jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shulei Ge | Zhili Cui | Lei Peng | Xintong Wang | Kaixin Chen | Changrui Nie | Shou‐Cheng Dong | Yang Huang | Gen Luo | Lin He | Jie Li
Source: Nature Communications (article, 2025-10-02)
Field: Chemistry — Organic Chemistry

Pincer-cobalt boosts divergent alkene carbonylation under tandem electro-thermo-catalysis Catalytic multicomponent carbonylation reactions with high regio- and chemoselectivity represent one of the long-pursued goals in C1 chemistry. We herein disclose a practical cobalt-catalyzed divergent radical alkene carbonylative functionalization under 1 atm of CO at 23 °C. The leverage of the tridentate NNN-type pincer ligand is the key to avoid the formation of catalytically inert Co<sup>0</sup>(CO)<sub>n</sub> species and overcome the occurrence of oxidative carbonylation of organozincs, selectively tuning the catalytic reactivity of cobalt center for dictating a full cobalt-catalyzed four-component carbonylation. Moreover, direct use CO<sub>2</sub> as the C1 source in the multicomponent alkene carbonylative couplings can be achieved under a tandem electro-thermo-catalysis, thus allowing us to rapidly and reliably construct unsymmetric ketones with ample scope and excellent functional group compatibility. Remarkably, our protocol encompasses a broader of polyhaloalkanes as the electrophiles, which underwent radical-relay couplings in a completely regio- and chemoselective fashion. Finally, facile modifications of drug-like molecules demonstrate the synthetic utility of this method. Chemoselectivity ; Alkene ; Carbonylation ; Tandem ; Catalysis ; Phosphoramidite ; Functional group ; Reactivity (psychology) ; Cascade reaction Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions ; Catalytic Cross-Coupling Reactions
Authors: Hanan M. Alharbi | Taha Alqahtani | Nada A. Alqalawi | Shayma A. Alsayegh | Basmah A. Almaghrabi | Subham Sarkar | Daniel Ejim Uti | Bikram Dhara
Source: Journal of Cellular and Molecular Medicine (review, 2025-08-01)
Field: Materials Science — Biomaterials

Exploring the Potential of Zein Nanoparticles in Personalised Cancer Therapy, Highlighting Their Various Methodologies, Applications and Challenges Zein, a corn-derived prolamine protein, has become a powerful ally in the fight against cancer, particularly non-small cell lung cancer (NSCLC.) Its unique attributes, enriched by modifiable hydroxyl and amino groups, have led to the development of advanced functionalised drug delivery systems. Innovative techniques like chemical crosslinking, desolvation, dispersion and micromixing have led to the creation of zein-based nanoparticles, revolutionising cancer therapy. Central to this examination is the remarkable ability of zein NPs to enhance drug stability, optimise oral bioavailability and improve targeted drug delivery, specifically tailored to combat NSCLC. This represents not just a technological breakthrough but a paradigm shift, ushering in a new era of precise, personalised and effective cancer treatment. Zein, a hydrophobic nanoparticle, is a promising drug for cancer treatment. However, its journey to the clinic is challenging due to its hydrophobic nature and the need for advanced evaluative platforms. This review emphasises the need for rigorous research to align zein's potential with real-world applications. It offers a synthesis of methodologies, applications, and obstacles, aiming to see zein nanoparticles as a central element in cancer therapy innovations. The review encourages researchers, clinicians and industry professionals to embrace the potential of zein and promote the convergence of laboratory innovation and clinical application. Cancer therapy ; Nanotechnology ; Computational biology ; Cancer ; Data science ; Computer science ; Biology ; Medicine ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoparticles: synthesis and applications
Authors: Sanchita Ghosh | Yutong Liang | Weibo Cai | Rubel Chakravarty
Source: Journal of Nanobiotechnology (review, 2025-06-02)
Field: Materials Science — Materials Chemistry

In situ radiochemical doping of functionalized inorganic nanoplatforms for theranostic applications: a paradigm shift in nanooncology In situ radiochemical doping presents a transformative approach for synthesizing radiolabeled inorganic nanoparticles (NPs) for cancer theranostics. Traditional radiolabeling techniques rely on bifunctional chelators, which often require harsh reaction conditions that can degrade the physicochemical properties of NPs. Additionally, the enzymatic dissociation of radiometals can potentially induce in vivo toxicity. In contrast, in situ doping directly incorporates radiometals into the NP crystal lattice, significantly enhancing both radiolabeling yield and radiochemical stability. This method preserves the pharmacokinetic profiles of the radiolabeled NPs, improving their theranostic efficacy. This review provides an up-to-date overview of the progress made in the development of radiolabeled inorganic nanoplatforms through in situ doping, with a focus on their stability, physicochemical characteristics, and applications in cancer theranostics. Our findings highlight the advantages in situ doping as a more efficient and stable alternative to conventional radiolabeling methods, offering substantial potential for the development of more effective cancer theranostic agents. Nanotechnology ; In situ ; Doping ; Chemistry ; Materials science ; Optoelectronics ; Organic chemistry Electronic and Structural Properties of Oxides ; Nanoplatforms for cancer theranostics ; Ion-surface interactions and analysis
Authors: Fuxing Wen | Lishuang Wang | Li X | Jiajia Zhao | Tingting Xu | Jingkai Zhu | Lijuan Ma | Xiaodong Wang
Source: OncoTargets and Therapy (review, 2025-10-01)
Field: Materials Science — Biomaterials

Precision Nanomedicine for Cancer: Innovations, Strategies, and Translational Challenges As nanotechnology advances rapidly, it has propelled nanomedicine into a revolutionary frontier for anticancer therapy. This review comprehensively analyzes the core principles, key innovations, and strategic approaches driving the development of targeted nanotherapeutics against tumors. We elucidate the distinctive properties of nanoscale drug delivery systems (eg, liposomes, polymeric nanoparticles, inorganic nanoparticles, and hybrid systems) and their capacity to be designed to surmount the constraints of traditional cancer treatments by potentially augmenting drug specificity, bioavailability, and minimizing systemic toxicity, with some nanocarriers (eg, liposomal doxorubicin) already approved for clinical use. With a focus on both the enhanced permeability and retention (EPR) effect-mediated passive targeting and ligand-based active targeting mechanisms employing peptides, aptamers, and antibodies, we investigate how these nanocarriers are engineered for efficient tumor-targeted drug delivery. The review further delves into the understanding of nano-bio interactions (eg, size-dependent cellular uptake) and their interplay with cancer biology. We discuss how this knowledge, alongside the rational design of stimuli-responsive and multifunctional "smart" nanoplatforms, informs the development of more precise and effective therapeutic strategies. Finally, we address the ongoing challenges in clinical translation, such as patient heterogeneity and physiological barriers, and emphasize that comprehending these aspects is pivotal for guiding future translational research towards the realization of truly patient-centric nanomedicines. Nanomedicine ; Nanocarriers ; Drug delivery ; Targeted drug delivery ; Translational research ; Cancer therapy ; Drug development Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Yuxin Xiao | Mingyao Shen | Chin‐Yiu Chan | Tao Yu | Wei Huang
Source: Light Science & Applications (review, 2025-08-27)
Field: Materials Science — Materials Chemistry

Ultralong organic afterglow from small molecular host-guest materials: state of the art Ultralong organic afterglow materials are being actively explored as attractive candidates for a wide range of applications such as data storage, security inks, emergency lighting, etc., due to their unique long-lived excited state properties and inherent advantages of low cost, appreciable functionality and ease of preparation. In the last three years, much effort has been devoted to achieving efficient ultralong afterglow from organic small molecules, which possess controllable intermolecular interactions and defined energy levels, making them a good platform to suppress the non-radiative decays, hence stabilizing the excitons for efficient afterglow emissions at room temperature. Nevertheless, there has been a lack of reviews on how efficient ultralong organic afterglow can be systematically achieved from small molecular host-guest materials, which is not conducive to the development of the field. In this review, we have outlined and summarized small-molecule ultralong organic afterglow materials based on different emission mechanisms. We have included emission mechanisms involving ultralong room-temperature phosphorescence (URTP), ultralong thermally activated delayed fluorescence (UTADF) and organic long persistent luminescence (OLPL), where the latter two mechanisms have rarely been reported. In addition, challenges and future perspectives are discussed to emphasize the future directions. Afterglow ; Host (biology) ; Nanotechnology ; State (computer science) ; Optical materials ; Materials science ; Engineering physics ; Astrobiology ; Optoelectronics ; Physics ; Computer science ; Astronomy ; Biology Luminescence and Fluorescent Materials ; Perovskite Materials and Applications ; Organic Light-Emitting Diodes Research
Authors: Toru Amaya | Yoshié Otake
Source: Bulletin of the Chemical Society of Japan (article, 2025-04-16)
Field: Materials Science — Polymers and Plastics

Development of self-doped conductive polymers with phosphonic acid moieties Abstract Conductive polymers are fundamental to modern organic electronics. Among them, self-doped conductive polymers have attracted attention for applications in printable electronics and biosensor materials due to their water solubility and intrinsic ability to achieve charge compensation without external dopants. To date, the charge-compensating moiety in p-type self-doped conductive polymers has primarily been the sulfonic acid group; however, its strong acidity has led to issues such as substrate corrosion, posing challenges. To address this, we have been developing self-doped conductive polymers incorporating phosphonic acid since ∼2012. Our focus on phosphonic acid stems from its several advantages: it is a mild acid, its dibasic nature enables functionalization, and it exhibits a strong binding affinity to metal oxides. This account summarizes the synthesis and properties of self-doped polyanilines and a self-doped poly(3,4-ethylenedioxythiophene) (PEDOT) containing phosphonic acid moieties, with a focus on their electrical conductivity and potential applications. In self-doped polyaniline, the introduction of phosphonic acid groups induced polaron delocalization under basic conditions, a unique feature not observed in other self-doped polyanilines. Furthermore, salt formation with long-chain alkylammonium ions improved solubility in organic solvents. The potential applications of these materials as charge dissipation agents for electron-beam lithography and hole transport materials for organic photovoltaics were also explored. Additionally, the introduction of phosphonic acid moieties via postpolymerization modification was discussed. A key challenge of self-doped polyaniline was its relatively low conductivity (poly(2-methoxyaniline-5-phosphonic acid): up to 1.9 × 10−1 S/cm). This limitation was overcome by developing Phos-PEDOT 2, a phosphonic acid-functionalized PEDOT derivative, which exhibited a conductivity of 1.3 × 102 S/cm—three orders of magnitude higher than that of self-doped polyaniline. Chemistry ; Electrical conductor ; Doping ; Polymer ; Polymer chemistry ; Conductive polymer ; Organic chemistry ; Nanotechnology ; Polymer science ; Combinatorial chemistry ; Optoelectronics ; Composite material Conducting polymers and applications ; Chemical Synthesis and Characterization ; Polyoxometalates: Synthesis and Applications
Authors: Sai Zhang | Xiaobei Jin | Daixiang Chen | Qingzheng Xu | Tao Wang | Xiuyuan Qin | Jialing Mao | Yue Zhang | Shenghu Yan | Guigen Li
Source: Molecules (article, 2025-03-31)
Field: Materials Science — Materials Chemistry

Synthesis and Characterization of Multilayer 3D Chiral Polymers with Enhanced Optical Properties This study reports the synthesis of novel multilayer 3D chiral polymers using 2,2'-(2,7-Naphthalenediyl)bis[4,4,5,5-tetramethyl-1,3,2-dioxaborolane] and 1,8-dibronaphthalene along with its derivatives as key precursors. Comprehensive characterization was performed using nuclear magnetic resonance (NMR), gel permeation chromatography (GPC), photoluminescence, ultraviolet (UV) spectroscopy, scanning electron microscopy (SEM), polarimetry, dynamic light scattering (DLS), and thermogravimetric analysis (TGA). Notably, the polymers exhibited remarkable aggregation-induced emission (AIE) and aggregation-induced polarization (AIP) phenomena, revealing enhanced luminescence and optical activity in aggregated states. These findings underscore the potential of these chiral polymers for applications in optoelectronics and advanced sensing technologies, highlighting the intricate relationship between molecular structure and optical behavior. Characterization (materials science) ; Polymer ; Materials science ; Nanotechnology ; Chemistry ; Combinatorial chemistry ; Organic chemistry Luminescence and Fluorescent Materials ; Synthesis and Properties of Aromatic Compounds ; Photochromic and Fluorescence Chemistry
Authors: Hannah E. Hackney | Cory Ruchlin | Emil Stahle | Dmitrii F. Perepichka
Source: Angewandte Chemie International Edition (article, 2025-07-23)
Field: Chemistry — Physical and Theoretical Chemistry

Chloromethoxytrityls: Tuning the SOMO Level of Stable Luminescent Radicals Luminescent radicals are of significant recent interest because of the unique quantum properties of the doublet excited state. Control of the energy level of the singly-occupied molecular orbital (SOMO) is essential for the design and application of open-shell materials, but most triarylmethyl radicals are very electron-poor and exhibit similar SOMO values. In this work, we show how a combination of chlorine and methoxy substituents in triarylmethyl radicals allows tuning of their SOMO level over a wide range of -5.7 to -3.9 eV. We demonstrate that both methoxy and chlorine groups provide sufficient stabilization of the radical against peroxide formation, but one-electron oxidation in air limits the SOMO ≤ -4.5 eV to maintain bench stability. Two new stable radicals are characterized by X-ray crystallography, cyclic voltammetry, and luminescence measurements in solution and doped films. We show that the combination of chlorine and methoxy substituents improves the photostability of triarylmethyl radicals compared to tris(trichlorophenyl)methyl (TTM). The extraordinarily large range of SOMO levels in these radicals provides an opportunity to benchmark computational methods for predicting redox potentials. We find that most common density functional theory functionals and even coupled-cluster (CCSD) calculations overestimate the substituent effects in these open-shell species. Radical ; Chemistry ; Photochemistry ; Density functional theory ; Luminescence ; Excited state ; Open shell ; Molecular orbital ; Computational chemistry ; Molecule ; Materials science ; Atomic physics ; Organic chemistry ; Physics Photochemistry and Electron Transfer Studies ; Organic Light-Emitting Diodes Research ; Magnetism in coordination complexes
Authors: Zhaoyong Jin | Dongxu Gu | Panpan Li | Guilin Ye | Haiou Zhu | Kailun Wei | Chunxiang Li | Wenhui Zhong | Wenjie Du | Qing Zhu
Source: Sustainable Chemistry for Energy Materials (article, 2025-06-21)
Field: Materials Science — Materials Chemistry

Artificial intelligence-driven catalyst design for electrocatalytic hydrogen production: Paradigm innovation and challenges in material discovery Hydrogen production ; Production (economics) ; Catalysis ; Paradigm shift ; Nanotechnology ; Business ; Computer science ; Materials science ; Chemistry ; Economics ; Physics ; Organic chemistry Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Catalysis and Hydrodesulfurization Studies
Authors: Xinyu Zhang | Zijian Chen | Feibei Chen | Billy Fanady | Bo-Yuan Wang | Zongming Ni | Shumin Zhou | Junzhi Ye | Guanghao Chen | Jie Liu | Robert L. Z. Hoye | Zheng‐Xiang Li | Samantha Y. Chong | Wei Feng | Chi-yung Chung | Ching-chuen Chan | Linjiang Chen | Hao Han | Alán Aspuru‐Guzik | Jun Jiang | Haitao Zhao
Source: Nexus (article, 2025-07-02)
Field: Materials Science — Materials Chemistry

Material intelligence by the convergence of artificial intelligence and robotic platforms Convergence (economics) ; Artificial intelligence ; Computer science ; Economics Machine Learning in Materials Science ; Digital Transformation in Industry
Authors: Felicia Daniela Cannavacciuolo | Laura Falivene | Ziyun Zhang | Gentoku Takasao | Diego De Canditiis | Mostafa Khoshsefat | Patchanee Chammingkwan | Giuseppe Antinucci | Toshiaki Taniike | Roberta Cipullo | Luigi Cavallo | Vincenzo Busico
Source: ACS Catalysis (article, 2025-03-24)
Field: Chemistry — Organic Chemistry

Data Driven Modeling of Ziegler–Natta Polypropylene Catalysts: Revisiting the Role of the Internal Donor Catalysis ; Natta ; Polypropylene ; Ziegler–Natta catalyst ; Chemistry ; Materials science ; Polymer science ; Organic chemistry ; Polymerization ; Polymer Organometallic Complex Synthesis and Catalysis ; Carbon dioxide utilization in catalysis ; Catalytic Processes in Materials Science
Authors: Haixiao Hu | Haiyan Liang | Xiaoyan Liu | Hehe Jiang | Moyu Yi | Yongzhong Wu | Xiaopeng Hao | Bin Chang | Weijia Zhou
Source: Materials Reports Energy (article, 2025-08-01)
Field: Materials Science — Materials Chemistry

Optimization of single crystal surface and interface structures for electrocatalysis For emerging renewable and sustainable energy technologies, single crystal materials have become key materials to enhance electrocatalytic performance because of their atomic-level ordered structures and tailorable surface and interfacial properties. Various single crystal types, including metals, semiconductors, ceramics, organics, and nanocrystals, exhibit superior catalytic selectivity and stability in reactions such as water splitting and carbon/nitrogen cycles, benefiting from high electrical conductivity, tunable energy bands, and active sites with high surface energy. Through surface modification, interfacial atomic doping, and heterostructure construction, the distribution of active sites, electronic structure, and mass transport can be precisely regulated, significantly optimizing the catalytic kinetics of single crystal materials. In situ characterizations elucidate catalytic mechanisms at the atomic scale, while emerging methods like AI-assisted synthesis and bio-template directed growth offer pathways to overcome bottlenecks in the precision and cost of single crystal preparation. In addressing stability challenges in complex environments, strategies such as organic-inorganic hybridization and gradient interface design effectively mitigate interfacial instability. Future research should focus on cross-scale structural regulation and multidisciplinary integration to facilitate the transition of single crystal electrocatalysts from fundamental research to industrial applications, enabling efficient energy conversion. Electrocatalyst ; Interface (matter) ; Materials science ; Surface (topology) ; Nanotechnology ; Chemistry ; Composite material ; Electrode ; Physical chemistry ; Electrochemistry ; Mathematics ; Geometry Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Molecular Junctions and Nanostructures
Authors: Sepinoud Azimi
Source: Current Opinion in Biomedical Engineering (review, 2025-10-15)
Field: Materials Science — Biomaterials

Intelligent nanoparticle design: Unlocking the potential of AI for transformative drug delivery Artificial intelligence (AI) is revolutionizing nanoparticle (NP)-based drug delivery by tackling design, synthesis, and optimization challenges. Traditional approaches to NP development often rely on trial-and-error methods, leading to scalability, biocompatibility, and targeted drug release inefficiencies. This review explores how AI-driven models transform the landscape of NP formulation, from enhancing drug encapsulation and optimizing release kinetics to improving targeted delivery and overcoming physiological barriers. Additionally, we examine the challenges associated with AI integration, including data limitations and model interpretability, and discuss strategies for bridging these gaps. By leveraging AI, the field of nanomedicine can accelerate the transition from laboratory research to clinical applications, ultimately improving treatment outcomes for complex diseases. Nanomedicine ; Drug delivery ; Transformative learning ; Bridging (networking) ; Targeted drug delivery ; Field (mathematics) Nanoparticle-Based Drug Delivery ; Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications
Authors: Zhanhui Gan | Jinming Liu | Zhuoqi Xu | Shuai Jia | Xue‐Hui Dong
Source: Progress in Polymer Science (article, 2025-09-26)
Field: Chemistry — Organic Chemistry

Precision polymers: advances in synthesis, structural engineering, and functional optimization Polymerization ; Polymer ; Chain (unit) ; Crystallization Advanced Polymer Synthesis and Characterization ; Chemical Synthesis and Analysis ; Innovative Microfluidic and Catalytic Techniques Innovation