authenticate fingerprint for personal identification and verification. The feature vector is formed using combined features obtained from Gabor filtering technique and deep learning technique such as Convolutional Neural Network, and PCA is performed to reduce overfitting problems and improve classification accuracy. The proposed approach showed better performance in accuracy compared to recent classification techniques, as supported by confusion matrix results.
COMPUTERS & ELECTRICAL ENGINEERING
(2021)
Article
Food Science & Technology
Lu Zhang, Yan-Yan Liu, Ning-Ping Tao, Xi-Chang Wang, Shanggui Deng, Ying Lu, Chang-Hua Xu
Summary: A Multi-molecular infrared (MM-IR) spectroscopy identification system has been developed to simultaneously identify multiple pathogens and accurately target the source of infection. The system achieved high recognition and rejection rates in experiments with mixed bacterial strains and artificially contaminated fish.
Article
Energy & Fuels
Hongchun Shu, Zhen Gong, Xincui Tian
Summary: This study proposes a fault-section identification method based on PCA for hybrid distribution lines, demonstrating satisfactory performance on a 35kV system and investigating the impact of distributed generation and line lengths on the method's accuracy.
CSEE JOURNAL OF POWER AND ENERGY SYSTEMS
(2021)
Article
Chemistry, Analytical
Jianbo Chen, Suqin Sun, Qun Zhou
ANALYTICAL METHODS
(2016)
Article
Chemistry, Analytical
Jian-bo Chen, Qun Zhou, Su-qin Sun
ANALYTICAL METHODS
(2016)
Article
Chemistry, Applied
Jian-bo Chen, Su-qin Sun, Qun Zhou
Article
Chemistry, Physical
Fang Ma, Jian-bo Chen, Xian-xue Wu, Qun Zhou, Su-qin Sun
JOURNAL OF MOLECULAR STRUCTURE
(2016)
Article
Chemistry, Physical
Rui Yan, Jian-bo Chen, Su-qin Sun, Bao-lin Guo
JOURNAL OF MOLECULAR STRUCTURE
(2016)
Article
Spectroscopy
Jianbo Chen, Baolin Guo, Rui Yan, Suqin Sun, Qun Zhou
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2017)
Article
Spectroscopy
Lei Qu, Jian-bo Chen, Gui-Jun Zhang, Su-qin Sun, Jing Zheng
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2017)
Article
Chemistry, Multidisciplinary
Zhaosheng Fan, Jianbo Chen, Wenji Guo, Fang Ma, Suqin Sun, Qun Zhou
Article
Chemistry, Physical
Zhibiao Wang, Xu Wang, Wenxuan Pei, Sen Li, Suqin Sun, Qun Zhou, Jianbo Chen
JOURNAL OF MOLECULAR STRUCTURE
(2018)
Article
Chemistry, Physical
Jianbo Chen, Yue Wang, Lixin Rong, Jingjuan Wang
JOURNAL OF MOLECULAR STRUCTURE
(2018)
Article
Chemistry, Physical
Jianbo Chen, Yue Wang, Aoxue Liu, Lixin Rong, Jingjuan Wang
JOURNAL OF MOLECULAR STRUCTURE
(2018)
Article
Spectroscopy
Aoxue Liu, Jingjuan Wang, Yizhen Guo, Yao Xiao, Yue Wang, Suqin Sun, Jianbo Chen
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2018)
Article
Spectroscopy
Jianbo Chen, Jing Fan, Dan Wang, Shiyan Yue, Xiaolin Zhai, Yuan Gong, Jingjuan Wang
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2020)
Article
Spectroscopy
Le Yang, Tong Li, Li Yang, Ling Dong, Jianbo Chen
Summary: This study aims to develop more reasonable and objective criteria to evaluate the scorching degree of rhubarb in order to ensure its efficacy, safety, and consistency. By combining trait, chemical, and biological indicators, the appropriate scorching time was determined, and Fourier Transform Infrared Spectroscopy (FTIR) was used to assess the scorching process.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Biochemical Research Methods
Jianbo Chen, Suqin Sun, Qun Zhou
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2017)
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)