jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiang Han | Wenwen Wu | Shaoxuan Wang | Meili Du | Fuxin Chen
Source: ChemistrySelect (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Phenylalanine‐Doped Orange Peel‐Derived N‐CDs: Elucidating the Quenching Mechanism of Fe <sup>3+</sup> and Their Application in Cellular Imaging ABSTRACT In this study, we employed orange peel as a carbon source and phenylalanine as a nitrogen source, leading to the successful development of an economical and environmentally friendly approach for synthesizing fluorescent nitrogen‐doped carbon dots (N‐CDs) via a one‐step hydrothermal method. The morphology of the prepared N‐CDs was characterized using TEM, XPS, Raman, XRD, and FT‐IR techniques. The results indicate that N‐CDs exhibit a spherical structure with an average diameter of approximately 2.28 nm and are abundant in oxygen and nitrogen functional groups. When exposed to ultraviolet light, N‐CDs exhibit strong blue fluorescence with a peak emission wavelength at 414 nm. The fluorescence quantum yield is as high as 14.2%. Meanwhile, the fluorescence of N‐CDs could be selectively quenched by Fe 3+ , showing a linear correlation with Fe 3+ concentrations ranging from 66 to 300 µM and achieving a minimum detection limit of 0.42 µM. It is noteworthy that N‐CDs demonstrate excellent biocompatibility and low toxicity and have been successfully utilized for the detection of Fe 3+ in A549 cells. In conclusion, these fluorescent N‐CDs exhibit the potential to serve as highly sensitive probes for the detection of Fe 3+ ions in biological systems. Fluorescence ; Biocompatibility ; Quantum yield ; Detection limit ; Biological imaging ; Nitrogen ; Quenching (fluorescence) ; Ion Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications
Authors: Ramzi Hadj Lajimi | Khalil Hajlaoui | Loghman Mostafa | Shivan Ismael Abdullah | M. Shaban | Husam Rajab | Walid Aich | Rashid Khan
Source: Scientific Reports (article, 2026-03-26)
Field: Materials Science — Materials Chemistry

Nonlinear vibration behavior of self-sustaining CNT nanobeams under thermo-magnetic fields: surface energy insights for advanced sports applications This research examines the nonlinear dynamics of carbon nanotube-based nanobeams subjected to harmonic forcing, aiming to advance the design of high-performance athletic gear. The analysis accounts for geometric nonlinearities, damping from a viscoelastic substrate, and surface effects essential to creating lightweight yet robust components for items such as tennis rackets, golf clubs, and protective equipment. Given the elevated surface-to-volume ratio in nanomaterials, the study evaluates surface elasticity and residual stresses to improve shock absorption and energy dissipation. Equations of motion are formulated based on Euler-Bernoulli beam theory, discretized through the Galerkin approach employing trigonometric modes, and resolved via the method of multiple scales. Critical factors, including viscoelastic damping factors, crystal directions ([100] and [111]), and nonlinear geometry, are assessed for their impact on the primary resonance curve. Findings reveal that strategic adjustment of these variables can profoundly modify the frequency-amplitude behavior, allowing customized rigidity and attenuation suited to sporting needs. This work establishes a basis for engineering advanced nanomaterials in sports, harnessing nonlinear vibrations to enhance functionality, longevity, and user protection. Viscoelasticity ; Nonlinear system ; Vibration ; Galerkin method ; Elasticity (physics) ; Jump ; Equations of motion ; Rigidity (electromagnetism) ; Attenuation Nonlocal and gradient elasticity in micro/nano structures ; Mechanical and Optical Resonators ; Vibration Control and Rheological Fluids
Authors: Kinfung Ngan | Yeeun Choi | Chun-Chieh Chang | Dongyeon Daniel Kang | Shuo Sun
Source: ArXiv.org (article, 2026-01-21)
Field: Materials Science — Materials Chemistry

Self-Aligned Heterogeneous Quantum Photonic Integration Integrated quantum photonics holds significant promise for scalable photonic quantum information processing, quantum repeaters, and quantum networks, but its development is hindered by the mismatch between materials hosting high-quality quantum emitters and those compatible with mature photonic technologies. Heterogeneous integration offers a potential solution to this challenge, yet practical implementations have been limited by inevitable insertion losses at material interfaces. Here, we present a self-aligned heterogeneous quantum photonic integration approach that can deterministically achieve near-unity coupling efficiency at the interface. To showcase our approach, we demonstrate Purcell enhancement of a silicon vacancy (SiV) center in diamond induced by a heterogeneous photonic crystal cavity defined by titanium dioxide (TiO2), as well as optical spin control and readout via a TiO2 photonic circuit. We further show that, when combined with inverse photonic design, our approach enables efficient and broadband collection of single photons from a color center into a heterogeneous waveguide. Our approach is not restricted to SiV centers or TiO2; it can be broadly applied to integrate diverse solid-state quantum emitters with thin-film photonic devices where conformal deposition is possible. Together, these results establish a practical route to scalable quantum photonic integrated circuits that combine high-quality quantum emitters with technologically mature photonic platforms. Photonics ; Photonic crystal ; Quantum ; Photon ; Photonic integrated circuit ; Quantum sensor ; Quantum information science ; Quantum network Diamond and Carbon-based Materials Research ; Photonic and Optical Devices ; Photonic Crystals and Applications
Authors: wei tao | Bin Chen | Xinkun Yang | Bo Guo | Lingxin Chi | Yun Huang | R. Li | Jiayi Ren
Source: Research Square (preprint, 2026-04-02)
Field: Chemistry — Analytical Chemistry

A Deep Learning Model for Real-time Detection and Prediction of Moisture Content in the White Tea Withering Process Based on Near-Infrared Spectroscopy Interpretability ; Robustness (evolution) ; Water content ; Deep learning ; Moisture ; Redundancy (engineering) ; Pattern recognition (psychology) ; Hyperspectral imaging Spectroscopy and Chemometric Analyses ; Tea Polyphenols and Effects ; Smart Agriculture and AI
Authors: Aransa Griñén | Valeria Eltit | Francisca Durán-Osorio | Javiera Avilés | Flavia C. Zacconi | Edson Carcamo Noriega | Christopher D. Bahl | Ben A Meinen | César A Ramírez-Sarmiento
Source: bioRxiv (Cold Spring Harbor Laboratory) (article, 2026-02-27)
Field: Materials Science — Biomaterials

MPNN-guided redesign of PET hydrolases with enhanced catalytic activity below the PET glass transition temperature ABSTRACT The enzymatic depolymerization of polyethylene terephthalate (PET) presents a sustainable route for plastic circularity, but its industrial viability is disadvantaged by the need for thermostable enzymes that remain active under mild, energy-efficient conditions. While the Polyester Hydrolase Leipzig 7 (PHL7) rapidly degrades amorphous PET near its melting point, its poor protein expression, inactivation issues at temperatures above 60°C and slow depolymerization activity below 60°C limit its practical application. Here, we employ inverse folding models ProteinMPNN and LigandMPNN, informed by structural and evolutionary information, to redesign the sequence of PHL7, aiming to improve protein expression, thermal stability and activity. From 36 designed variants, we identified two (termed D5 and D11) with significantly enhanced PET depolymerization rates at lower temperatures, where enzymatic performance is typically limited. Remarkably, design D5 at 50°C achieved the same product yield as PHL7 at 70°C in 24 h PET microparticle degradation assays, with a shifted product profile favoring mono-(2-hydroxyethyl) terephthalate (MHET) over terephthalic acid (TPA). Molecular dynamics simulations revealed that the active redesigns exhibit enhanced local flexibility in key active site regions at 50°C, providing a mechanistic understanding of their low-temperature catalysis. This work demonstrates that computational sequence redesign can optimize biocatalysts for lower production costs and milder operational conditions. Furthermore, the D5 variant enables a potential route to resynthesize virgin PET via MHET polycondensation, offering an efficient circular economy pathway. Depolymerization ; Polyethylene terephthalate ; Terephthalic acid ; Polyester ; Cutinase ; Active site ; Thermal stability ; Evolvability ; Hydrolase biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Polymer crystallization and properties
Authors: Maria Francesca Carfora | Isabella Torcicollo
Source: Mathematics (article, 2026-04-01)
Field: Chemistry — Physical and Theoretical Chemistry

Special Issue: “Transport Phenomena Equations: Modelling and Applications” Transport theory has always been an area of widespread interest [...] Work (physics) ; Field (mathematics) ; Mathematical model ; Term (time) ; Identification (biology) Advanced Physical and Chemical Molecular Interactions ; Fluid dynamics and aerodynamics studies ; Lipid Membrane Structure and Behavior
Authors: Mahdi Faraji | Saham Mirzaei | Rasoul Rahnemaie | Shahriar Mahdavi | Alessandro Pistillo | Giuseppina Pennisi | Afsaneh Nematpour | Andrea Strano | Michele Consolini | Francesco Spinelli | Francesco Orsini
Source: Preprints.org (preprint, 2026-03-09)
Field: Chemistry — Analytical Chemistry

Rapid, Non-Destructive Prediction of Starch and Moisture Content in Saffron Corms Using Visible–Near-Infrared Spectroscopy Combined with Machine Learning The starch and moisture content of saffron corms are critical indicators of their flowering potential and yield. This study investigated the use of rapid, non-destructive vis-NIR reflectance spectroscopy measurement to assess these parameters. The measurements were used to develop predictive models through four machine learning algorithms (PLSR, RF, SVR, and GPR). Spectral data were obtained from 130 fresh corm samples. Wavelength analysis identified key starch-sensitive intervals (~930–1000 nm and ~1150–1220 nm) and a broad moisture-sensitive region (~900–1350 nm). Among the evaluated models, the partial least squares regression (PLSR) model demonstrated the optimal predictive performance for moisture (R² = 0.89, RMSE = 0.91%, RPD = 3.67, RPIQ = 4.91) and moderate performance for starch (R² = 0.68, RMSE = 26.29 mg g⁻¹, RPD = 1.87, RPIQ = 2.37, dry weight). These results demonstrated the viability of VIS-NIR spectroscopy as a viable, non-destructive tool for the pre-planting assessment of saffron corm quality. The method provides a practical foundation for corm screening and selection, with potential for further improvement in starch prediction through expanded calibrations and advanced modeling techniques. Corm ; Starch ; Partial least squares regression ; Moisture ; Water content ; Mean squared error ; Predictive modelling Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Saffron Plant Research Studies
Authors: Tomoya Uyama | Naoki KISHIMOTO | Yutaka Oya | Takahiro Murashima | Jun Koyanagi
Source: Polymers (article, 2026-03-31)
Field: Materials Science — Polymers and Plastics

Molecular Mechanism of Disulfide Bond Healing and Network Repair in Epoxy Vitrimers Revealed by Quantum Chemical and Molecular Dynamics Simulations We investigate covalent bond healing and mechanical property recovery in a cross-linked epoxy vitrimer containing disulfide bonds by combining quantum chemical calculations and molecular dynamics simulations. Quantum chemical calculations based on the GRRM method are first performed to explore energetically accessible post-scission recombination pathways of sulfur-centered radicals generated by disulfide bond cleavage. The resulting energetic ordering of bonding configurations is incorporated into molecular dynamics simulations through recombination rules derived from the quantum chemical calculations, allowing assessment of network repair and mechanical response. The results indicate that sulfur-centered radicals can undergo post-scission recombination via transient interactions with the aromatic ring prior to reformation of the disulfide bond. Tensile simulations further show that disulfide bonds preferentially break compared with other covalent bonds in the cross-linked network. Incorporation of the recombination pathways identified by the quantum chemical calculations leads to enhanced bond reformation and partial recovery of mechanical properties compared with a model assuming direct sulfur–sulfur recombination only. Covalent bond ; Molecular dynamics ; Radical ; Chemical bond ; Epoxy ; Quantum chemical ; Quantum ; Disulfide bond Polymer composites and self-healing ; Flame retardant materials and properties ; Polymer Nanocomposites and Properties
Authors: Jie Yin | Yuxuan Yang | Xiaoming Shi | Chunlin Zhao | Cong Lin | Hong Tao | Yang Zhang | David Boon Kiang Lim | Chao Jiang | Liming Lei | Yunfeng Song | Haijun Wu | Xiangdong Ding | Jun Sun | Fei Li | Jiagang Wu | Kui Yao
Source: Nature Communications (article, 2026-02-24)
Field: Materials Science — Materials Chemistry

Giant photostriction rate for remote opto-ultrasonic structural health monitoring Extending photocarrier lifetime, accelerating photostrictive strain buildup, and engaging more light-lattice interactions are essential to increase the bulk photostriction rate-a key figure of merit integrating strain magnitude and generation speed (typically < 10<sup>-3</sup> s<sup>-1</sup> in bulk ferroelectrics)-for efficient remote ultrasound generation. Here, we report non-poled terbium-doped (K,Na)NbO<sub>3</sub> ceramics, where Tb<sup>3+</sup> 4f-electron trapping prolongs photocarrier lifetime, enabling efficient carrier drift to domain walls for screening depolarization field. Hierarchical nanostructures-dense nanodomains (accelerating photostriction via coupled local bulk photovoltaic and converse piezoelectric effects) and subwavelength grains (more light-lattice interactions and enhancing collective photostriction)-yield an outstanding bulk photostriction rate of 6.41×10<sup>-1</sup> s<sup>-1</sup>, two orders above conventional bulk ferroelectrics. Non-poled ceramics avoid depoling issue, enabling robust and low power opto-ultrasonic transducers for reliable remote structural health monitoring. Our bulk ferroelectric design strategy enables cost-effective, high-performance opto-ultrasonic sensing technologies. Structural health monitoring ; Piezoelectricity ; Figure of merit ; Ferroelectricity ; Transducer ; Ceramic ; Converse Ferroelectric and Piezoelectric Materials ; Ultrasonics and Acoustic Wave Propagation ; Advanced Sensor and Energy Harvesting Materials
Authors: Gokul P Nair | Adarsh N | Agnesh M C | Abhijith CJ | Prajeesh Raj V
Source: INTERNATIONAL JOURNAL OF RESEARCH AND ANALYTICAL REVIEWS (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

FABRICATION AND TESTING OF HYBRID COMPOSITES REINFORCED WITH BASALT FLAX AND ARAMID FIBRES UGC-CARE list, New UGC-CARE Reference List, UGC CARE Journals, ugc care list of journal, ugc care list, UGC Approved list, list of ugc approved journal, ugc approved journal,IJRAR - international Research Journal,IJRAR.ORG,Ijrar.org, International Journal of Research and Analytical Reviews (IJRAR) , UGC Approved journal, ugc approved,ugc, ugc certify, publish free of cost, free publication, UGC and ISSN Approved , International Peer Reviewed, Open Access Journal , e ISSN 2348 –1269, Print ISSN 2349-5138, ISSN: 2348 –1269, Impact Factor : 5.75 , E- journal, Low Cost INR 500, Free Publication Publication ; Fabrication ; European union ; Continuing education Natural Fiber Reinforced Composites ; Flame retardant materials and properties ; Fiber-reinforced polymer composites
Authors: Icare Morrot-Woisard | Nicolas Vukadinovic | Philippe Pouliguen | Mauro Boero
Source: Solid State Sciences (article, 2026-03-03)
Field: Materials Science — Materials Chemistry

Structural and electromagnetic absorption properties of interacting carbon nanotubes based systems from first principles simulations Carbon nanotube ; Absorption (acoustics) ; Polymer ; Composite number ; Electronics ; Realization (probability) ; Electronic structure ; Optical properties of carbon nanotubes ; Absorption spectroscopy Carbon Nanotubes in Composites ; Electromagnetic wave absorption materials ; Smart Materials for Construction
Authors: Zhicai Yu | X. Z. Li | Ze Gu | Long Chen | Jianlin Su | Zixuan Cai | Xinyi Yu | Shilong Qin | Lei Zhang | Qian Ma | Jian Wei You | Tie Jun Cui
Source: Light Science & Applications (article, 2026-02-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multifunctional movable-type coding metasurface enabling reconfigurable diffractive neural networks Optical computing holds significant promise across diverse applications due to its low latency, power efficiency, and multidimensional processing capabilities. However, current diffraction neural networks (DNNs) generally lack reconfigurability, limiting the scalability of the optical computing systems. Inspired by movable-type printing technology, here we propose a movable-type coding metasurface to enable multiple functionalities such as electromagnetic (EM) computing, holography, and sensing. By cascading multiple layers of the proposed metasurfaces, we further develop a movable-type reconfigurable DNN (MT-RDNN). It can be seamlessly adapted from handwritten digit to letter classification tasks by replacing the meta-atoms in the last hidden metasurface layer. Moreover, a single-layer movable-type coding metasurface can be reconfigured to perform EM holography and multi-person vital sign sensing through modular meta-atom rearrangement. Featuring simple reconfiguration, high flexibility, and modular scalability, the proposed movable-type coding metasurface enables versatile and reusable EM computing, holography, and sensing applications. Modular design ; Reconfigurability ; Scalability ; Limiting ; Coding (social sciences) ; Holography ; Artificial neural network ; Optical computing Metamaterials and Metasurfaces Applications ; Neural Networks and Reservoir Computing ; Advanced Wireless Communication Technologies
Authors: Feng Qian | Jie-Juan Lu | De‐Long Guan | Jing Song | Fuzhi Lu
Source: Processes (article, 2026-01-30)
Field: Materials Science — Biomaterials

Data-Driven Optimization of Cellulase-Assisted Extraction of Flavonoids and Chlorophyll from Silkworm Excrement Guangxi, one of China’s dominant sericulture regions, generates substantial silkworm excrement (SE) annually, yet most remains underutilized. This study optimized cellulase-assisted ethanol extraction of flavonoids and chlorophyll from silkworm frass. Systematic experimentation (n = 31) revealed that extraction temperature exerted dominant influence on both contents (r = 0.54 and 0.37 for chlorophyll and flavonoids, respectively), while the two contents exhibited near-zero correlation (r = 0.06). An XGBoost model achieved R2 = 0.9146 for flavonoid prediction; SHAP analysis identified a critical temperature threshold (~40 °C). Monte Carlo simulation (n = 10,000) constructed a Pareto frontier for multi-objective optimization. The optimized condition (9% enzyme, 50 °C) achieved chlorophyll and flavonoid contents of 1.13 and 6.42 mg/g, respectively. These findings demonstrate that sericulture waste can serve as a biorefinery feedstock and that interpretable machine learning can navigate multi-objective extraction challenges under data constraints. Flavonoid ; Extraction (chemistry) ; Biorefinery ; Chlorophyll ; Sericulture ; Raw material Silk-based biomaterials and applications ; Silkworms and Sericulture Research ; Fungal Biology and Applications
Authors: W. N. Lan | Hongjie Chen | Bingying Zou | Qingyuan Yi | Xia Lin | Junrong Xu | Tianying Lei | George Zhang | Xinyuan Chen | Ping Wang | Wenjin Yu
Source: Frontiers in Plant Science (article, 2026-03-09)
Field: Chemistry — Spectroscopy

A non-destructive plant screening method for improving sample uniformity in horticultural crops based on a hydrogen peroxide fluorescent probe These results demonstrate that the LWS probe enables H<sub>2</sub>O<sub>2</sub> detection and, in combination with the IVIS in vivo imaging system, can screen individual plants differing in stress responses more effectively than other sensors. This non-destructive approach preserves the structural integrity of plant samples, enabling follow-up physiological, biochemical, and genomic analyses on the same specimens. This method provides a reliable prescreening platform for investigating plant stress responses at the biological level. Hydrogen peroxide ; Fluorescence ; Detection limit ; Biocompatibility ; Rootstock ; Analytical Chemistry (journal) ; Grafting ; In vivo Molecular Sensors and Ion Detection ; Sulfur Compounds in Biology ; Carbon and Quantum Dots Applications
Authors: Shelly Hafira Nikma | Budi Riza Putra | Mohamad Rafi | Eti Rohaeti | Munawar Khalil | Wulan Tri Wahyuni
Source: Chemosensors (article, 2026-04-01)
Field: Chemistry — Analytical Chemistry

Voltammetric Fingerprinting and Chemometrics: A Rapid and Robust Platform for Ground Clove Bud Authentication and Adulteration Detection Ground clove bud adulteration with cheaper materials, such as clove stem and soil, poses a significant threat to spice quality and consumer trust. This study introduces a novel, alternative analytical method for the authentication and detection of adulteration in ground clove bud samples. The approach combines voltammetric fingerprinting using a multi-walled carbon nanotube-modified electrode with robust chemometric analysis. Cyclic voltammetry of clove bud samples revealed anodic peaks above +0.5 V and a smaller cathodic peak between +0.5 and −0.3 V vs. Ag/AgCl, suggesting the presence of electroactive compounds. Voltammograms were obtained for authentic clove bud samples sourced from three major Indonesian production regions (South Sulawesi, North Maluku, and East Java), showing varying redox peak intensities. Chemometric analysis, specifically Partial Least Squares Discriminant Analysis (PLS-DA), was successfully employed to differentiate clove bud samples by geographical origin, and Principal Component Analysis (PCA) was used to discriminate authentic clove bud samples from adulterants. Furthermore, Partial Least Squares Regression (PLSR) was utilized to quantify adulteration levels, predicting adulterant concentration (10–100% w/w) using electrochemical signal intensities. The PLSR method exhibited strong linearity between observed and predicted values, confirming its robustness. This proposed method offers a simple, portable, and practical approach for the quality control of ground clove bud. The combination of rapid voltammetric measurement and chemometric modelling provides a valuable and practical tool to prevent fraud and ensure the integrity of the spice trade. Partial least squares regression ; Adulterant ; Pattern recognition (psychology) ; Authentication (law) ; Linear discriminant analysis ; Principal component analysis Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Date Palm Research Studies