jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Thomas Gauthier | Nicolas Godin | Gaël Privault | Roman Bertoni | Étienne Janod | Danylо Babich | B. Corraze | Julien Tranchant | Laurent Cario
Source: Physical Review Research (article, 2024-10-15)
Field: Materials Science — Polymers and Plastics

Ultrafast spectroscopy of coherent phonons across the pressure driven insulator to metal phase transition in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="normal">V</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> Nowadays, materials science is moving towards the understanding and control of materials in nonequilibrium states by making use of perturbative techniques to investigate their dynamical responses. From this perspective, the use of ultrashort light pulses seems to be a relevant approach as it can selectively address different degrees of freedom in solid-state systems and more particularly electrons. Such a method can help to decipher the physical phenomena arising from electronic correlations and complements a more conventional methodology where the phase diagrams of materials are investigated at thermodynamical equilibrium. Here, we combine femtosecond optical spectroscopy and a high-pressure setup to monitor the ultrafast out-of-equilibrium photo response of a <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mrow><a:msub><a:mi mathvariant="normal">V</a:mi><a:mn>2</a:mn></a:msub><a:msub><a:mi mathvariant="normal">O</a:mi><a:mn>3</a:mn></a:msub></a:mrow></a:math> thin film across the pressure driven insulator-to-metal transition. The experimental results demonstrate the possibility to use the spectroscopy of coherent phonons as a thermodynamical phase marker in <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"><d:mrow><d:msub><d:mi mathvariant="normal">V</d:mi><d:mn>2</d:mn></d:msub><d:msub><d:mi mathvariant="normal">O</d:mi><d:mn>3</d:mn></d:msub></d:mrow></d:math> thin films. In addition, the frequency behavior of the ultrafast coherent phonon mode (<g:math xmlns:g="http://www.w3.org/1998/Math/MathML"><g:msub><g:mi mathvariant="normal">A</g:mi><g:mrow><g:mn>1</g:mn><g:mi>g</g:mi></g:mrow></g:msub></g:math> character) seems to reflect the manifestation of a strong coupling between the lattice and electronic degrees of freedom near first-order transition lines with a pronounced drop in frequency around the critical pressure. Published by the American Physical Society 2024 Phonon ; Ultrashort pulse ; Femtosecond ; Non-equilibrium thermodynamics ; Spectroscopy ; Phase transition ; Physics ; Condensed matter physics ; Materials science ; Thermodynamics ; Quantum mechanics ; Laser Transition Metal Oxide Nanomaterials ; Electronic and Structural Properties of Oxides ; Spectroscopy and Quantum Chemical Studies
Authors: Anastasia Povolotckaia | Svetlana Kaputkina | I. V. Grigorieva | Dmitrii Pankin | Evgenii Borisov | Anna Vasileva | Valeria Kaputkina | Maria Dynnikova
Source: Heritage (article, 2024-08-30)
Field: Materials Science — Biomaterials

The Nitrate Cellulose Negatives: Degradation Study via Chemometric Methods Photographic artifacts carry important historical and cultural information. Materials used in photography at the turn of the XIXth and XXth centuries tend to degrade both over time and if the temperature and humidity conditions of storage are violated. In this connection, the question arises of determining the safety degree and monitoring the condition of photographic materials. Close attention should be paid to photographic materials that become flammable as a result of decomposition. This class of objects includes photographic films based on cellulose nitrate. This study was aimed at examining 100 negatives and stereonegatives from the collection of Karl Kosse dating from 1902 to 1917 as typical examples of these hazard class objects. The degradation of individual negatives was accompanied by a significant change in color—yellowing. The base of photographic negatives (cellulose nitrate and camphor) was determined by Raman spectroscopy, and the presence of a gelatin layer was determined by ATR-FTIR spectroscopy. Using chemometric analysis methods based on the RGB components of digital photos of negatives, an approach has been proposed for determining the state of degradation. The use of the support vector machine approach allows for obtaining a decision boundary, which can be later used to analyze a large data array. Cellulose ; Degradation (telecommunications) ; Nitrate ; Environmental chemistry ; Environmental science ; Chemistry ; Computer science ; Organic chemistry Advanced Cellulose Research Studies ; Cultural Heritage Materials Analysis ; Glass properties and applications
Authors: Kang‐Lin Hsieh | Qing Chen | Travis C. Salzillo | Jian Zhang | Xiaoqian Jiang | Pratip K. Bhattacharya | Shyan Shams
Source: Metabolites (article, 2024-08-14)
Field: Chemistry — Spectroscopy

Hyperpolarized Magnetic Resonance Imaging, Nuclear Magnetic Resonance Metabolomics, and Artificial Intelligence to Interrogate the Metabolic Evolution of Glioblastoma Glioblastoma (GBM) is a malignant Grade VI cancer type with a median survival duration of only 8-16 months. Earlier detection of GBM could enable more effective treatment. Hyperpolarized magnetic resonance spectroscopy (HPMRS) could detect GBM earlier than conventional anatomical MRI in glioblastoma murine models. We further investigated whether artificial intelligence (A.I.) could detect GBM earlier than HPMRS. We developed a deep learning model that combines multiple modalities of cancer data to predict tumor progression, assess treatment effects, and to reconstruct in vivo metabolomic information from ex vivo data. Our model can detect GBM progression two weeks earlier than conventional MRIs and a week earlier than HPMRS alone. Our model accurately predicted in vivo biomarkers from HPMRS, and the results inferred biological relevance. Additionally, the model showed potential for examining treatment effects. Our model successfully detected tumor progression two weeks earlier than conventional MRIs and accurately predicted in vivo biomarkers using ex vivo information such as conventional MRIs, HPMRS, and tumor size data. The accuracy of these predictions is consistent with biological relevance. Magnetic resonance imaging ; In vivo ; Ex vivo ; Glioblastoma ; Metabolomics ; Brain tumor ; Medicine ; Clinical significance ; In vivo magnetic resonance spectroscopy ; Cancer ; Tumor progression ; Glioma ; Pathology ; Nuclear medicine ; Cancer research ; Biology ; Radiology ; Bioinformatics ; Internal medicine Advanced NMR Techniques and Applications ; Glioma Diagnosis and Treatment ; Advanced MRI Techniques and Applications
Authors: Degao Wang | Z. X. Sun | Xinxia Huang | Mingzhong Liu | Qingqing Zheng | Huailiang Zhang | Guanghe Zhang
Source: Geocarto International (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Pine wood nematode disease area identification based on multi-temporal multi-source remote sensing images and BIT model Pine wood nematode (PWN) disease is a severe contagious disease in forests which endangers the health of forests, as it can rapidly kill trees. The detection of regions impacted by this disease plays a crucial role in forest management, remediation efforts and ensuring the overall ecological security of forests. With the advancements in remote sensing technology, remote sensing images offer distinct advantages such as extensive coverage, timely data acquisition and high spatial resolution, making them highly suitable for accurately and efficiently identifying PWN disease areas. This article introduces a deep learning approach for the identification of PWN disease areas using multi-temporal and multi-source remote sensing images. Specifically, a specialized model called the bitemporal image transformer (BIT) model is developed and trained using multi-temporal Beijing-2 and Beijing-3 images acquired at different stages of PWN disease. BIT is a twin network for semantic segmentation with transformer structure and its backbone utilizes the Resnet structure. The input bitemporal image can be represented by several semantic tokens and encoded using a transformer encoder. The contextual information learned from the tokens is subsequently applied back to the pixel space. Finally, transformer decoder is utilized to refine the original features. To evaluate the model's generalization ability, the best-trained model for different regions affected by pine nematode disease is identified using a transfer learning mechanism. The experimental results demonstrate a significant enhancement in classification accuracy using the proposed method, with a noteworthy 15.23% improvement in F1-score, 9.34% in accuracy, 11.7% in precision, 12.88% in recall, compared to traditional methods. Moreover, the model exhibits impressive generalization Computer science ; Artificial intelligence ; Pixel ; Segmentation ; Beijing ; Remote sensing ; Deep learning ; Pattern recognition (psychology) ; Data mining ; Geography Wood and Agarwood Research ; Plant Pathogens and Fungal Diseases ; Smart Agriculture and AI
Authors: Enio H. P. Da Silva | Sílvio de Barros | Pascal Casari | Marcelo Leite Ribeiro
Source: Data in Brief (article, 2024-02-15)
Field: Materials Science — Polymers and Plastics

Raw dataset of compression tests on a vegetable oil-based polyurethane foam exposed to different ageing conditions The current dataset brings raw compression test information of a vegetable-based polyurethane foam (PUF) exposed to different temperatures over different periods of time. Such experimental dataset can provide researchers with important information in the application of numerical and data-driven simulations. Also, it saves money and time once the experimental part is already available. At total, 90 compression tests were done following the ASTM D1621-16 standard with pictures for digital image correlation (DIC) being simultaneously acquired. The 90 specimens were divided in nine different ageing conditions. The foam was considered transversely isotropic, thus, 10 specimens for each condition were divided in two groups, five specimens for direction 1 and five for direction 3, where direction 3 is the foam expansion direction. The 3D DIC results show longitudinal and transverse strains from virtual extensometers. The results are available in <i>.TRA</i> and .<i>csv</i> files for the tests and DIC outputs, respectively. Also, the dataset brings the pictures used for DIC in .TIF format. It also brings the dimensions of each specimen prior to the test in <i>.txt</i> format. These results provide information for the calculation of major mechanical properties that can be freely used in finite element models for different and creative ways to simulate the ageing process of a vegetable-based PUF. Polyurethane ; Compression (physics) ; Raw material ; Composite material ; Pulp and paper industry ; Materials science ; Ageing ; Compression test ; Computer science ; Engineering ; Chemistry ; Medicine Polymer composites and self-healing ; Structural Analysis of Composite Materials ; Natural Fiber Reinforced Composites
Authors: Hala Salim Sonbol
Source: Archives of Pharmacy Practice (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Nutritional Proteomics: A Key to Unlocking Optimal Human Health Proteomics is a scientific field dedicated to the investigation of protein structure function and interactions within living organisms. The review paper explores facets of proteomics and its diverse applications across various research domains. The review sheds light on the crucial role of the proteome within an organism, influenced by factors such as its physiological condition and surroundings. Nutritional proteomics, referred to as neuroproteomics, employs proteomic methods to delve into the Key (lock) ; Human health ; Proteomics ; Computational biology ; Biotechnology ; Chemistry ; Computer science ; Environmental health ; Biology ; Medicine ; Biochemistry ; Computer security ; Gene Advanced Proteomics Techniques and Applications ; Nutrition, Genetics, and Disease ; Metabolomics and Mass Spectrometry Studies
Authors: Leandro B. Borré | Eduardo Gomes Rodrigues de Sousa | Rosane A. S. San Gil | Mateus Marinho Baptista | Alexandre A. Leitão | João Monnerat Araújo Ribeiro de Almeida | Olívia Carr | Osvaldo N. Oliveira | Flávio M. Shimizu | Thiago Frances Guimarães
Source: Pharmaceuticals (article, 2024-07-02)
Field: Chemistry — Spectroscopy

Solid-State NMR Characterization of Mefloquine Resinate Complexes Designed for Taste-Masking Pediatric Formulations Mefloquine (MQ) is an antimalarial medication prescribed to treat or malaria prevention.. When taken by children, vomiting usually occurs, and new doses of medication frequently need to be taken. So, developing pediatric medicines using taste-masked antimalarial drug complexes is mandatory for the success of mefloquine administration. The hypothesis that binding mefloquine to an ion-exchange resin (R) could circumvent the drug's bitter taste problem was proposed, and solid-state <sup>13</sup>C cross-polarization magic angle spinning (CPMAS) NMR was able to follow MQ-R mixtures through chemical shift and relaxation measurements. The nature of MQ-R complex formation could then be determined. Impedimetric electronic tongue equipment also verified the resinate taste-masking efficiency in vitro. Variations in chemical shifts and structure dynamics measured by proton relaxation properties (e.g., T1<i>ρ</i><sup>H</sup>) were used as probes to follow the extension of mixing and specific interactions that would be present in MQ-R. A significant decrease in T1<i>ρ</i><sup>H</sup> values was observed for MQ carbons in MQ-R complexes, compared to the ones in MQ (from 100-200 ms in MQ to 20-50 ms in an MQ-R complex). The results evidenced that the cationic resin interacts strongly with mefloquine molecules in the formulation of a 1:1 ratio complex. Thus, <sup>13</sup>C CPMAS NMR allowed the confirmation of the presence of a binding between mefloquine and polacrilin in the MQ-R formulation studied. Masking (illustration) ; Mefloquine ; Characterization (materials science) ; Taste ; Solid-state ; Medicine ; Chemistry ; Nanotechnology ; Materials science ; Physical chemistry ; Food science ; Pathology ; Art ; Plasmodium falciparum Advanced NMR Techniques and Applications ; Muon and positron interactions and applications ; Advanced MRI Techniques and Applications
Authors: K. Joseph Shrestha | Pramen P. Shrestha | Jacimaria R. Batista
Source: Civil Engineering and Architecture (article, 2024-02-04)
Field: Materials Science — Materials Chemistry

Analyzing the Life-Cycle Cost of Manholes: Cement Concrete Versus Polymer Concrete In the United States sewer networks, cement concrete (CC) manholes are widely utilized. However, due to their great susceptibility to chemical corrosion, these manholes have shorter lifespan. In comparison to CC manholes, polymer concrete (PC) manholes in sewer networks are shown to have greater resistance to chemical corrosion and longer lifespans. Despite this advantage, use of PC manholes in public works has been limited by their higher initial installation cost. There are very limited studies conducted in this subject; therefore, the key objective of this study is to compare CC and PC manholes and identify the most cost-effective option based on life-cycle costs (LCC). This study collected 60-inch and 48-inch diameter manhole data from the Clark County Water Reclamation District, Las Vegas, Nevada, United States. Since the data were not normally distributed, non-parametric tests were carried out to determine the group differences. The findings showed that the LCC costs of CC manholes, considering both installation and replacement costs, are significantly less than those of PC manholes. However, the differences were not significant for both sizes of pipes when the LCC costs were computed considering the installation costs only. The practical application of this study is that public agencies can employ the CC manholes as the cost-effective option for 60-inch and 48-inch sizes. The results of this study may assist public agencies in choosing cost-effective manhole options in future manhole projects. This study has a limitation in that the findings are directly applicable to 60-inch and 48-inch manholes; public agency engineers should take caution to implement the findings to other sizes. Cement ; Forensic engineering ; Geotechnical engineering ; Engineering ; Materials science ; Structural engineering ; Composite material Material Properties and Failure Mechanisms ; Structural Integrity and Reliability Analysis ; BIM and Construction Integration
Authors: Chengxu Sun | Xue‐Jing Ma | JeromeJeyakumar John Martin | Hongxing Cao | Yu Zhang | Yanming Gao | Chunyu Xing | Mingming Hou
Source: PeerJ (article, 2024-09-26)
Field: Chemistry — Inorganic Chemistry

Preliminary study on the association between lignan metabolites and CT non-destructive testing of coconut fruit at different developmental stages Lignans play a crucial role in maintaining plant growth, development, metabolism and stress resistance. Computed tomography (CT) imaging technology can be used to explore the internal structure and morphology of plants, and understanding the correlation between the two is highly significant. In this study, the content of lignan metabolites in coconut water was determined using liquid chromatography. The internal structure data of coconut fruit was obtained by CT scanning, and the relationship between lignan metabolites and CT image data at different developmental stages was evaluated using partial least square (PLS) regression. The results showed that the total lignan content in coconut water initially decreased, then increased, and gradually decreased after the maturity stage. The Wenye No. 5 variety exhibited higher levels of Epiturinol, Turbinol, Isobarinin-9'-o-glucoside, 5'-methoxy-rohanoside, Rohan rosin-4,4'-di-o-glucoside, turbinol-4-O-glucoside, cycloisoperinolin-4-O-glucoside compared to local coconuts. Coconut meat had the greatest effect on Rohan rosin-4,4'-di-o-glucoside, coconut water on Daphne, and coconut shell and coconut fiber on Larinin-4'-o-glucoside. The data from different parts of coconut fruit's images showed a significant correlation with the content of lignan metabolites. This study has preliminarily explored the correlation between non-destructive testing of coconut fruit and its development process of coconut fruit, providing a new approach and method for further research on non-destructive testing of coconut fruit development. Lignan ; Food science ; Horticulture ; Biology ; Glucoside ; Botany ; Chemistry ; Medicine Coconut Research and Applications ; Biochemical and biochemical processes ; Tannin, Tannase and Anticancer Activities
Authors: Elizaveta Sarygina | Anna Kozlova | Elena A. Ponomarenko | Ekaterina V. Ilgisonis
Source: Biomeditsinskaya Khimiya (article, 2024-01-01)
Field: Chemistry — Spectroscopy

The human proteome size as a technological development function Changes in information on the number of human proteoforms, post-translational modification (PTM) events, alternative splicing (AS), single-amino acid polymorphisms (SAP) associated with protein-coding genes in the neXtProt database have been retrospectively analyzed. In 2016, our group proposed three mathematical models for predicting the number of different proteins (proteoforms) in the human proteome. Eight years later, we compared the original data of the information resources and their contribution to the prediction results, correlating the differences with new approaches to experimental and bioinformatic analysis of protein modifications. The aim of this work is to update information on the status of records in the databases of identified proteoforms since 2016, as well as to identify trends in changes in the quantities of these records. According to various information models, modern experimental methods may identify from 5 to 125 million different proteoforms: the proteins formed due to alternative splicing, the implementation of single nucleotide polymorphisms at the proteomic level, and post-translational modifications in various combinations. This result reflects an increase in the size of the human proteome by 20 or more times over the past 8 years. Human proteome project ; Proteome ; Alternative splicing ; Computational biology ; Computer science ; Function (biology) ; RNA splicing ; Bioinformatics ; Gene ; Proteomics ; Biology ; Genetics ; RNA ; Messenger RNA Advanced Proteomics Techniques and Applications ; Machine Learning in Bioinformatics ; Bioinformatics and Genomic Networks
Authors: Yicheng Cao | Wei Luo | Zhen Yang | Haofeng Xie | Wenjing Zhang | Zengde Li | Lijun Peng | Yunqing Zhu | Jun Liu
Source: Materials (article, 2024-10-31)
Field: Materials Science — Materials Chemistry

Investigation of the Softening Resistance Behavior and Its Mechanism in Cu-Ni-Si Alloys with Discontinuous Precipitates In this study, isothermal annealing experiments were conducted on copper-nickel-silicon alloys containing continuous precipitates (CP) and discontinuous precipitates (DP) to investigate the effects of different types of precipitate phases on the microstructural evolution and softening temperature during annealing, as well as to analyze the differences in softening mechanisms. The experimental results revealed that the softening temperature of the CP alloy, subjected to 75% cold deformation, was 505 °C. In contrast, the DP alloy achieved softening temperatures of 575 °C and 515 °C after 75% and 97.5% cold deformation, respectively. This indicates that the DP alloy exhibits significantly superior softening resistance compared to the CP alloy, attributed to the distinct softening mechanisms of the two alloys. In the CP alloy, softening is primarily influenced by factors such as the coarsening of the precipitate phase, the occurrence of recrystallization, and the reduction in dislocation density. In the DP alloy, the balling phenomenon of the DP phase is more pronounced, and its unique microstructure exerts a stronger hindrance to dislocation and grain boundary motion. This hindrance effect reduces the extent of recrystallization and results in a smaller decrease in dislocation density. In summary, the DP alloy, due to its unique microstructure and softening mechanisms, demonstrates better softening resistance, providing higher durability and stability for high-temperature applications. Materials science ; Softening ; Alloy ; Annealing (glass) ; Microstructure ; Recrystallization (geology) ; Metallurgy ; Isothermal process ; Dislocation ; Composite material ; Thermodynamics Microstructure and mechanical properties ; Aluminum Alloy Microstructure Properties ; Metallurgy and Material Science