jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sagnik Banerjee | Ishani Ghosh | C. Santini | Fabio Mangini | Rocco Citroni | Fabrizio Frezza
Source: Sensors (article, 2025-01-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

All-Metal Metamaterial-Based Sensor with Novel Geometry and Enhanced Sensing Capability at Terahertz Frequency This research proposes an all-metal metamaterial-based absorber with a novel geometry capable of refractive index sensing in the terahertz (THz) range. The structure consists of four concentric diamond-shaped gold resonators on the top of a gold metal plate; the resonators increase in height by 2 µm moving from the outer to the inner resonators, making the design distinctive. This novel configuration has played a very significant role in achieving multiple ultra-narrow resonant absorption peaks that produce very high sensitivity when employed as a refractive index sensor. Numerical simulations demonstrate that it can achieve six significant ultra-narrow absorption peaks within the frequency range of 5 to 8 THz. The sensor has a maximum absorptivity of 99.98% at 6.97 THz. The proposed absorber also produces very high-quality factors at each resonance. The average sensitivity is 7.57/Refractive Index Unit (THz/RIU), which is significantly high when compared to the current state of the art. This high sensitivity is instrumental in detecting smaller traces of samples that have very correlated refractive indices, like several harmful gases. Hence, the proposed metamaterial-based sensor can be used as a potential gas detector at terahertz frequency. Furthermore, the structure proves to be polarization-insensitive and produces a stable absorption response when the angle of incidence is increased up to 60°. At terahertz wavelength, the proposed design can be used for any value of the aforementioned angles, targeting THz spectroscopy-based biomolecular fingerprint detection and energy harvesting applications. Terahertz radiation ; Metamaterial ; Materials science ; Refractive index ; Resonator ; Metamaterial absorber ; Optics ; Optoelectronics ; Absorption (acoustics) ; Terahertz spectroscopy and technology ; Detector ; Sensitivity (control systems) ; Tunable metamaterials ; Physics ; Electronic engineering Metamaterials and Metasurfaces Applications ; Terahertz technology and applications ; Plasmonic and Surface Plasmon Research
Authors: Samantha N Fischer | Erin R Claussen | Savvas Kourtis | Sara Sdelci | Sandra Orchard | Henning Hermjakob | Georg Kustatscher | Kevin Drew
Source: Molecular Systems Biology (article, 2025-05-27)
Field: Chemistry — Spectroscopy

hu.MAP3.0: atlas of human protein complexes by integration of &gt;25,000 proteomic experiments Macromolecular protein complexes carry out most cellular functions. Unfortunately, we lack the subunit composition for many human protein complexes. To address this gap we integrated >25,000 mass spectrometry experiments using a machine learning approach to identify >15,000 human protein complexes. We show our map of protein complexes is highly accurate and more comprehensive than previous maps, placing nearly 70% of human proteins into their physical contexts. We globally characterize our complexes using mass spectrometry based protein covariation data (ProteomeHD.2) and identify covarying complexes suggesting common functional associations. hu.MAP3.0 generates testable functional hypotheses for 472 uncharacterized proteins which we support using AlphaFold modeling. Additionally, we use AlphaFold modeling to identify 5871 mutually exclusive proteins in hu.MAP3.0 complexes suggesting complexes serve different functional roles depending on their subunit composition. We identify expression as the primary way cells and organisms relieve the conflict of mutually exclusive subunits. Finally, we import our complexes to EMBL-EBI's Complex Portal ( https://www.ebi.ac.uk/complexportal/home ) and provide complexes through our hu.MAP3.0 web interface ( https://humap3.proteincomplexes.org/ ). We expect our resource to be highly impactful to the broader research community. Biology ; Protein subunit ; Computational biology ; Human Protein Atlas ; Proteomics ; Human proteins ; Atlas (anatomy) ; Protein–protein interaction ; Biochemistry ; Bioinformatics ; Protein expression ; Gene Advanced Proteomics Techniques and Applications ; Bioinformatics and Genomic Networks ; Enzyme Structure and Function
Authors: Yang Yu | Siqi Wang | Jinlong Duan | Wei Zhang | Qifu Wang | Dandan Zhai | Qin Yao | Zhiqing Yang | Peng Li
Source: Industrial Crops and Products (article, 2025-05-29)
Field: Chemistry — Analytical Chemistry

NIRDiffusion: A diffusion-model-based framework for enhanced quality assessment of industrial plant materials Soybean and American ginseng, as industrial plant-derived materials, require precise quantification of soluble proteins and ginsenosides due to their importance in industrial applications such as bio-based materials and pharmaceutical ingredient production. Near-infrared (NIR) spectroscopy, combined with advanced AI models, offers a rapid, non-invasive, and cost-effective approach for evaluating the quality of industrial plant-derived materials. However, its application is limited by challenges such as high spectral dimensionality, environmental noise, and small labeled datasets. To address these issues, this study proposes a diffusion-model-based representation learning framework, NIRDiffusion, which utilizes a probabilistic, iterative process of perturbation and reversal to capture multi-scale non-linear spectral latent features while effectively suppressing noise. The proposed NIRDiffusion combined with a 1D-CNN regression model achieves R 2 values of 0.973 and 0.949 in predicting water-soluble protein (WSP) in soybean seeds and total ginsenosides (TG) in American ginseng, respectively. Comparative analyses reveal significant prediction error reductions of at least 17.89 % (WSP) and 11.21 % (TG) relative to popular unsupervised feature extraction and three self-supervised learning approaches. These results demonstrate that NIRDiffusion effectively captures discriminative features in NIR spectral data, enabling accurate and scalable quality assessment of plant-derived materials through integration with predictive modeling. • NIRDiffusion utilizes diffusion models for robust NIR spectral representation. • Multi-scale feature extraction enhances prediction accuracy for complex spectra. • Framework offers scalable solutions for analyzing industrial plant materials. • Advances chemometric modeling for efficient NIR spectroscopy applications. Quality (philosophy) ; Diffusion ; Chemistry ; Environmental science ; Biochemical engineering ; Biological system ; Biotechnology ; Biology ; Engineering ; Physics ; Thermodynamics Spectroscopy and Chemometric Analyses
Authors: Jagpreet Singh | Monika Bhattu | Meenakshi Verma | Mikhaël Bechelany | Satinder Kaur Brar | Rajendrasinh Jadeja
Source: Nanomaterials (article, 2025-01-03)
Field: Materials Science — Materials Chemistry

Sustainable Valorization of Rice Straw into Biochar and Carbon Dots Using a Novel One-Pot Approach for Dual Applications in Detection and Removal of Lead Ions Lead (Pb) is a highly toxic heavy metal that causes significant health hazards and environmental damage. Thus, the detection and removal of Pb<sup>2+</sup> ions in freshwater sources are imperative for safeguarding public health and the environment. Moreover, the transformation of single resources into multiple high-value products is vital for achieving sustainable development goals (SDGs). In this regard, the present work focused on the preparation of two efficient materials, i.e., biochar (R-BC) and carbon dots (R-CDs) from a single resource (rice straw), via a novel approach by using extraction and hydrothermal process. The various microscopic and spectroscopy techniques confirmed the formation of porous structure and spherical morphology of R-BC and R-CDs, respectively. FTIR analysis confirmed the presence of hydroxyl (-OH), carboxyl (-COO) and amine (N-H) groups on the R-CDs' surface. The obtained blue luminescent R-CDs were employed as chemosensors for the detection of Pb<sup>2+</sup> ions. The sensor exhibited a strong linear correlation over a concentration range of 1 µM to 100 µM, with a limit of detection (LOD) of 0.11 µM. Furthermore, the BET analysis of R-BC indicated a surface area of 1.71 m<sup>2</sup>/g and a monolayer volume of 0.0081 cm<sup>3</sup>/g, supporting its adsorption potential for Pb<sup>2+</sup>. The R-BC showed excellent removal efficiency of 77.61%. The adsorption process followed the Langmuir isotherm model and second-order kinetics. Therefore, the dual use of rice straw-derived provides a cost-effective, environmentally friendly solution for Pb<sup>2+</sup> detection and remediation to accomplish the SDGs. Biochar ; Adsorption ; Langmuir adsorption model ; Detection limit ; BET theory ; Metal ions in aqueous solution ; Materials science ; Fourier transform infrared spectroscopy ; Rice straw ; Carbon fibers ; Monolayer ; Straw ; Chemical engineering ; Chemistry ; Nuclear chemistry ; Nanotechnology ; Metal ; Inorganic chemistry ; Pyrolysis ; Metallurgy ; Composite number ; Chromatography ; Organic chemistry ; Composite material Carbon and Quantum Dots Applications ; Mercury impact and mitigation studies ; Heavy Metal Exposure and Toxicity
Authors: Nidhi Sikri | Sandeep Kumar | Bunushree Behera | Jyotsana Mehta
Source: Frontiers in Nanotechnology (article, 2025-04-17)
Field: Materials Science — Materials Chemistry

Graphene oxide/layered double hydroxide composite as highly efficient and recyclable adsorbent for removal of ciprofloxacin from aqueous phase Antibiotics, although developed for curing bacterial infections, contaminate the environment, and their long-term unintentional exposure has detrimental effects on the environment, human health, and other organisms, leading to antibacterial resistance, genotoxicity, birth deformities, inhibition of cell proliferation, and reduction of photosynthetic activity. Therefore, there is a compelling need to remove antibiotic contaminants from water reservoirs, and nano-platforms are emerging as attractive platforms for environmental remediation. In this regard, a composite of graphene oxide (GO) with ZnAlNi layered double hydroxide (LDH) has been explored for highly efficient adsorptive removal of priority antibiotic, ciprofloxacin (CIP). The composite containing ZnAlNi-LDH with specific removal capability towards CIP and GO displaying high surface area for adsorption has been synthesized using the co-precipitation method followed by hydrothermal aging. The formed adsorbent has been structurally characterized using several analytical instrumentation techniques demonstrating its potential for antibiotic adsorption. The adsorption of CIP onto GO-ZnAlNi LDH has been studied by varying several parameters including contact time, pH, adsorbent, and adsorbate concentration. The composite demonstrated more than 80% removal of CIP at 1 mg/L initial concentration from the aqueous solution in 1 h with 10 mg/L adsorbent at pH 7. The kinetics of adsorption fits well with pseudo-first-order model, Elovich model and equilibrium adsorption capacity of 106.97 mg/g was obtained. The composite platform also exhibited high stability, regeneration, and reusability up to five cycles. Adsorption ; Composite number ; Hydroxide ; Aqueous solution ; Graphene ; Oxide ; Phase (matter) ; Chemical engineering ; Materials science ; Aqueous two-phase system ; Chemistry ; Inorganic chemistry ; Composite material ; Nanotechnology ; Organic chemistry ; Metallurgy Layered Double Hydroxides Synthesis and Applications ; Nanomaterials for catalytic reactions ; Covalent Organic Framework Applications
Authors: Josipa Dugeč | Ivana Škugor Rončević | Nives Vladislavić | Josip Radić | Maša Buljac | Marijo Buzuk
Source: Biosensors (review, 2025-02-05)
Field: Chemistry — Electrochemistry

The Interpretation of Carbon Nanotubes’ Electrochemistry: Electrocatalysis and Mass Transport Regime in the Apparent Promotion of Electron Transfer Carbon nanotubes (CNTs) are widely used in electrochemical sensors due to their significant impact on the electroanalytical signal. However, there remain significant doubts regarding the origin of the improved electroanalytical response observed in CNT-based sensors, particularly concerning the precise role of CNTs in these systems. In particular, the origin of the electrochemical response is controversial, as it may be due to either electrocatalytic or non-electrocatalytic processes. The latter implies that the electroanalytical response is mainly governed by the mass transport phenomena within the porous CNT layer. This article briefly reviews the several comprehensive models based on the role of porosity (diffusion in a 'thin-layer') on the electrochemical behavior as well as on the electrocatalytic properties of CNTs to resolve conflicts arising from misinterpretations of the electroanalytical response of CNT-based sensors. However, even though there are some explanations and conclusions on this topic, they seem to be valuable for specific electroactive species, the type of CNTs and/or electrode architecture, the electrode surface, etc. Accordingly, general theories and conclusions are not yet defined, so different approaches to this topic are still needed, since the main phenomenological effects responsible for the nature of the electrochemical response of the electrodes modified with CNTs need to be determined in a rational way. Carbon nanotube ; Electrocatalyst ; Electrochemistry ; Nanotechnology ; Electrode ; Mass transport ; Materials science ; Electron transfer ; Transport phenomena ; Chemistry ; Engineering physics ; Physics ; Organic chemistry ; Thermodynamics ; Physical chemistry Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Conducting polymers and applications
Authors: Junpeng Sun | Hai Yang | Jialong Shen | Haocheng Qi | Mei Sun | Yuhang Lou | Yu Yao | Xianhong Rui | Yu Shao | Xiaojun Wu | Yu Yan
Source: Energy & Environmental Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Incorporating a lithium-deficient layer and interfacial-confined catalysis enables the reversible redox of surface oxygen species in lithium-rich manganese-based oxides A lithium-deficient layer and RuO₂-confined catalysis array on LRMOs suppress oxygen release, reduce lattice strain, and enhance oxygen reduction kinetics for improved electrochemical performance. Lithium (medication) ; Manganese ; Redox ; Catalysis ; Oxygen ; Layer (electronics) ; Oxygen evolution ; Inorganic chemistry ; Materials science ; Chemical engineering ; Surface layer ; Chemistry ; Nanotechnology ; Electrochemistry ; Metallurgy ; Organic chemistry ; Physical chemistry ; Electrode Catalytic Processes in Materials Science ; Advancements in Battery Materials ; Advanced Battery Materials and Technologies
Authors: Lei Zeng | Chen‐Hao Guo | Chensen Li | Ziwei Deng | Yi Lü | Lin Lü | Peng Meng | Simei Sun | Zijie Qiu | Meng Li | Yu Xiong | Zheng Zhao | Chuan‐Feng Chen | Ben Zhong Tang
Source: Aggregate (article, 2025-06-13)
Field: Chemistry — Organic Chemistry

Carbon–Nitrogen Axial Chirality as a Novel Chiral Framework Design Strategy for Circularly Polarized Luminescence Materials ABSTRACT Circularly polarized luminescence (CPL) materials are essential for advanced optoelectronic applications, yet efficient chiral design strategies remain challenging. Axial chirality has been widely employed in the construction of CPL materials due to its unique rigid structure. However, the focus has been primarily on the derivatives of carbon–carbon axial chirality. We herein propose a strategy for constructing carbon–nitrogen (C─N) axially chiral molecular frameworks to fully exploit the excellent chromophoric properties of nitrogen‐containing heterocycles (such as carbazole). A pair of chiral emitters, ( S / R )‐AI‐2TCFC, was designed and synthesized, exhibiting an emission peak at 578 nm both in the toluene solution and in the neat film state. It possessed typical aggregation‐induced emission (AIE), thermally activated delayed fluorescence (TADF), and a luminescence dissymmetry factor ( g lum ) of 10 −3 , demonstrating its potential for high‐performance device applications. These materials were successfully applied in circularly polarized organic light‐emitting diodes (CP‐OLEDs), demonstrating promising electroluminescence performance. This innovative strategy not only expands the design toolbox for CPL materials but also paves the way for next‐generation high‐performance optoelectronic devices. Chirality (physics) ; Luminescence ; Circular polarization ; Materials science ; Nitrogen ; Carbon fibers ; Axial chirality ; Circular dichroism ; Nanotechnology ; Chemistry ; Optoelectronics ; Optics ; Crystallography ; Physics ; Enantioselective synthesis ; Organic chemistry ; Catalysis ; Composite material ; Quantum mechanics ; Chiral symmetry Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Advanced NMR Techniques and Applications
Authors: Ajay H. Bansode | Lifeng Yin | Ning Deng | Mahmoud Afrasi | Yiyi Zhu | Marvin Parasram
Source: Angewandte Chemie International Edition (article, 2025-01-07)
Field: Chemistry — Organic Chemistry

Accessing Azetidines through Magnesium‐Mediated Nitrogen Group Transfer from Iminoiodinane to Donor‐Acceptor Cyclopropanes Herein, we report a Lewis acid-mediated ring expansion of donor-acceptor cyclopropanes (DACs) to substituted azetidines via nucleophilic nitrogen group transfer from readily accessible iminoiodinane. This protocol operates under mild, transition-metal-free conditions, and showcases excellent chemoselectivity, along with broad functional group tolerance. We report for the first time that challenging alkyl donor-acceptor cyclopropanes can undergo ring expansion leading to aliphatic azetidines without relying on external oxidants or precious transition-metal catalysts. Mechanistically, the coordination of a magnesium (Mg)-Lewis acid to the DAC promotes nucleophilic ring opening with a putative Mg-amide species generated from the iminoiodinane under the reaction conditions to furnish the azetidine products. Chemistry ; Nucleophile ; Amide ; Lewis acids and bases ; Chemoselectivity ; Ring (chemistry) ; Magnesium ; Catalysis ; Acceptor ; Medicinal chemistry ; Leaving group ; Combinatorial chemistry ; Transition metal ; Stereochemistry ; Polymer chemistry ; Organic chemistry Cyclopropane Reaction Mechanisms ; Synthesis and Catalytic Reactions ; Catalytic C–H Functionalization Methods
Authors: Zhenyu Li | Guochao Jia | Zheng Su | Chen Zhu
Source: Research (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Nanozyme-Based Strategies against Bone Infection Nanozymes are a class of nanomaterials that exhibit catalytic functions analogous to those of natural enzymes. They demonstrate considerable promise in the biomedical field, particularly in the treatment of bone infections, due to their distinctive physicochemical properties and adjustable catalytic activities. Bone infections (e.g., periprosthetic infections and osteomyelitis) are infections that are challenging to treat clinically. Traditional treatments often encounter issues related to drug resistance and suboptimal anti-infection outcomes. The advent of nanozymes has brought with it a new avenue of hope for the treatment of bone infections. Medicine ; Intensive care medicine ; Computer science Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Advanced biosensing and bioanalysis techniques
Authors: Chunyan Gu | Gang Wang | Weihua Zhuang | Walter Hu | Xun He | Liang Zhang | Zhao Du | Xuemei Xu | Minggang Yin | Yongchao Yao | Xuping Sun
Source: Critical Reviews in Food Science and Nutrition (review, 2025-06-21)
Field: Chemistry — Analytical Chemistry

Artificial intelligence-enabled analysis methods and their applications in food chemistry Food chemistry is a science that studies the composition, properties, and changes of food at the chemical and molecular levels, as well as their relationships to human health. With the rapid advancement of artificial intelligence (AI) technology, the field of food chemistry has undergone significant transformation, and new development opportunities have emerged. AI provides efficient, precise, and intelligent solutions for food analysis. This review examines the integration of AI technologies with conventional analytical methodologies in food chemistry, focusing on recent advancements in their applications. It elaborates on AI-driven approaches in spectroscopic analysis, chromatography, mass spectrometry, and sensor technology, highlighting their transformative potential in food quality control, identification of bioactive constituents, contaminant detection, nutritional analysis, and novel ingredient design. Through specific case studies, the review demonstrates how AI enhances analytical efficiency and accuracy, providing innovative solutions for future research and practical applications in food chemistry. Chemistry ; Data science ; Computer science ; Food science ; Nanotechnology ; Materials science Spectroscopy and Chemometric Analyses ; Computational Drug Discovery Methods ; Metabolomics and Mass Spectrometry Studies
Authors: Savita Mehlawat | S. K. Panda | Neeraj Dhariwal | Amit Sanger | Ashwani Kumar
Source: ACS Applied Nano Materials (article, 2025-07-22)
Field: Materials Science — Materials Chemistry

Progress in 2D MXenes: Synthesis, Structural Properties, and Technological Applications Materials research and technology now have promising opportunities, thanks to the recent chemical exfoliation of layered MAX phase compounds to unique two-dimensional transition metal carbides and nitrides, or “MXenes.” To take advantage of the unique and remarkable features of this highly promising family of 2D materials for electrical and energy harvesting applications, this review highlights the efforts that have been undertaken to comprehend their physics and chemistry, emphasizing their unique layered structure and surface functionalization-based tunable characteristics. With advantages over conventional 2D materials regarding the properties such as conductivity, surface area, chemical stability, ease of production, compatibility, and biocompatibility, MXenes hold great potential for improving the functionality, robustness, and adaptability of Internet of Things (IoT) devices and artificial intelligence. The present review provides an in-depth overview of the various synthesis techniques for each type of MXene, their unique properties, and how they can be used in various application ranges. This review significantly summarizes past studies and updates thoroughly and presents the future scopes and challenges prevailing. The distinctiveness proposed in this perspective is found in its comprehensive approach, which highlights the enormous potential of MXenes for a variety of applications in sensors, energy storage, batteries, wastewater treatment, supercapacitors, and other fields. MXenes ; Nanotechnology ; Biochemical engineering ; Materials science ; Engineering MXene and MAX Phase Materials ; 2D Materials and Applications ; Advanced Memory and Neural Computing