Article
Chemistry, Applied
Wenli Gao, Liang Zhou, Shengquan Liu, Ying Guan, Hui Gao, Jianjun Hu
Summary: In this study, regularization, classical machine learning, and advanced gradient boosting algorithms were used to build predictive models of poplar holocellulose content based on Raman spectra features. The evaluation results showed that classical machine learning algorithms outperformed regularization algorithms, and the advanced gradient boosting algorithms performed better than classical machine learning algorithms. Models built with CatBoost and XGBoost achieved high predictive accuracy for holocellulose content estimation. Therefore, Raman spectroscopy coupled with machine learning algorithms is a promising tool for predicting holocellulose content in poplar.
CARBOHYDRATE POLYMERS
(2022)
Article
Agricultural Engineering
Wenli Gao, Liang Zhou, Qianqian Jiang, Ying Guan, Ruyan Hou, Bin Hui, Shengquan Liu
Summary: In this study, a strategy of 1064 nm FT-Raman spectroscopy combined with several algorithms was proposed to establish lignin content predictive models with reliable results. Internal standard peaks were selected for data normalization, and credible models were obtained based on data normalized by a specific peak combined with regression algorithms. The developed models can accurately and efficiently predict the lignin content in poplar clones.
INDUSTRIAL CROPS AND PRODUCTS
(2022)
Article
Automation & Control Systems
Mourad Nachaoui, Amine Laghrib
Summary: This article proposes an improved super-resolution method that combines bilevel optimization technique with parameter learning strategy to effectively remove Gaussian and speckle noises, thus improving the quality of the restored image.
JOURNAL OF THE FRANKLIN INSTITUTE-ENGINEERING AND APPLIED MATHEMATICS
(2022)
Article
Chemistry, Analytical
Enping Lin, Nannan Zou, Yuqing Huang, Zhong Chen, Yu Yang
Summary: Diffusion-ordered NMR spectroscopy (DOSY) is an important tool for analyzing compound mixtures by revealing their diffusion behaviors. This paper proposes a novel method for reconstructing DOSY spectra, which ensures consistency of diffusion coefficients and enhances robustness using coordinated multiexponential fitting and sparse constraint. A lightweight neural network is applied as an optimizer to solve this nonlinear and nonconvex optimization problem. The proposed method provides estimated diffusion coefficients with excellent species distinction and outperforms state-of-the-art reconstruction algorithms.
ANALYTICAL CHEMISTRY
(2022)
Article
Agronomy
Yiping Peng, Lu Wang, Li Zhao, Zhenhua Liu, Chenjie Lin, Yueming Hu, Luo Liu
Summary: This study introduced a new method to improve the estimation of soil nutrient content based on hyperspectral remote-sensing techniques, successfully mapping soil TK content at a regional scale. The GBDT-GABP and LASSO-GABP methods were identified as the most accurate estimation methods for soil TN/TP and TK, respectively.
Article
Materials Science, Paper & Wood
Honghong Wang, Zhixin Xiong, Yunchao Hu, Zhijian Liu, Long Liang
Summary: Model transfer techniques in near infrared spectroscopy are important for avoiding duplicate modeling and reducing resources consumption. The use of the SWCSS-S/B algorithm, based on stable and consistent signals, improves the universality and accuracy of model transfer. This method reduces the predicted standard deviation of holocellulose and lignin contents, showing a significant improvement in transfer effect.
Article
Automation & Control Systems
Kaito Ito, Kenji Kashima
Summary: This paper addresses the optimal control problem of steering an agent population to a desired distribution over an infinite horizon. To tackle the high computational cost, the authors propose Sinkhorn MPC, an algorithm that integrates model predictive control (MPC) with the Sinkhorn algorithm using entropy regularization. The method achieves cost-effective transport in real time by simultaneously performing control and transport planning, as demonstrated in numerical examples. Furthermore, the authors reveal the global convergence property and boundedness of Sinkhorn MPC under certain assumptions on the iterations of the Sinkhorn algorithm integrated in MPC.
Article
Multidisciplinary Sciences
Miao-Ling Lin, Min Feng, Jiang-Bin Wu, Fei-Rong Ran, Tao Chen, Wei-Xia Luo, Heng Wu, Wen-Peng Han, Xin Zhang, Xue-Lu Liu, Yang Xu, Hai Li, Yu-Fang Wang, Ping-Heng Tan
Summary: The Moir?? pattern in twisted multilayers induces various emergent phenomena, and the patterned interfacial coupling plays a crucial role in these systems. This study determines the quantitative relationship between the lattice dynamics of out-of-plane optical phonons and patterned interfacial coupling in multilayer graphene Moir?? superlattices using a proposed perturbation model, revealing the modulation effects on phonon frequency and wavefunction.
Article
Environmental Sciences
Marta Sevillano-Gonzalez, Javier Gonzalez-Salamo, Francisco J. Diaz-Pena, Cintia Hernandez-Sanchez, Sergio Catalan Torralbo, Airan Rodenas Segui, Javier Hernandez-Borges
Summary: This study reveals the presence of microplastics in the digestive tracts and gonads of Diadema africanum sea urchins from Tenerife, Canary Islands, Spain. The microplastics identified were mainly microfibers, fragments, and films, with blue and translucent white being the predominant colors. The study also showed that the microplastics composition varied between the two sampling points, but not between the different tissues examined.
MARINE POLLUTION BULLETIN
(2022)
Article
Chemistry, Physical
Enping Lin, Zhemin Bai, Yifei Yuan, Zhiwei Chen, Yu Yang, Yuqing Huang, Zhong Chen
Summary: Multidimensional NMR spectroscopy is a powerful tool for structure elucidation and dynamic analysis of complex samples, particularly biological macromolecules. However, the reconstruction of Laplace-related NMR, which involves relaxation or diffusion detection, presents challenges due to its ill-posed property. Existing reconstruction methods for Laplace-related NMR sparse sampling suffer from poor resolution and possible artifacts, highlighting the need for more effective optimization algorithms.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Biochemical Research Methods
Armin Rauschenberger, Enrico Glaab, Mark A. van de Wiel
Summary: The study introduced an interpretable meta-learning approach for high-dimensional regression, called the elastic net, which balances weak effects for many features and strong effects for some features. By combining multiple weightings through stacking, it enhances predictive performance while maintaining interpretability.
Article
Multidisciplinary Sciences
Satish Karra, Mohamed Mehana, Nicholas Lubbers, Yu Chen, Abdourahmane Diaw, Javier E. Santos, Aleksandra Pachalieva, Robert S. Pavel, Jeffrey R. Haack, Michael Mckerns, Christoph Junghans, Qinjun Kang, Daniel Livescu, Timothy C. Germann, Hari S. Viswanathan
Summary: This article discusses the growing need to utilize computational power to achieve greater physical fidelity, and introduces a novel capability that uses active learning to optimize local simulations for informing coarse-scale hydrodynamics.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Buse Bilgin, Cenk Yanik, Hulya Torun, Mehmet Cengiz Onbasli
Summary: Surface-enhanced Raman spectroscopy (SERS) is a highly sensitive and molecule-specific detection technique that enhances Raman scattering from analytes using surface plasmon resonances. This study presents a genetic-algorithm (GA)-based optimization method for SERS substrates, demonstrating strong electric field localization over wide areas and validating model predictions. The optimized SERS substrates enable detailed Raman profile generation and could pave the way for photonic chips with arbitrary design constraints and performance targets.
Article
Chemistry, Physical
Enping Lin, Ville-Veikko Telkki, Xiaoqing Lin, Chengda Huang, Haolin Zhan, Yu Yang, Yuqing Huang, Zhong Chen
Summary: Laplace NMR, as a powerful technique for studying spin relaxation and diffusion, provides information on molecular motions and spin interactions. By utilizing tensor techniques and sparsity assumption, a general method for high-resolution reconstruction of multidimensional Laplace NMR data has been proposed, broadening the scope of its applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Analytical
Zengyun Gong, Chen Chen, Cheng Chen, Chenxi Li, Xuecong Tian, Zhongcheng Gong, Xiaoyi Lv
Summary: This study optimizes the processing of Raman spectral data by using deep learning techniques and model compression algorithms. A model named RamanCompact (RamanCMP) is proposed and optimized based on evaluation metrics such as time, accuracy, sensitivity, specificity, and FLOPs. Experimental data from the RRUFF public dataset are used, and 1D-EfficientNet and 1D-DRSN models are employed to improve classification accuracy. Three model compression methods are designed. The results show that these methods can improve classification accuracy and reduce inference time.
ANALYTICA CHIMICA ACTA
(2023)
Review
Chemistry, Applied
Xingran Kou, Dongdong Su, Fei Pan, Xiwei Xu, Qingran Meng, Qinfei Ke
Summary: This review provides a systematic discussion of the application of molecular dynamics (MD) simulations in aroma compounds (ACs)/cyclodextrins (CDs) inclusion complexes (ICs). It covers the establishment of the simulation process, parameter selection, model evaluation, and various application cases, summarizing the major achievements and challenges of this method.
CARBOHYDRATE POLYMERS
(2024)
Review
Chemistry, Applied
Haoyu Yu, Quanbin Zhang, Ammad Ahmad Farooqi, Jing Wang, Yang Yue, Lihua Geng, Ning Wu
Summary: Brown algae are rich in fucoidan, which has been found to have anti-cancer and anti-metastasis effects. Fucoidan inhibits tumor cell growth, proliferation, and metastasis, and also promotes immune responses in the tumor microenvironment.
CARBOHYDRATE POLYMERS
(2024)
Review
Chemistry, Applied
Liang Dong, Yanan Li, Hailin Cong, Bing Yu, Youqing Shen
Summary: Gene therapy is a revolutionary treatment that requires suitable vectors for protecting and releasing exogenous nucleic acids in target cells. Chitosan, as a non-viral vector, has gained attention due to its good biocompatibility and ability to load large amounts of nucleic acids. This paper summarizes the potential of chitosan and its derivatives as gene delivery vector materials, discusses factors influencing transfection efficiency, performance evaluation, ways to optimize infectious efficiency, and current research development directions. It also provides an outlook on the future prospects of chitosan.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Ana Iglesias-Mejuto, Beatriz Magarinos, Tania Ferreira-Goncalves, Ricardo Starbird-Perez, Carmen Alvarez-Lorenzo, Catarina Pinto Reis, Ines Ardao, Carlos A. Garcia-Gonzalez
Summary: This study developed a novel processing strategy to manufacture drug-loaded and personalized aerogels with nanostructures. The aerogels demonstrated bioactivity and antimicrobial effects, promoting bone regeneration and preventing infections in bone tissue engineering.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Zhenxu Shi, Dimei Yang, Yan Zhou, Xinyu Chen, Lin Gan, Jin Huang
Summary: This study proposes a micro-assembly method to improve the photoluminescent properties of crystalline cellulose nanocrystals (CNCs) by organizing them within a sub-micrometer-sized metal-organic framework and coating with TiO2. The TiO2 coating prevents CNC assembly breakdown and allows information to be revealed using screenprinted labels for anti-counterfeiting purposes.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Xuejiao Liu, Bin Fu, Jierong Chen, Zhenyu Sun, Dongdong Zheng, Zhonghua Li, Bing Gu, Ying Zhang, Haojie Lu
Summary: Liver disease is a major cause of global mortality, and identifying biomarkers for diagnosing its progression is crucial for improving outcomes. Targeted mass spectrometry is a powerful tool for verifying biomarker candidates and clinical applications, particularly for glycoproteins translation. However, the limitation of analyzing only one sample per run has become apparent. In this study, a high-throughput intact N-glycopeptides quantification strategy was developed, allowing the validation of 20 samples per run with an average analysis time of 3 minutes per sample. The strategy was applied in a cohort of 461 serum samples and identified a panel of 10 IgG N-glycopeptides that have strong clinical utility in evaluating the severity of liver disease.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Qian Wang, Hao Jiang, Hongli Zhang, Weiqiao Lu, Xiao Wang, Wenfeng Xu, Jia Li, Youjing Lv, Guoyun Li, Chao Cai, Guangli Yu
Summary: This study proposes a novel strategy of antibody-beta-glucan conjugates (AGC) to enhance the antitumor immune response to immune checkpoint blockade (ICB) therapy. AGC demonstrated powerful tumor suppression and promoted interaction between tumor cells and dendritic cells (DCs), thereby enhancing immunotherapeutic benefits.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Chaeyeon Lee, Sojeong Lee, Sang Wook Kang
Summary: The study aims to enhance the properties of porous membranes by addressing the limitations associated with phase separation. By using cellulose acetate and citric acid, the researchers were able to fabricate membranes with improved mechanical strength and thermal stability. The cross-linking effect of citric acid resulted in a more uniform pore structure and higher porosity.
CARBOHYDRATE POLYMERS
(2024)
Review
Chemistry, Applied
Tejaswini Kolipaka, Giriraj Pandey, Noella Abraham, Dadi A. Srinivasarao, Rajeev Singh Raghuvanshi, P. S. Rajinikanth, Vidya Tickoo, Saurabh Srivastava
Summary: This review focuses on the design and application of polysaccharide-based hydrogel wound dressings, highlighting aspects such as biocompatibility, biodegradability, drug entrapment, moisturizing ability, swelling, and mechanical properties. Additionally, various crosslinking methods and recent developments in stimuli-responsive hydrogels are discussed.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Anqi Xu, Nan Zhang, Shixing Su, Hongyu Shi, Daoqiang Lu, Xifeng Li, Xin Zhang, Xin Feng, Zhuohua Wen, Gengwu Ma, Mengshi Huang, Chi Huang, Yuqi Hu, Hao Yuan, Qinwen Liu, Daogang Guan, Jun Wang, Chuanzhi Duan
Summary: The study presents a one-pot radical polymerization method to fabricate a hydrogel with adhesive properties, which can effectively treat bacterial-infected diabetic wounds and accelerate wound healing.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Montarop Yamabhai, Munthipha Khamphio, Thae Thae Min, Chai Noy Soem, Nguyen Cao Cuong, Waheni Rizki Aprilia, Krisanai Luesukprasert, Karsidete Teeranitayatarn, Atthaphon Maneedaeng, Tina R. Tuveng, Silje B. Lorentzen, Simen Antonsen, Paiboon Jitprasertwong, Vincent G. H. Eijsink
Summary: The study investigates the bioconversion of chitosan into soluble anti-inflammatory chitosan oligosaccharides (CHOS) using an enzyme. The results show that the generated CHOS have anti-inflammatory activity, but the magnitude of the activity depends on the substrate and production process. Different methods of dissolving chitosan also affect the properties of CHOS. The study highlights the importance of quality assurance in CHOS preparations.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Wen Cao, Jiangping Wu, Xinya Zhao, Zixu Li, Jie Yu, Taili Shao, Xuefeng Hou, Lutan Zhou, Chunfei Wang, Guodong Wang, Jun Han
Summary: In this study, a water-soluble polysaccharide (PLP1) was successfully isolated and purified from Pueraria lobata. It was found that PLP1 was composed of specific glycosidic units and exhibited a better free radical-scavenging ability. Moreover, PLP1 effectively protected the liver against acute alcoholic liver disease (ALD) in mice.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Ya Su, Yaqian Liu, Xueyan Hu, Yueqi Lu, Jinyuan Zhang, Wenbo Jin, Wang Liu, Yan Shu, Yuen Yee Cheng, Wenfang Li, Yi Nie, Bo Pan, Kedong Song
Summary: A 3D printed scaffold based on carbon dots-curcumin nano-drug release has been developed for drug delivery after breast cancer surgery. The scaffold showed effective inhibition of tumor growth, antibacterial activity, and promotion of wound healing, making it a promising approach for preventing tumor recurrence.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Ekaterina Sokolova, Diane Jouanneau, Antonin Chevenier, Murielle Jam, Nathalie Desban, Pierre Colas, Elizabeth Ficko-Blean, Gurvan Michel
Summary: Carrageenans, a compound synthesized in red algae, have various biological properties and are valuable in the pharmaceutical and cosmetic industries. Their fine structure affects wound healing, oxidative processes, hemostasis, and inflammation. Enzymatic modification of carrageenans produces oligosaccharides that bind to natural human serum antibodies and specific antibodies, showing potential for therapeutic applications.
CARBOHYDRATE POLYMERS
(2024)
Article
Chemistry, Applied
Yan Shi, Miao Yu, Kaijin Qiu, Tiantian Kong, Chunjing Guo, Wenxue Zhang, Daquan Chen, Ming Kong
Summary: In this study, functionalized transfersomes were developed to co-deliver doxorubicin and 1MT towards primary tumors and tumor draining lymph nodes via transdermal administration using microneedles. The results showed that the nano-complexed microneedles exhibited a stronger suppression in tumor growth compared to the intravenous group.
CARBOHYDRATE POLYMERS
(2024)