jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: A. Serma Saravana Pandian | V. Rajinikanth | Mathiyazhagan Narayanan
Source: Discover Materials (article, 2025-08-29)
Field: Materials Science — Biomaterials

Harnessing marine macroalgae for bioplastic materials production: a comprehensive review The escalating environmental issues linked to petroleum-derived plastics have prompted the exploration of environmentally friendly alternates, with macroalgae from the sea presenting a viable feedstock for bioplastic manufacturing. This paper examines the possibilities of bioplastics generated from macroalgae, emphasizing essential polysaccharides like alginate, carrageenan, and agar, which provide biodegradability, sustainability, and a decreased carbon footprint relative to traditional plastics. The discourse encompasses the chemical composition, extraction methodologies, as well as polymer processing processes, including innovations in enzyme-assisted extraction (EAE) as well as nanocomposite incorporation to improve material characteristics. Notwithstanding its benefits, macroalgae-derived bioplastics encounter obstacles like elevated production expenses, mechanical deficiencies, and restrictions in scalability. Integrating methods using additional biopolymers along with plasticizers might enhance flexibility, moisture resistance, and strength hence broadening their potential uses in biomedical, packaging, as well as industrial domains. Furthermore, sustainable algae cultivation, policy endorsement, and expenditure on biorefinery techniques are essential to achieve commercial feasibility. This analysis emphasizes the economic, ecological, as well as technological obstacles impeding large-scale implementation, while also pinpointing prospective avenues for research and development. Overcoming these constraints could enable marine macroalgae-based bioplastics to foster a more sustainable, circular bioeconomy, diminish dependence on fossil fuels, as well as alleviate plastic contamination. Bioplastic ; Production (economics) ; Biochemical engineering ; Business ; Environmental science ; Engineering ; Waste management ; Economics biodegradable polymer synthesis and properties ; Bone Tissue Engineering Materials ; Nanocomposite Films for Food Packaging
Authors: Changqing An | Maozhen Qu | Yiran Zhao | Zihao Wu | Xiaopeng Lv | Yida Yu | Zichao Wei | Xiuqin Rao | Huirong Xu
Source: Foods (article, 2025-08-18)
Field: Chemistry — Analytical Chemistry

Accurate Classification of Multi-Cultivar Watermelons via GAF-Enhanced Feature Fusion Convolutional Neural Networks The online rapid classification of multi-cultivar watermelon, including seedless and seeded types, has far-reaching significance for enhancing quality control in the watermelon industry. However, interference in one-dimensional spectra affects the high-accuracy classification of multi-cultivar watermelons with similar appearances. This study proposed an innovative method integrating Gramian Angular Field (GAF), feature fusion, and Squeeze-and-Excitation (SE)-guided convolutional neural networks (CNN) based on VIS-NIR transmittance spectroscopy. First, one-dimensional spectra of 163 seedless and 160 seeded watermelons were converted into two-dimensional Gramian Angular Summation Field (GASF) and Gramian Angular Difference Field (GADF) images. Subsequently, a dual-input CNN architecture was designed to fuse discriminative features from both GASF and GADF images. Feature visualization of high-weight channels of the input images in convolutional layer revealed distinct spectral features between seedless and seeded watermelons. With the fusion of distinguishing feature information, the developed CNN model achieved a classification accuracy of 95.1% on the prediction set, outperforming traditional models based on one-dimensional spectra. Remarkably, wavelength optimization through competitive adaptive reweighted sampling (CARS) reduced GAF image generation time to 55.19% of full-wavelength processing, while improving classification accuracy to 96.3%. A better generalization of the model was demonstrated using 17 seedless and 20 seeded watermelons from other origins, with a classification accuracy of 91.9%. These findings substantiated that GAF-enhanced feature fusion CNN can significantly improve the classification accuracy of multi-cultivar watermelons, casting innovative light on fruit quality based on VIS-NIR transmittance spectroscopy. Convolutional neural network ; Artificial intelligence ; Gramian matrix ; Pattern recognition (psychology) ; Feature (linguistics) ; Computer science ; Feature extraction ; Mathematics ; Physics ; Eigenvalues and eigenvectors Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Remote-Sensing Image Classification
Authors: Chengheng Li | Junkun Pan | Muhammad Nawaz | Hui Liu | Zhenzhen Lv | Wenbo Yang | Qiang Zhang | Jiechao Liu | Zhonggao Jiao
Source: Foods (article, 2025-12-25)
Field: Materials Science — Biomaterials

A Pectin-Based Active Coating for Preservation of Fresh-Cut Apples: Incorporated with Luteolin and ε-Polylysine for Enhanced Performance Functionalized edible coatings represent a promising strategy to mitigate postharvest losses in fresh and fresh-cut fruits. This study developed a novel, ternary active coating by integrating pectin with a cationic antimicrobial polypeptide (ε-polylysine) and a hydrophobic plant flavonoid (luteolin). The resulting composite film demonstrated transformative improvements in hydrophobicity, antioxidant, and antimicrobial activities as compared with conventional pectin-based films. Specially, the ternary composite film exhibited enhanced barrier performance, reducing water vapor, oxygen and carbon dioxide permeability by 49.1%, 68.6%, and 26.5%, respectively. When applied to fresh-cut apples, the coating effectively suppressed the browning and microbial proliferation while maintaining the hardness, total phenols and flavonoids, total soluble solids, and titratable acids over a 12-day refrigerated storage period. Comprehensive characterization via Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and molecular docking simulations revealed that these superior functionalities originate from synergistic electrostatic interactions and hydrogen-bonding networks within the ternary matrix. This work provides a practical strategy for designing high-performance, plant-based coatings to reduce food waste and improve the quality of fresh-cut produce. Active packaging ; Fourier transform infrared spectroscopy ; Coating ; Ternary operation ; Browning ; Antimicrobial ; Phenol ; Pectin ; Cationic polymerization Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Biopolymer Synthesis and Applications
Authors: Kuppu Sakthi Velu | M. Aslam | Ramachandran Srinivasan | Prathap Somu | Sonaimuthu Mohandoss
Source: Polymers (article, 2025-05-20)
Field: Materials Science — Biomaterials

Flufenamic Acid-Loaded Electrospun Nanofibers Based on Chitosan/Poly(vinyl alcohol) Polymeric Composites for Drug Delivery in Biomedical Applications Nanostructured drug-delivery systems with enhanced therapeutic potential have gained attention in biomedical applications. Here, flufenamic acid (FFA)-loaded chitosan/poly(vinyl alcohol) (CHS/PVA; CSPA)-based electrospun nanofibers were fabricated and characterized for antibacterial, anticancer, and antioxidant activities. The FFA-loaded CSPA (FCSPA) nanofibers were characterized by scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction (XRD), and differential scanning calorimetry to evaluate their formation process, functional group interactions, and crystallinity. Notably, the average diameter of FCSPA nanofibers decreased with increasing CSPA contents (CSPA-1 to CSPA-3), indicating that FFA addition to CSPA-3 significantly decreased its diameter. Additionally, XRD confirmed the dispersion of FFA within the CSPA amorphous matrix, enhancing drug stability. FCSPA nanofibers exhibited a high swelling ratio (significantly higher than that of the CSPA samples). Biodegradation studies revealed that FCSPA exhibited accelerated weight loss after 72 h, indicating its improved degradation compared with those of other formulations. Furthermore, it exhibited a significantly high drug-encapsulation efficiency, ensuring sustained release. FCSPA nanofibers exhibited excellent antibacterial activity, inhibiting <i>Staphylococcus aureus</i> and <i>Escherichia coli</i>. Regarding anticancer activity, FCSPA decreased HCT-116 cell viability, highlighting its controlled drug-delivery potential. Moreover, FCSPA demonstrated superior antioxidation, scavenging DPPH free radicals. These findings highlight FCSPA nanofibers as multifunctional platforms with wound-healing, drug-delivery, and tissue-engineering potential. Nanofiber ; Vinyl alcohol ; Differential scanning calorimetry ; Crystallinity ; Materials science ; Chitosan ; Nuclear chemistry ; Drug delivery ; Electrospinning ; Fourier transform infrared spectroscopy ; Scanning electron microscope ; Chemical engineering ; Polymer chemistry ; Polymer ; Chemistry ; Organic chemistry ; Nanotechnology ; Composite material Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Bujar H. Durmishi | Arbana Durmishi | Agim Shabani
Source: International Journal of Chemistry & Material Sciences (article, 2025-02-25)
Field: Chemistry — Analytical Chemistry

THE ROLE OF INSTRUMENTAL METHODS IN CHEMICAL ANALYSIS FOR ENVIRONMENTAL PROTECTION The increasing concern over environmental degradation and the necessity for sustainable development highlight the critical role of instrumental methods of chemical analysis in protecting the environment. This review explores various instrumental techniques, including spectrometry, chromatography, and electrochemical methods, and their applications in monitoring and mitigating environmental pollutants. These advanced analytical tools enable accurate identification and quantification of hazardous substances in air, water, and soil, enhancing our ability to assess environmental quality. GC‒MS and HPLC are essential for detecting organic pollutants, whereas AAS is crucial for measuring metal concentrations in environmental samples. The integration of these techniques into regulatory frameworks facilitates effective compliance monitoring and the enforcement of environmental standards. Furthermore, portable instruments have transformed field analysis, allowing real-time monitoring and rapid responses to contamination events. This article underscores the importance of these instrumental methods in fostering collaboration among chemists, environmental scientists, and policymakers to support informed decision-making. In conclusion, instrumental methods of chemical analysis are vital for achieving a cleaner, healthier environment and promoting sustainable practices that safeguard natural resources for future generations. Biochemical engineering ; Risk analysis (engineering) ; Environmental science ; Computer science ; Business ; Engineering Analytical chemistry methods development ; Water Quality Monitoring and Analysis ; Pesticide Residue Analysis and Safety
Authors: Philipp Bräuer | László Tirián | Fränze Müller | Karl Mechtler | Manuel Matzinger
Source: Communications Chemistry (article, 2025-08-13)
Field: Chemistry — Spectroscopy

In vivo crosslinking and effective 2D enrichment for proteome wide interactome studies Cross-linking mass spectrometry has evolved as a powerful technique to study protein-protein interactions and to provide structural information. Low reaction efficiencies, and complex matrices lead to challenging system wide crosslink analysis. We improved and streamlined an Azide-A-DSBSO based in vivo crosslinking workflow employing two orthogonal effective enrichment steps: Affinity enrichment and size exclusion chromatography (SEC). Combined, they allow an effective enrichment of DSBSO containing peptides and remove the background of linear as well as mono-linked peptides. We found that the analysis of a single SEC fraction is effective to yield ~90% of all crosslinks, which is important whenever measurement time is limited, and sample throughput is crucial. Our workflow resulted in more than 5000 crosslinks from K562 cells and generated a comprehensive PPI network. From 393 PPI found within the nucleus, 56 are novel. We further show, that by applying DSBSO to nuclear extracts we yield more crosslinks on lower abundant proteins and showcase this on the DEAD-box RNA helicase DDX39B which is predominantly expressed in the nucleus. Our data indicates that DDX39B might be present in monomeric and dimeric forms together with DDX39A within the nuclear extracts analyzed. Interactome ; Chemistry ; Proteome ; Mass spectrometry ; Yield (engineering) ; In vivo ; Computational biology ; Nucleus ; Chromatography ; Biophysics ; Combinatorial chemistry ; Biochemistry ; Biology ; Materials science ; Cell biology ; Genetics Advanced Proteomics Techniques and Applications ; Microbial Metabolic Engineering and Bioproduction ; Mass Spectrometry Techniques and Applications
Authors: Hanxu Ma | Shunda Qiao | Ying He | Yufei Ma
Source: Sensors (article, 2025-02-05)
Field: Chemistry — Spectroscopy

A Highly Sensitive Light-Induced Thermoelastic Spectroscopy Sensor Using a Charge Amplifier to Improve the Signal-to-Noise Ratio A highly sensitive light-induced thermoelastic spectroscopy (LITES) sensor employing a charge amplifier (CA) is reported for the first time in this invited paper. CA has the merits of high input impedance and strong anti-interference ability. The usually used transimpedance amplifier (TA) and voltage amplifier (VA) were also studied under the same conditions for comparison. A standard commercial quartz tuning fork (QTF) with a resonant frequency of approximately 32.76 kHz was used as the photothermal signal transducer. Methane (CH<sub>4</sub>) was used as the target gas in these sensors for performance verification. Compared to the TA-LITES sensor and VA-LITES sensor, the reported CA-LITES sensor shows improvements of 1.83 times and 5.28 times in the minimum detection limit (MDL), respectively. When compared to the LITES sensor without an amplifier (WA-LITES), the MDL has a 19.96-fold improvement. After further optimizing the gain of the CA, the MDL of the CA-LITES sensor was calculated as 2.42 ppm, which further improved the performance of the MDL by 30.3 times compared to the WA-LITES. Additionally, long-term stability is analyzed using Allan deviation analysis. When the average time of the sensor system is increased to 50 s, the MDL of the CA-LITES sensor system can be improved to 0.58 ppm. Amplifier ; Transimpedance amplifier ; Materials science ; SIGNAL (programming language) ; Detection limit ; Analytical Chemistry (journal) ; Optoelectronics ; Chemistry ; Differential amplifier ; Computer science ; CMOS Spectroscopy and Laser Applications ; Thermography and Photoacoustic Techniques ; Calibration and Measurement Techniques
Authors: Y T Dharanendra | Jamaluddin Hindi | B M Gurumurthy | K Muralishwara
Source: Scientific Reports (article, 2025-10-15)
Field: Materials Science — Polymers and Plastics

Influence of alkali treatment in enhancing crystallinity and breaking force of pineapple leaf fiber The study investigates the effect of alkali treatment on pineapple leaf fiber (PALF) woven mats. The woven mat was chemically treated with varied concentrations (3, 6, and 9% w/v) of sodium hydroxide (NaOH) solutions for different exposure times (30, 60, and 90 min), making a total of 9 experiments. The structural, morphological, and chemical properties of untreated and alkali-treated specimens were investigated by using X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), and Fourier Transform Infrared Spectroscopy (FTIR) respectively. The mechanical property was assessed through the breaking force analysis. The XRD result indicated that the fiber mat treated with NaOH of 6% w/v concentration exposed to 30 min yields a crystallinity index (CI) of 63.95% and a crystallite size (CS) of 7.05 nm. The FTIR analysis helped to identify chemically active groups involved in PALF and the characteristic absorption peaks associated with partial and complete removal of wax and other impurities. SEM results quantitatively indicated the elimination of amorphous components from the surfaces. The specimen with the highest CI of 63.95% exhibited the maximum breaking force of 356.92 N. The results indicate that the increase in CI and CS not only improves the mechanical properties but also helps in stronger interfacial bonding in polymer composite applications. Crystallinity ; Fourier transform infrared spectroscopy ; Sodium hydroxide ; Scanning electron microscope ; Crystallite ; Fiber ; Composite number ; Alkali metal Natural Fiber Reinforced Composites ; Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging
Authors: László Mucsi | Dorottya Litkey-Kovács | Krisztián Bonus | Nizom Farmonov | Ali Elgendy | Lutfi Aji | Márkó Sóti
Source: Remote Sensing (article, 2025-10-13)
Field: Chemistry — Analytical Chemistry

Assessment of the Effectiveness of Spectral Indices Derived from EnMAP Hyperspectral Imageries Using Machine Learning and Deep Learning Models for Winter Wheat Yield Prediction Accurate and timely crop yield estimation is essential for effective agricultural management and global food security, particularly for winter wheat. This study aimed to assess the effectiveness of EnMAP hyperspectral imagery in combination with machine learning and deep learning models for winter wheat yield prediction in Hungary. Using EnMAP images from February and May 2023, along with ground truth yield data from four fields, we derived 10 distinct vegetation indices. Random Forest, Gradient Boosting, and Multilayer Perceptron algorithms were employed, and model performance was evaluated using Mean Absolute Error (MAE) and Coefficient of Determination (R2) values. The results consistently demonstrated that integrating multi-temporal data significantly enhanced predictive accuracy, with the MLP model achieving an R2 of 0.79 and an MAE of 0.27, notably outperforming single-date predictions. Shortwave infrared (SWIR) indices were particularly critical for early-season yield estimations. This research highlights the substantial potential of hyperspectral data and advanced machine learning techniques in precision agriculture, emphasizing the promising role of future missions such as CHIME in further refining and expanding yield estimation capabilities. Hyperspectral imaging ; Multilayer perceptron ; Ground truth ; Deep learning ; Artificial neural network ; Yield (engineering) ; Support vector machine ; Predictive modelling Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Smart Agriculture and AI
Authors: Fengting Huang | Xin Cai
Source: Scientific Reports (article, 2025-09-01)
Field: Chemistry — Spectroscopy

Dual-response fluorescent switching sensor for sequential detection of Fe3+ and vitamin C in hawthorn We developed a dual-mode fluorescence sensor based on 4,4'-stilbenedicarboxylic acid (H<sub>2</sub>SDC) for the sequential detection of iron ions (Fe<sup>3+</sup>) and vitamin C (VC) in hawthorn (genus Crataegus), a key traditional Chinese medicine (TCM). By leveraging the aggregation-induced emission (AIE) properties of H<sub>2</sub>SDC, the sensor quantifies Fe<sup>3+</sup> quantification via fluorescence quenching ("turn-off") and subsequently detects VC through Fe<sup>3+</sup> reduction-triggered signal recovery ("turn-on"). This label-free strategy demonstrates high sensitivity, with linear ranges of 5.0-80.0 μmol L<sup>-1</sup> (Fe<sup>3+</sup>) and 5.0-40.0 μmol L<sup>-1</sup> (VC) and detection limits of 0.200 and 0.132 μmol L<sup>-1</sup>, respectively. Real-sample validation in Hawthorn matrices revealed excellent accuracy (spiked recoveries: 98.5-101.7% for Fe<sup>3+</sup>; 97.7-103.0% for VC) and reproducibility (RSD < 3.9%, n = 3). The platform integrates smartphone-assisted analysis to leverage concentration-dependent fluorescence transitions, offering potential for field-deployable threshold screening. As the first AIE-based sensor enabling sequential Fe<sup>3+</sup>/VC detection in herbal medicines, this work provides a rapid, cost-effective alternative to conventional instrumentation (e.g., HPLC/ICP-MS), supporting advancement of quality control for TCM modernization. Fluorescence ; Dual (grammatical number) ; Vitamin ; Computer science ; Computational biology ; Chemistry ; Biology ; Biochemistry ; Physics Molecular Sensors and Ion Detection ; Medicinal Plants and Neuroprotection ; Electrochemical sensors and biosensors
Authors: Yuxin Tan | Bin Zhao | Dao-Fu Yuan | Fan Li | Shanshan Yu | Mengda Jin | Yu Zhang | Chang Luo | Wentao Chen | Tao Wang | Jingchuan Zhu | Ziwei Wang | Tiangang Yang | Shu Liu | Uwe Manthe | Xingan Wang | Dong H. Zhang | Xueming Yang
Source: Nature Communications (article, 2025-07-01)
Field: Chemistry — Spectroscopy

Revealing umbrella bending as a reporter mode in the D+CH4 reaction How the non-reacting moiety of a molecule influences a polyatomic reaction has been a topic of much research interest. Here we present a comprehensive investigation of the D + CH<sub>4</sub> → HD + CH<sub>3</sub> reaction, a benchmark polyatomic elementary reaction with CH<sub>3</sub> as the non-reacting moiety, employing a high-resolution crossed molecular beams apparatus and an accurate seven-dimensional wave packet method. An interesting angular distribution of the CH<sub>3</sub>(v' = 1) product umbrella bending vibrational state is observed to scatter more in the sideways direction than the CH<sub>3</sub>(v' = 0) one. By monitoring the wave functions on a dividing surface in the transition state region, the CH<sub>3</sub> umbrella bending mode is established as a reporter mode that faithfully reveals how the D atom dynamically approaches CH<sub>4</sub> at different total angular momenta or impact parameters. This discovery of the reporter mode provides an opportunity for the detailed study of polyatomic reaction dynamics. Bending ; Computer science ; Computational biology ; Biology ; Materials science ; Composite material Molecular Spectroscopy and Structure ; Advanced Chemical Physics Studies ; Quantum, superfluid, helium dynamics