jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shimon Bettan | Emil Bronstein | Hanuš Seiner | Petr Sedlák | Martin Koller | Doron Shilo | Eilon Faran
Source: Physical Review Materials (article, 2025-10-31)
Field: Materials Science — Biomaterials

Linking acoustic emission signals to deformation mechanisms in magnesium Understanding a material's behavior requires insight into how microscopic deformation mechanisms evolve, but identifying these processes at the level of individual microscopic events is a major challenge. Here, the authors present a physics-guided, data-driven spectral analysis of acoustic emission (AE) signals to classify individual deformation events in a magnesium single crystal. The analysis links AE frequency signatures to twinning and slip mechanisms and validates them through resonance ultrasound spectroscopy and modal calculations. Thus, the study achieves unsupervised classification of deformation events, uncovering the transition from twinning-dominant to slip-dominant behavior. This approach offers a new pathway for mechanism-specific monitoring of damage evolution. Acoustic emission ; Deformation (meteorology) ; Slip (aerodynamics) ; Magnesium ; Deformation mechanism ; Crystal twinning ; Modal ; Spectroscopy Magnesium Alloys: Properties and Applications ; Ultrasonics and Acoustic Wave Propagation ; High-pressure geophysics and materials
Authors: Ashutosh Sengar
Source: Preprints.org (preprint, 2025-02-11)
Field: Materials Science — Biomaterials

Advancements in Drug Delivery Systems: Targeting Strategies, Nanotechnology, and Vesicular Innovations Innovative drug delivery systems are revolutionizing contemporary pharmacotherapy with better bioavailability, controlled delivery, and better patient compliance. This review covers some advances in nanoparticle-based drug delivery against the background of liposomal and vesicular systems for precision therapeutics. This review further checks the oral formulation, including chewable, effervescent, and film-based delivery, against the advantageous ease of administration and the rapid onset of the drug's action. In addition, strategies of naso-pulmonary and antibiotic drug delivery are further described in terms of respiratory health and infection management in relation to nanocarrier-based formulations. Moreover, herbal therapeutics are incorporated as demonstrated with Tribulus terrestris in urolithiasis treatment, which in turn, actually merges traditional medicine delivery with modern drug delivery platforms. Based on clinical applications, advantages, and disadvantages, comparative analysis of nanocarriers including liposomes, polymeric nanoparticles, niosomes, and dendrimers has been presented. In the future, it will be all about the biodegradable AI-driven stimuli responsive nanocarrier supporting the precision of medicine and personalized care. This review provides insight into recent developments, challenges, and future directions in advanced drug delivery systems for developing more effective and patient-friendly therapeutic solutions. Nanotechnology ; Drug delivery ; Targeted drug delivery ; Engineering ; Business ; Materials science Nanoparticle-Based Drug Delivery
Authors: Kang Zheng | Shizhao Fan | Shang Tian | Sen Zhang | Mingyue Zhai | Kang Liu | Jiaqi Zhu
Source: Diamond and Related Materials (article, 2025-05-01)
Field: Materials Science — Materials Chemistry

Quantitative analysis of the uniformity of CVD diamond nucleation via Kullback-Leibler divergence Kullback–Leibler divergence ; Nucleation ; Divergence (linguistics) ; Diamond ; Materials science ; Nanotechnology ; Chemistry ; Statistical physics ; Analytical Chemistry (journal) ; Physics ; Mathematics ; Statistics ; Environmental chemistry ; Thermodynamics ; Composite material Diamond and Carbon-based Materials Research ; Ion-surface interactions and analysis ; Advanced Surface Polishing Techniques
Authors: Yutong Wang | Sihang Zhang | Qiyue Yin | Jing Wei | Jiawei Liu | Long Wu
Source: TrAC Trends in Analytical Chemistry (article, 2025-12-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

TMB-mediated catalytic SERS systems: Applications, innovations, and future prospects Raman scattering ; Raman spectroscopy ; Catalysis ; Substrate (aquarium) ; SIGNAL (programming language) Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Yu Fang | Xuefeng Bai | Xin Zhang | Jian‐Rong Li
Source: Journal of the American Chemical Society (article, 2025-11-04)
Field: Chemistry — Inorganic Chemistry

Data-Driven Discovery of Metal–Organic Frameworks for Sieving Separation of Quinary C5 Olefin Mixtures C5 olefins are widely used as chemical feedstocks for producing high-performance polymers and pharmaceuticals, and their separation requires complex and energy-intensive processes. Herein, we report the adsorptive separation of a quinary C5 mixture through the data-driven discovery of sieving sorbents. By systematically analyzing 1067 literature sources using large language models, a data set of 345 metal-organic frameworks (MOFs) and their corresponding sieving performance was established. This data set enabled the determination of effective pore sizes for MOFs, which subsequently guided the discovery of ZIF-8 as an exceptional sorbent capable of producing 99.99% pure isoprene from the C5 mixture. In a pilot-scale breakthrough experiment, 350 mL of high-purity isoprene was obtained by using 1.8 kg of shaped MOF. Extending this approach, three additional MOFs (Co-FA, Co(pz-NH<sub>2</sub>)Ni, and Co-gallate) were discovered for the separation of remaining four C5 components. Finally, integrating these four MOFs in a sequential separation process achieved complete isolation of all five C5 compounds (isoprene, 1-pentene, <i>cis</i>-2-pentene, <i>trans</i>-2-pentene, and <i>n</i>-pentane) with high purity and demonstrated remarkable cycling stability over consecutive operations. Quinary ; Isoprene ; Separation process ; Olefin fiber ; Sorbent ; Process (computing) ; Polymer Metal-Organic Frameworks: Synthesis and Applications ; Zeolite Catalysis and Synthesis ; Membrane Separation and Gas Transport
Authors: Harish Reddy C | Mohammad Rafiq Bhat | N. Sandhya | Nikita Kankanawadi | M N Chethan
Source: Journal of Experimental Agriculture International (article, 2025-08-12)
Field: Materials Science — Biomaterials

Precision Sericulture and Smart Technologies: Integrating IoT, AI and Automation for Silk Sustainability Precision sericulture represents a transformative shift in the silk industry, integrating digital innovations such as the Internet of Things (IoT), artificial intelligence (AI), robotics, and automation to modernize traditional practices. This review highlights the foundational principles, enabling technologies, and advanced innovations that define this emerging paradigm. Key applications include sensor-based environmental control, AI-enabled disease diagnostics, drone-assisted crop management, and blockchain-supported traceability systems. By improving resource use efficiency, minimizing human error, and enhancing productivity, these tools promote sustainable and climate-resilient silk production. Advanced materials such as nanotech-enhanced silk fibers and digital twin models further expand the industry's potential into high-value sectors like smart textiles and medical fabrics. Despite these advances, widespread adoption is hindered by challenges such as high initial costs, digital illiteracy, data fragmentation, and connectivity limitations. To overcome these barriers, inclusive strategies involving public–private partnerships, open-source technology, and localized training are essential. This paper also identifies research gaps in edge AI, biosensors, carbon accounting, and interoperability. Overall, precision sericulture offers a promising path toward inclusive rural development, climate adaptation, and global competitiveness in silk production. Engineering ; Sericulture ; Industry 4.0 ; Interoperability ; Computer science ; Engineering management ; Systems engineering Silk-based biomaterials and applications ; Silkworms and Sericulture Research ; Date Palm Research Studies
Authors: M. Vollmar | Simon P. Westrip | Sreenath Nair | Balakumaran Balasubramaniyan | Sameer Velankar | Lisa Jones | Peter Strickland
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-10-17)
Field: Materials Science — Materials Chemistry

Linking protein residues in literature and structure Abstract Protein structures are crucial in understanding function, mechanism and disease-causing variants of proteins within any living cell. A number of experimental techniques are employed by researchers to determine said structure. Through structure inspection in molecular viewers combined with supporting biochemical and biophysical experiments, scientists are able to identify a protein’s function, reaction mechanism and effects caused by sequence variation. These detailed findings supported by experimental results are documented and described in detail in scientific literature and by open sourcing the accompanying data. By writing a detailed report about the findings and providing evidence in additional files and complementary data formats it has become increasingly difficult for a reader, in particular a non-expert, to access the correct additional information and assess the validity of the drawn conclusion based on experimental results. It often requires a reader to resort to a number of different software packages to access the different data types. Here, we present a first-of-its-kind implementation of an artificial intelligence and text mining supported software tool that allows linking of text mentions of specific protein residues to their corresponding counterpart in the respective protein structure. An identified residue is highlighted in the publication text and upon interaction with the annotation, a molecule viewer displays the associated protein structures in the publication which contain said residue. The viewer is complemented by a display table that contains protein structure quality metrics for each occurrence of a residue. As such a reader can now explore a residue of interest they are currently assessing in a publication within its respective protein structure supported by its experimental evidence in a single view and application. Software ; Table (database) ; Mechanism (biology) ; Protein Data Bank ; Quality (philosophy) ; Protein structure Enzyme Structure and Function ; Protein Structure and Dynamics ; Genetics, Bioinformatics, and Biomedical Research
Authors: S. Patel | Harshada Kailas Patil | Harsh Patil | Mohit Sunil Pawar | Amitkumar R. Dhankani | Mansi A. Dhankani | Sunil P. Pawar
Source: Asian Journal of Pharmaceutical Analysis (review, 2025-07-12)
Field: Chemistry — Analytical Chemistry

Analytical Methods for Fimasartan:A Comprehensive Review of Chromatographic and Spectroscopic Techniques Fimasartan, an angiotensin II receptor blocker (ARB), is widely used for managing hypertension and cardiovascular disorders due to its high selectivity for the AT₁ receptor. Ensuring its efficacy, safety, and regulatory compliance necessitates robust analytical methods for its quantification in bulk drugs and pharmaceutical formulations. High-Performance Liquid Chromatography (HPLC), Ultra-Performance Liquid Chromatography (UPLC), High-Performance Thin Layer Chromatography (HPTLC), and Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS) are some of the analytical methods used for Fimasartan that are examined in this review. These methods provide high sensitivity and accuracy, making them essential for stability testing, impurity profiling, and pharmacokinetic assessments. Additionally, UV-Visible spectrophotometry has been utilized for qualitative and quantitative analysis due to its simplicity and cost-effectiveness. Furthermore, a detailed compilation of reported analytical methods including stability-indicating HPLC, LC-MS/MS, and UPLC-MS/MS techniques developed and validated across various studies is presented, showcasing key parameters like precision, retention time, detection limits, and calibration ranges. Stability-indicating methods are emphasized for detecting degradation products under stress conditions, ensuring regulatory compliance. Validation parameters set by the International Council for Harmonisation (ICH), including accuracy, precision, robustness, and specificity, are discussed. Despite the effectiveness of current techniques, challenges such as high costs and labor-intensive procedures persist. Future trends focus on automation, green chemistry practices, and AI-driven method optimization, improving efficiency and sustainability in Fimasartan analysis. Chromatography ; Biomedical engineering ; Materials science ; Medicine ; Mathematics ; Chemistry Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies
Authors: Kai Bin Liew | Hiu Ching Phang | Valerie Tan | Phei Er Kee | Long Chiau Ming | Palanirajan Vijayaraj Kumar | Siew-Keah Lee | A. B. M. Helal Uddin | Ritu Gilhotra | Arya Kadukkattil Ramanunny
Source: Current Pharmaceutical Design (article, 2025-04-18)
Field: Materials Science — Biomaterials

Nanoparticles as Novel Drug Delivery Systems for Cancer Treatment: Current Status and Future Perspectives Cancer continues to pose a significant global health challenge, demanding innovative therapeutic approaches to overcome the limitations of conventional treatments like chemotherapy and radiotherapy. Nanoparticles (NPs) have emerged as promising tools for cancer therapy due to their unique physicochemical properties that enable targeted drug delivery, reduced systemic toxicity, and enhanced therapeutic efficacy. This comprehensive review delves into the mechanisms of NP-based drug delivery, highlighting both passive and active targeting strategies. It categorizes and discusses diverse NP types, including polymeric, lipid-based, and metallic nanoparticles, emphasizing their applications in enhancing the bioavailability and specificity of anticancer agents. This review also explores the integration of advanced technologies, such as theranostics and artificial intelligence, to optimize NP design and functionality for personalized medicine. However, challenges remain, including issues related to toxicity, drug resistance, and manufacturing scalability. Addressing these barriers requires interdisciplinary research focused on developing stimuli-responsive NPs, improving biocompatibility, and incorporating multimodal therapeutic platforms. Although substantial progress has been made, this review is limited by the paucity of clinical trials validating NP efficacy and safety in diverse patient populations. Future endeavors should prioritize translational research to bridge the gap between preclinical innovations and clinical applications, ensuring that these transformative technologies benefit a broader spectrum of cancer patients. The review underscores the immense potential of NPs in redefining cancer treatment while advocating for sustained research to address existing limitations and unlock their full therapeutic promise. Drug delivery ; Drug ; Medicine ; Cancer ; Cancer drugs ; Current (fluid) ; Intensive care medicine ; Nanotechnology ; Pharmacology ; Risk analysis (engineering) ; Internal medicine ; Materials science ; Engineering Nanoparticle-Based Drug Delivery ; Curcumin's Biomedical Applications ; Cancer Research and Treatment
Authors: Nazila Biglari | Matineh Ghomi | Ehsan Nazarzadeh Zare‬ | Elham Mahmoudi | Jianliang Shen | Pooyan Makvandi
Source: Bioactive Materials (article, 2025-10-09)
Field: Materials Science — Materials Chemistry

Toward multifunctional nanoplatforms based on layered double hydroxides (LDHs) for cancer therapy: From structural design to application Layered double hydroxides (LDHs), known as anionic clays structured from metal hydroxide layers bearing positive charges and embedded anions are emerging as valuable tools in the field of cancer treatment. Owing to their inherent features such as extensive surface area, adjustable structure, ion-exchange potential, and compatibility with biological systems, these materials are well-suited for encapsulating and delivering various therapeutic agents including chemotherapeutic drugs, gene-based treatments, photosensitizers (PSs), and immune-modulating compounds in a controlled manner. This review offers an in-depth analysis of the latest developments in the design, preparation, and modification of LDHs for cancer-related applications with a special focus on their use in localized therapeutic delivery, gene transfer strategies, and multimodal therapeutic approaches. A novel dimension of LDH nanotechnology lies in its evolution from passive drug carriers to multifunctional theranostic systems capable of real-time imaging, environmental responsiveness, and multi-modal treatment delivery. Emerging innovations include synergistic photothermal-chemodynamic therapy, LDH-mediated immunotherapy, and CRISPR-Cas9 gene editing facilitated by the pH-sensitive and protective nature of LDHs. Additionally, hybridization with other nanomaterials and integration with AI-guided design and wearable biosensor technologies are opening new frontiers in personalized cancer care. Despite challenges such as <i>in vivo</i> stability and clinical translation, LDHs present transformative potential in revolutionizing precision oncology through safer, more effective, and individualized therapeutic strategies. Layered double hydroxides ; Nanomaterials ; Cancer therapy ; Biointerface ; Surface modification ; Hydroxide ; Template Layered Double Hydroxides Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Inorganic Chemistry and Materials
Authors: Marvin Alberts | Nina Hartrampf | Teodoro Laino
Source: ChemRxiv (preprint, 2025-03-07)
Field: Chemistry — Spectroscopy

From Spectra to Structure: AI-Powered 31P-NMR Interpretation Phosphorus-31 Nuclear Magnetic Resonance (31P-NMR) spectroscopy is a powerful technique for characterizing phosphorus-containing compounds in diverse chemical en- vironments. However, spectral interpretation remains a time-consuming and expertise- dependent task, relying on reference tables and empirical comparisons. In this study, we introduce a data-driven approach that automates 31P-NMR spectral analysis, pro- viding rapid and accurate predictions of local phosphorus environments. By leveraging a curated dataset of experimental and synthetic spectra, our model achieves a Top–1 accuracy of 53.64% and a Top-5 accuracy of 77.69% at predicting the local environment around a phosphorous atom. Furthermore, it demonstrates robustness across differ- ent solvent conditions and outperforms expert chemists by 25% in spectral assignment tasks. The models, datasets, and architecture are openly available, facilitating seam- less adoption in chemical laboratories engaged in structure elucidation, with the goal of advancing 31P-NMR spectral analysis and interpretation. Interpretation (philosophy) ; Spectral line ; NMR spectra database ; Materials science ; Nuclear magnetic resonance ; Physics ; Computer science ; Programming language ; Quantum mechanics Molecular spectroscopy and chirality ; Advanced NMR Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Chandrashekhar S. Patil | Prasiddhi Naik | T Mallamma | Prakash Goudanavar
Source: Nanoscience &amp Nanotechnology-Asia (article, 2025-02-27)
Field: Materials Science — Biomaterials

Leveraging Magnetic Nanoparticles for Modern Oncology: Revolutionary Approaches to Colorectal Cancer Treatment and Future Advancements Magnetic nanoparticles (MNPs) represent a transformative advancement in the fight against cancer. They offer an innovative method for diagnosing the condition, managing its symptoms, and monitoring its progression in real-time. This paper explores the extraordinary potential of MNPs to revolutionize cancer therapy through advanced imaging methods, magnetic hyperthermia, and targeted drug delivery. Medical experts can now accurately target tumors using MNPs while inflicting minimum damage to healthy cells. The future innovation of personalized magnetotheranostic will involve MNPs by integrating real-time diagnostics with tailored treatment regimens based on the molecular profile of each patient's malignancy. MNPs will transform cancer immunotherapy through liquid biopsies for early cancer detection, gene therapy for resistant tumors, and immune modulation. Drug resistance and tumor recurrence represent significant challenges in oncology; nevertheless, MNPs, with breakthroughs such as biodegradable nanoparticle designs and enhancements facilitated by artificial intelligence, provide considerable promise for addressing these issues. Safer, more effective, and personalized cancer treatments are attainable, and this review illustrates the unequivocal potential of MNPs as a versatile, patient-centric strategy. In the future, MNPs may offer promise to cancer patients globally by enhancing survival rates and transforming cancer treatment to be more precise, minimally invasive, and adaptable. Colorectal cancer ; Medicine ; Oncology ; Cancer ; Internal medicine ; Medical physics Nanoparticle-Based Drug Delivery
Authors: Marcelo Querino Lima Afonso | Ivanna Pidruchna | Sreenath Nair | Adam Midlik | Dare Kayode Lawal | M. Vollmar | Sri Devan Appasamy | Preeti Choudhary | Ibrahim Roshan Kunnakkattu | Damian Bertoni | Cristian A. Escobar | Balakumaran Balasubramaniyan | Romana Gáborová | Grisell Díaz Leines | Déborah Harrus | Deepti Gupta | Genevieve L. Evans | Urmila Paramval | Paulyna Magaña | Ahsan Tanweer | Mihai Todor | Christopher J. Thorpe | Maxim I. Tsenkov | Sudakshina Ganguly | Joseph I. J. Ellaway | Weslley Morellato Bueno | Adam Bellaiche | David Sehnal | Radka Svobodová Vařeková | Jennifer R. Fleming | Sameer Velankar
Source: Nucleic Acids Research (article, 2025-10-15)
Field: Materials Science — Materials Chemistry

PDBe: enhanced structural data exploration to facilitate discovery Protein Data Bank in Europe (PDBe) is a founding member of the worldwide Protein Data Bank (wwPDB), delivering open access to experimentally determined macromolecular structures. PDBe also delivers enriched annotations contributed by the PDBe-Knowledge Base (PDBe-KB) consortium. The macromolecular entry pages are the primary interface for millions of users who explore experimental structure data. Here, we describe the redesign of the PDBe entry pages that organize content into logical views, thereby improving usability and facilitating the use of structure models, driving fundamental and applied research, and supporting education. The new design introduces several enhancements, including integrated and central 3D visualization, sequence feature exploration, standardized molecular scenes, AI-driven residue-level annotations from text mining of the literature, and streamlined annotation access via refactored APIs. Importantly, researchers can now upload their own residue-level features and visualize them directly in structural context, displayed alongside PDBe-KB annotations. This functionality enables scientists to interpret unpublished or private data in relation to high-quality structural information, lowering barriers for those without prior expertise in structural biology. Together, these updates create a more accessible, flexible, and scalable framework for interacting with structural data, expanding the resource's value to both domain specialists and the wider life sciences community. Upload ; Usability ; Annotation ; Interface (matter) ; Scalability ; Domain (mathematical analysis) ; Data curation ; Protein Data Bank Enzyme Structure and Function ; Protein Structure and Dynamics ; Microbial Metabolic Engineering and Bioproduction