jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yun Fan | Mengyun Chen
Source: Nanoscale (review, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Emerging frontiers in chiral metal–organic framework membranes: diverse synthesis techniques and applications Chirality is a basic and universal property in nature, refering to the asymmetry of molecules, where they do not coincide with their mirror images. Chiral materials, in multiple forms, usually exhibit unique physical phenomena such as chiral luminescence and distinctive chemical properties. Metal-organic framework (MOF) membranes have high porosity and abundant active sites; thus, they are an excellent candidate for functionalization. With the involvement of chiral units, chiral MOF membranes demonstrate great potential in applications such as chiral sensing, separation and luminescence. In this review, we first introduce the up-to-date preparation methods for chiral MOF membranes, including direct and indirect methods, and then discuss their applications in enantiomer recognition, chiral separation, and circularly polarized luminescence. Finally, we summarize the challenges in developing chiral MOF membranes and provide a perspective on future developments. Membrane ; Nanotechnology ; Metal ; Materials science ; Metal-organic framework ; Combinatorial chemistry ; Chemistry ; Organic chemistry ; Metallurgy ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; X-ray Diffraction in Crystallography ; Zeolite Catalysis and Synthesis
Authors: Xiaoshun Jiang | Jiahao Mi | Yiling Wang | Mengqi Yin | Yuna Tong | Yuxuan Zhu
Source: International Journal of Nanomedicine (review, 2025-08-01)
Field: Chemistry — Inorganic Chemistry

Application of Metal-Organic Frameworks Nanoparticles in the Diagnosis and Treatment of Breast Cancer Breast cancer remains the most prevalent malignancy among women and the second leading cause of cancer-related mortality worldwide, primarily attributable to delayed diagnosis and limited therapeutic efficacy. Recent nanotechnology advances exhibit transformative potential in breast cancer management. Metal-organic frameworks (MOFs) have emerged as promising nanoplatforms for biomedical applications due to their exceptional adsorption capacity, high surface area, tunable porosity, structural stability, and facile surface functionalization-properties enabling advanced drug delivery systems (DDSs). This review systematically summarizes MOFs for DDSs and their applications in breast cancer. Classification by metal-ligand composition precedes critical analysis of synthesis methodologies, including comparative advantages and limitations alongside key factors influencing biomedical performance. A dedicated sections highlights normal and stimuli-responsive MOFs activated by endogenous or exogenous triggers. Furthermore, the application of multifunctional MOFs has been comprehensively explored, including chemotherapy, photothermal therapy, photodynamic therapy, immunotherapy, and diagnostic-therapeutic integration in breast cancer. Finally, challenges and possible solutions for MOFs in drug delivery are discussed. Breast cancer ; Materials science ; Cancer ; Nanoparticle ; Nanotechnology ; Metal-organic framework ; Medicine ; Chemistry ; Internal medicine ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Dendrimers and Hyperbranched Polymers
Authors: Ernesto Ibarra | Melissa Montes | Roger Alexei Urrutia | Diego Reginensi | Edwin Gonzalez | Luis Estrada | Alexandra Gutierrez-Vega | Abhishek Appaji | Jay Molino
Source: International Journal of Biomaterials (review, 2025-01-01)
Field: Materials Science — Biomaterials

Metallic Nanoparticles Applications in Neurological Disorders: A Review Metallic nanoparticles (NPs) possess unique physicochemical properties that have enabled their engineering for loading drugs, contrast agents, and targeting moieties for cellular and intracellular components, highlighting their emerging role as versatile tools in managing neurological disorders. In therapeutic applications, the surface plasmon resonance characteristics of gold and silver NPs and the responsiveness of magnetic nanoparticles (MNPs) to external magnetic fields facilitate the disruption of protein aggregates and the eradication of cancer cells. For diagnostic purposes, the inherent high electron density of metallic NPs makes them effective contrast agents in imaging technologies. Moreover, these NPs have proven their capability to traverse the blood-brain barrier (BBB) and interact with central nervous system (CNS) components. Despite their extensive scientific exploration and promising applications, metallic NPs have not yet achieved widespread clinical implementation, especially in comparison to polymer-based NPs. This article presents an in-depth examination of the physicochemical properties of metallic NPs relevant to neurological applications. It summarizes their roles in diagnosis and therapy, focusing on gold, magnetic, silver, titanium, and cerium NPs. Additionally, this document explains the incorporation of metal NPs in their application and their effect on the human body. Nanoparticle ; Medicine ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Kâmil Abdullah Eşidir
Source: Fırat Üniversitesi Sosyal Bilimler Dergisi (article, 2025-01-24)
Field: Chemistry — Analytical Chemistry

Türkiye’nin Kimyasal Madde İthalatının Gelecek Tahmini: Makine Öğrenmesi ve Topluluk Öğrenme Yöntemleri Performans Analizi Bu çalışma, Türkiye'nin kimyasal madde ithalatının gelecekteki değerlerini tahmin etmek amacıyla makine öğrenmesi ve topluluk öğrenme yöntemlerinin performansını değerlendirmektedir. Doğrusal Regresyon, Rastgele Orman, Rasyonel Kuadratik Regresyon, Destek Vektör Makinesi ve XGBoost modelleri kullanılmıştır. Veriler, TÜİK ve TCMB gibi güvenilir kaynaklardan elde edilmiştir. Makroekonomik değişkenler arasında Türkiye İthalatı, Kimyasallar ve Kimyasal Ürünler Üretim Endeksi, Aylık Ortalama Dolar Kuru, İmalat Sanayi Üretim Endeksi, Petrol Varil Fiyatları ve Kimyasal Madde İhracatı yer almaktadır. Analiz sonuçlarına göre, XGBoost modeli en yüksek doğruluk ve genelleme yeteneğine sahiptir. Model, eğitim, test ve çapraz doğrulama setlerinde en düşük hata oranları ve en yüksek R² değerleri ile başarılı performans göstermiştir. SHAP analizi, Türkiye İthalatı ve Kimyasallar Üretim Endeksi değişkenlerinin en yüksek etkiye sahip olduğunu ortaya koymuştur. XGBoost modeli ile yapılan projeksiyonlar, Türkiye'nin kimyasal madde ithalatının gelecekteki seyrine dair önemli bilgiler sunmakta, ekonomik planlama ve ticari stratejiler için kritik öneme sahiptir. Modelin yeteneği, politika yapıcılar ve iş dünyası için stratejik kararları kolaylaştırmaktadır. Mathematics ; Humanities ; Physics ; Art Petroleum Processing and Analysis ; Market Dynamics and Volatility ; Process Optimization and Integration
Authors: Luana Gazzato | Elena Missale | Daniele Asnicar | Francesco Sedona | G. Speranza | Alessandra Del Giudice | Luciano Galantini | Alberta Ferrarini | Marco Frasconi | Maria F. Pantano
Source: ACS Applied Materials & Interfaces (article, 2025-04-18)
Field: Materials Science — Materials Chemistry

Structural Insights into the Mechanical Behavior of Large-Area 2D Covalent Organic Framework Nanofilms Two-dimensional covalent organic frameworks (2D COFs) are periodic, permanently porous, lightweight solids with remarkable structural modularity, enabling precise control over their properties. As thin films, they have shown promising applications in chemical separations and organic electronics, making it crucial to understand their stability under mechanical stress. Here, we investigate how two different chemical linkages commonly used for 2D COFs, specifically imine and enamine, influence the mechanical properties of nanoscale thick films. Centimeter-scale 2D COF films with a thickness below 100 nm were synthesized by a condensation reaction at a liquid-liquid interface and subsequently transferred onto patterned substrates for mechanical testing. By employing a custom-made nanotensile testing platform, we achieved a comprehensive mechanical characterization of freestanding 2D COF films over a large area (0.5 mm<sup>2</sup>), a size relevant for device applications. The enamine-linked COF exhibits a higher Young's modulus and tensile strength but a lower fracture strain compared to the imine-linked COF, a difference attributed to the tightly stacked structure of the enamine-linked COF, as confirmed by molecular dynamics simulations. This distinct mechanical behavior reveals a fundamental relationship between the linkage chemistry of 2D COF and their mechanical properties, providing valuable insights that can drive the development of strong and durable thin-film devices based on 2D COFs. Materials science ; Covalent bond ; Nanotechnology ; Organic chemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport
Authors: Devaraj Bharathi | Jintae Lee
Source: Pharmaceuticals (review, 2025-07-05)
Field: Materials Science — Materials Chemistry

Recent Trends in Bioinspired Metal Nanoparticles for Targeting Drug-Resistant Biofilms Multidrug-resistant (MDR) biofilm infections characterized by densely packed microbial communities encased in protective extracellular matrices pose a formidable challenge to conventional antimicrobial therapies and are a major contributor to chronic, recurrent and device-associated infections. These biofilms significantly reduce antibiotic penetration, facilitate the survival of dormant persister cells and promote horizontal gene transfer, all of which contribute to the emergence and persistence of MDR pathogens. Metal nanoparticles (MNPs) have emerged as promising alternatives due to their potent antibiofilm properties. However, conventional synthesis methods are associated with high costs, complexity, inefficiency and negative environmental impacts. To overcome these limitations there has been a global push toward the development of sustainable and eco-friendly synthesis approaches. Recent advancements have demonstrated the successful use of various plant extracts, microbial cultures, and biomolecules for the green synthesis of MNPs, which offers biocompatibility, scalability, and environmental safety. This review provides a comprehensive overview of recent trends and the latest progress in the green synthesis of MNPs including silver (Ag), gold (Au), platinum (Pt), and selenium (Se), and also explores the mechanistic pathways and characterization techniques. Furthermore, it highlights the antibiofilm applications of these MNPs emphasizing their roles in disrupting biofilms and restoring the efficacy of existing antimicrobial strategies. Nanotechnology ; Biofilm ; Antimicrobial ; Multiple drug resistance ; Biotechnology ; Biochemical engineering ; Drug resistance ; Materials science ; Biology ; Microbiology ; Bacteria ; Engineering Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Pharmacological Effects and Toxicity Studies
Authors: Lei Hu | Shen Han | Tiejun Zhu | Tianqi Deng | Chenguang Fu
Source: npj Computational Materials (article, 2025-04-19)
Field: Materials Science — Materials Chemistry

P-type dopability in Half-Heusler thermoelectric semiconductors Half-Heusler (HH) semiconductors with high valence band degeneracy are promising p-type thermoelectric (TE) materials. However, effective p-type doping in HH semiconductors remains challenging, hindering further the exploration of high-performance p-type TE materials. In this work, we conduct first-principles calculations to identify the dominant native defects and potential p-type dopants in three representative HH compounds, e.g., NbFeSb, NbCoSn, and ZrNiSn. Our findings reveal that 4d interstitials underline the p-type dopability. By systematically investigating the extrinsic doping at the three Wyckoff positions in NbFeSb, NbCoSn, and ZrNiSn, respectively, we highlight that the pinned Fermi level serves as an indicator of p-type dopability. The calculation results identify Hf as a p-type dopant in NbCoSn under the Co-poor condition, which is further validated by experiments. A significantly improved p-type TE performance is obtained in Hf-doped NbCoSn. These results could guide the dopant selection and experimental optimization of the p-type TE performance of HH semiconductors. Thermoelectric effect ; Materials science ; Semiconductor ; Condensed matter physics ; Optoelectronics ; Physics ; Thermodynamics Advanced Thermoelectric Materials and Devices ; Heusler alloys: electronic and magnetic properties ; Topological Materials and Phenomena
Authors: Gabriel F. S. dos Santos | Giordano Toscano Paganoto | Lucas Carreira Cosme | Adilson Ribeiro Prado | Sérvio Túlio Alves Cassini | Marco César Cunegundes Guimarães | Jairo Pinto de Oliveira
Source: Nanoscale Advances (review, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Surface-enhanced Raman spectroscopy as a tool for food and environmental monitoring of pesticides: recent trends and perspectives Surface-enhanced Raman spectroscopy (SERS) has emerged as a powerful analytical tool for ultrasensitive detection of environmental contaminants, particularly pesticides. Recent developments have focused on nanomaterials engineering and SERS-active sensors to enhance signal intensity. Gold (AuNPs) and silver nanoparticles (AgNPs) of various morphologies and sizes have been widely explored due to their plasmonic properties, as well as hybrid or combined nanoparticle systems. Innovative approaches have also been developed, such as embedding nanoparticles in gels to enhance stability and reproducibility or using magnetic nanoparticles for sample interaction and preconcentration. Additionally, the integration of graphene oxide has gained attention because of its ability to improve the chemical enhancement mechanism <i>via</i> π-π interactions with analyte molecules. Despite these advances, SERS-based detection remains challenging, particularly with regard to selectivity in complex matrices. To address this issue, recent strategies have combined SERS substrates with biorecognition molecules such as antibodies, aptamers, and enzymes, thereby improving specificity and facilitating the development of SERS-based biosensors. This review highlights the current state-of-the-art SERS applications for pesticide detection in food and environmental samples, discussing the key technological advances, material innovations, and analytical challenges. This paper also offers perspectives on future research directions to increase the sensitivity, reproducibility, and field applicability of SERS-based detection platforms. Nanosensor ; Nanoparticle ; Nanomaterials ; Raman spectroscopy ; Surface-enhanced Raman spectroscopy ; Colloidal gold ; Analyte Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Spectroscopy and Chemometric Analyses
Authors: Thomas Friedrich Hubertus Roth | Téana Averbeck | Marvin Daalmann | Dieter Vogt | Thomas Seidensticker
Source: ChemSusChem (article, 2025-01-14)
Field: Materials Science — Biomaterials

Continuous Production of Bifunctional Platform Chemicals From Plant Oils in Water by Cyclodextrin‐Mediated Hydroformylation Platform chemicals from renewable resources with broad applications are highly desirable, particularly for replacing fossil-based monomers. Bifunctional aliphatic ester-aldehydes, accessible via regioselective hydroformylation of unsaturated oleochemicals, can be converted into linear ω-amino/ω-hydroxy esters and dicarboxylic acids-key building blocks for biobased aliphatic polycondensates. However, their success hinges on efficient, economically viable production, with catalyst recycling being critical. We present the Rh-catalyzed, cyclodextrin-mediated, aqueous biphasic hydroformylation of methyl 10-undecenoate (from castor oil) and methyl 9-decenoate (from rapeseed oil) to produce methyl 12-oxododecanoate and methyl 11-oxoundecanoate, respectively, with high yields and productivity. This system allows for efficient catalyst recycling via decantation, maintaining 30 % of its native activity in aqueous biphasic conditions. Reaction conditions were optimized using a tailored experimental design, reducing nearly 200 experiments to 39 without sacrificing predictive accuracy. The optimized conditions were transferred to a continuous miniplant, achieving a low rhodium loss of 0.018 % h<sup>-1</sup>, with excellent space-time yields of 76.5 kg h<sup>-1</sup> m<sup>-3</sup>. Rhodium in the product was as low as 79 ppb, with 4.4 kg of product per mg of catalyst lost, marking a significant step in combining hydroformylation-derived, bio-based platform chemicals with economic industrial potential. Hydroformylation ; Bifunctional ; Catalysis ; Regioselectivity ; Rhodium ; Chemistry ; Organic chemistry ; Aqueous solution ; Carbonylation biodegradable polymer synthesis and properties ; Catalysis for Biomass Conversion ; Synthetic Organic Chemistry Methods
Authors: Jonathan Maurer | Helena Vanluchene | Athanasios Tsalmpouris | Kris Morreel | Julien Camperi | Koen Sandra | Davy Guillarme
Source: TrAC Trends in Analytical Chemistry (article, 2025-05-16)
Field: Chemistry — Spectroscopy

Exploring the potential of oligonucleotide mapping with liquid chromatography – mass spectrometry to study the primary structure of mRNA Oligonucleotide (ON) or RNA mapping using liquid chromatography coupled to mass spectrometry (LC-MS) has recently emerged as an attractive approach to support the development of nucleic acid-based medicines, in particular mRNA. This technique provides valuable information on the primary structure of mRNA by combining enzymatic digestion, high-resolution chromatographic separation, accurate mass determination, optimized fragmentation strategies and advanced data treatment, similar to the peptide mapping workflows commonly employed for structural elucidation and quality assessment of therapeutic proteins. This review critically examines the latest developments in enzymatic digestion methods, liquid chromatography techniques, mass spectrometry conditions, and data treatment strategies to improve the performance of ON mapping and also provides some perspectives to further optimize this workflow. • Overview of ON mapping for in-depth mRNA characterization. • ON mapping enables sequence verification and detection of desired or undesired mRNA modifications. • Colicin E5 and RNase 4 are the most effective oligospecific RNases for ON mapping. • HILIC provides lower sequence coverage compared to IP-RPLC. • Higher-energy Collisional Dissociation (HCD) has recently gained attention in the field. Mass spectrometry ; Chromatography ; Liquid chromatography–mass spectrometry ; Chemistry ; Oligonucleotide ; Biochemistry ; DNA Mass Spectrometry Techniques and Applications ; RNA and protein synthesis mechanisms ; Molecular Biology Techniques and Applications
Authors: Martina Schibeci | Rosa Gaglione | Noemi Russo | Raffaele Velotta | Bartolomeo Della Ventura | Angela Arciello
Source: Biotechnology Journal (article, 2025-02-01)
Field: Materials Science — Biomaterials

Enzymatically Crafted Bacterial Cellulose Nanoparticles Functionalized With Antimicrobial Peptides: Toward Sustainable Antimicrobial Formulations Although natural antimicrobial peptides (AMPs) are endowed with excellent antimicrobial properties, only a few of them have been successfully translated to the market so far. This is mainly due to their short half-life, to their high susceptibility to protease degradation, and to the lack of appropriate strategies for their efficient targeted delivery. Hence, the development of an effective system to deliver AMPs to the site of infection is urgent. The system here selected is represented by bacterial cellulose nanoparticles (BCNPs). Nanocellulose has recently emerged as one of the most promising "green" materials, attracting great attention due to its unique features, including biodegradability, sustainability, biocompatibility, and special physicochemical properties. To produce BCNPs, Komagataeibacter xylinus has been selected as host producing strain. Once obtained BC macrofibers, the production of BCNPs was set up by enzymatic hydrolysis using a commercial mixture of cellulases from Trichoderma reesei to develop a sustainable green biotechnological process. The storage stability of produced BCNPs has been also evaluated. Obtained BCNPs have been functionalized through non-covalent bindings with an antimicrobial peptide previously identified in human apolipoprotein B and found to be endowed with strong antimicrobial properties in in vitro analyses and with good biocompatibility profiles when analyzed on human skin cells. This opens interesting perspectives to the applicability of the developed system in several biotechnological fields. Antimicrobial ; Biocompatibility ; Cellulase ; Nanocellulose ; Antimicrobial peptides ; Bacterial cellulose ; Cellulose ; Chemistry ; Trichoderma reesei ; Enzymatic hydrolysis ; Hydrolysis ; Microbiology ; Combinatorial chemistry ; Nanotechnology ; Biochemistry ; Materials science ; Biology ; Organic chemistry Advanced Cellulose Research Studies ; Enzyme Production and Characterization ; Nanocomposite Films for Food Packaging
Authors: Wenjie Shang | Jiahang Zhou | J. P. Panda | Zhihao Xu | Yi Liu | Pan Du | Jianxun Wang | Tengfei Luo
Source: npj Computational Materials (article, 2025-05-09)
Field: Materials Science — Materials Chemistry

JAX-BTE: a GPU-accelerated differentiable solver for phonon Boltzmann transport equations This paper introduces JAX-BTE, a GPU-accelerated, differentiable solver for the phonon Boltzmann Transport Equation (BTE) based on differentiable programming. JAX-BTE enables accurate, efficient and differentiable multiscale thermal modeling by leveraging high-performance GPU computing and automatic differentiation. The solver efficiently addresses the high-dimensional and complex integro-differential nature of the phonon BTE, facilitating both forward simulations and data-augmented inverse simulations through end-to-end optimization. Validation is performed across a range of 1D to 3D simulations, including complex FinFET structures, in both forward and inverse settings, demonstrating excellent performance and reliability. JAX-BTE significantly outperforms state-of-the-art BTE solvers in forward simulations and uniquely enables inverse simulations, making it a powerful tool for multiscale thermal analysis and design for semiconductor devices. Solver ; Boltzmann equation ; Differentiable function ; Boltzmann constant ; Phonon ; Physics ; Computer science ; Parallel computing ; Statistical physics ; Mathematics ; Thermodynamics ; Mathematical analysis ; Programming language ; Quantum mechanics Thermal properties of materials ; Model Reduction and Neural Networks ; Lattice Boltzmann Simulation Studies