jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Harisekhar Mitta | Lingfeng Li | Mohammadhossein Havaei | Dambarudhar Parida | Elias Féghali | Kathy Elst | Annelore Aerts | Karolien Vanbroekhoven | Kevin M. Van Geem
Source: Green Chemistry (article, 2024-11-25)
Field: Materials Science — Biomaterials

Challenges and opportunities in catalytic hydrogenolysis of oxygenated plastics waste: polyesters, polycarbonates, and epoxy resins This review comprehensively explores various homogeneous and heterogeneous catalytic systems for the hydrogenolysis of oxygenated polymeric wastes (OXPs), presenting an adaptable solution to plastic pollution and generating valuable feedstock. Hydrogenolysis ; Polyester ; Epoxy ; Catalysis ; Organic chemistry ; Chemistry ; Polymer ; Materials science ; Polymer chemistry biodegradable polymer synthesis and properties ; Polymer crystallization and properties ; Carbon dioxide utilization in catalysis
Authors: Amit Kumar Rajora | Eknath D. Ahire | Manju A. K. Rajora | Sukhvir Singh | Jaydeep Bhattacharya | Hongbo Zhang
Source: Smart Medicine (review, 2024-01-30)
Field: Materials Science — Biomaterials

Emergence and impact of theranostic‐nanoformulation of triple therapeutics for combination cancer therapy Cancer remains a major global health threat necessitating the multipronged approaches for its prevention and management. Traditional approaches in the form of chemotherapy, surgery, and radiotherapy are often encountered with poor patient outcomes evidenced by high mortality and morbidity, compelling the need for precision medicine for cancer patients to enable personalized and targeted cancer treatment. There has been an emergence of smart multimodal theranostic nanoformulation for triple combination cancer therapy in the last few years, which dramatically enhances the overall safety of the nanoformulation for in vivo and potential clinical applications with minimal toxicity. However, it is imperative to gain insight into the limitations of this system in terms of clinical translation, cost-effectiveness, accessibility, and multidisciplinary collaboration. This review paper aims to highlight and compare the impact of the recent theranostic nanoformulations of triple therapeutics in a single nanocarrier for effective management of cancer and provide a new dimension for diagnostic and treatment simultaneously. Cancer ; Medicine ; Triple-negative breast cancer ; Cancer research ; Oncology ; Internal medicine ; Breast cancer Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery
Authors: S.K. Patri | Nguyễn Thị Kim Thanh | Nazila Kamaly
Source: Nanoscale (review, 2024-01-01)
Field: Materials Science — Biomaterials

Magnetic iron oxide nanogels for combined hyperthermia and drug delivery for cancer treatment Hyperthermia and chemotherapy represent potential modalities for cancer treatments. However, hyperthermia can be invasive, while chemotherapy drugs often have severe side effects. Recent clinical investigations have underscored the potential synergistic efficacy of combining hyperthermia with chemotherapy, leading to enhanced cancer cell killing. In this context, magnetic iron oxide nanogels have emerged as promising candidates as they can integrate superparamagnetic iron oxide nanoparticles (IONPs), providing the requisite magnetism for magnetic hyperthermia, with the nanogel scaffold facilitating smart drug delivery. This review provides an overview of the synthetic methodologies employed in fabricating magnetic nanogels. Key properties and designs of these nanogels are discussed and challenges for their translation to the clinic and the market are summarised. Hyperthermia ; Magnetic hyperthermia ; Chemotherapy ; Drug delivery ; Drug ; Modalities ; Medicine ; Cancer chemotherapy ; Pharmacology ; Cancer research ; Materials science ; Nanotechnology ; Magnetic nanoparticles ; Surgery ; Internal medicine ; Nanoparticle Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles
Authors: Jinhai Yu | Bin Chen | Xiaoqiang Huang
Source: Angewandte Chemie International Edition (review, 2024-11-28)
Field: Chemistry — Organic Chemistry

Single‐Electron Oxidation Triggered by Visible‐Light‐Excited Enzymes for Asymmetric Biocatalysis By integrating enzymatic catalysis with photocatalysis, photoenzymatic catalysis emerges as a powerful strategy to enhance enzyme catalytic capabilities and provide superior stereocontrol in reactions involving reactive intermediates. Repurposing naturally occurring enzymes using visible light is among the most active directions of photoenzymatic catalysis. This Minireview focuses on a cutting-edge strategy in this direction, namely single-electron-oxidation-triggered non-natural biotransformations catalyzed by photoexcited enzymes. These straightforward transformations feature a unique radical mechanism initiated by single-electron oxidation, achieving redox-neutral non-natural C-C, C-O, and C-S bond formation, and expanding the chemical toolbox of enzymes. By highlighting recent advances in this field and emphasizing their catalytic mechanisms and synthetic potential, innovative approaches for photobiomanufacturing are anticipated. Biocatalysis ; Catalysis ; Chemistry ; Redox ; Enzyme ; Photocatalysis ; Enzyme catalysis ; Combinatorial chemistry ; Photochemistry ; Reaction mechanism ; Organic chemistry Radical Photochemical Reactions ; Advanced Nanomaterials in Catalysis ; Advanced Photocatalysis Techniques
Authors: Hong Xin | Qi Yang | Kuangbiao Liao | Jianfeng Pei | Mao Chen | Fanyang Mo | Hua Lu | Wenbin Zhang | Haisen Zhou | Jiaxiao Chen | Lebin Su | Shuo‐Qing Zhang | Siyuan Liu | Xu Huang | Yizhou Sun | Yuxiang Wang | Zexi Zhang | Zhunzhun Yu | Sanzhong Luo | Xuefeng Fu | Shu‐Li You
Source: Science China Chemistry (article, 2024-06-26)
Field: Materials Science — Materials Chemistry

AI for organic and polymer synthesis Polymer ; Polymer science ; Materials science ; Composite material Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Burak Kıyak | Hakan F. Öztop | Fatih Ertam | İ. Aksoy
Source: Engineering Analysis with Boundary Elements (article, 2024-02-02)
Field: Materials Science — Polymers and Plastics

An intelligent approach to investigate the effects of container orientation for PCM melting based on an XGBoost regression model Container (type theory) ; Orientation (vector space) ; Regression ; Computer science ; Regression analysis ; Artificial intelligence ; Materials science ; Mathematics ; Machine learning ; Statistics ; Composite material ; Geometry Textile materials and evaluations ; Phase Change Materials Research ; Radiative Heat Transfer Studies
Authors: Mohamed Mohamady Ghobashy | A. I. Sharshir | R. A. Zaghlool | F. Mohamed
Source: Scientific Reports (article, 2024-02-28)
Field: Materials Science — Polymers and Plastics

Investigating the impact of electron beam irradiation on electrical, magnetic, and optical properties of XLPE/Co3O4 nanocomposites Nowadays, many researchers aim to fill polymer materials with inorganic nanoparticles to enhance the polymer properties and gain the merits of the polymeric host matrix. Sol-gel synthesized Co<sub>3</sub>O<sub>4</sub> nanoparticles are subjected to different doses of electron beam (10, 20, and 30 kGy) to study their physiochemical properties and choose the optimized nanoparticles to fill our polymeric matrix. Crosslinked polyethylene (XLPE) has been filled with 5 wt % of un-irradiated cobalt oxide nanoparticles using the melt extruder method. The structural, optical, magnetic, and electrical properties of the XLPE/Co<sub>3</sub>O<sub>4</sub> nanocomposite before and after exposure to different doses of electron beam radiation have been characterized. The crystallite size of face-centered cubic spinel Co<sub>3</sub>O<sub>4</sub> nanoparticles has been confirmed by XRD whereas and their unique truncated octahedral shape obviously appears in SEM micrographs. The crystallite size of Co<sub>3</sub>O<sub>4</sub> nanoparticles has decreased from 47.5 to 31.5 nm upon irradiation at a dose of 30 kGy, and significantly decreased to 18.5 nm upon filling inside XLPE matrix. Related to the oxidation effect of the electron beam, the Co<sup>2+</sup>/Co<sup>3+</sup> ratio on the surface of Co<sub>3</sub>O<sub>4</sub> nanoparticles has decreased upon irradiation as verified by XPS technique. This consequently caused the partial elimination of oxygen vacancies, mainly responsible for the weak ferromagnetic behavior of Co<sub>3</sub>O<sub>4</sub> in its nanoscale. This appears as decreased saturation magnetization as depicted by VSM. The XLPE/Co<sub>3</sub>O<sub>4</sub> nanocomposite has also shown weak ferromagnetic behavior but the coercive field (H<sub>c</sub>) has increased from 112.57 to 175.72 G upon filling inside XLPE matrix and decreased to 135.18 G after irradiating the nanocomposite at a dose of 30 kGy. The ionic conductivity of XLPE has increased from 0.133 × 10<sup>-7</sup> to 2.198 × 10<sup>-3</sup> S/cm upon filling with Co<sub>3</sub>O<sub>4</sub> nanoparticles while a slight increase is observed upon irradiation. Materials science ; Nanocomposite ; Crystallite ; Nanoparticle ; Coercivity ; X-ray photoelectron spectroscopy ; Irradiation ; Polymer ; Composite material ; Electron beam processing ; Ferromagnetism ; Chemical engineering ; Nanotechnology ; Metallurgy Polymer Nanocomposite Synthesis and Irradiation ; Polymer Nanocomposites and Properties ; Advancements in Battery Materials
Authors: Jonathan De Tovar | Rébecca Leblay | Yongxing Wang | Laurianne Wojcik | Aurore Thibon-Pourret | Marius Réglier | A. Jalila Simaan | Nicolas Le Poul | Catherine Belle
Source: Chemical Science (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Copper–oxygen adducts: new trends in characterization and properties towards C–H activation This review summarizes the latest discoveries in the field of C-H activation by copper monoxygenases and more particularly by their bioinspired systems. This work first describes the recent background on copper-containing enzymes along with additional interpretations about the nature of the active copper-oxygen intermediates. It then focuses on relevant examples of bioinorganic synthetic copper-oxygen intermediates according to their nuclearity (mono to polynuclear). This includes a detailed description of the spectroscopic features of these adducts as well as their reactivity towards the oxidation of recalcitrant C<sub>sp<sup>3</sup></sub> -H bonds. The last part is devoted to the significant expansion of heterogeneous catalytic systems based on copper-oxygen cores (<i>i.e.</i> within zeolite frameworks). Adduct ; Homogeneous ; Catalysis ; Copper ; Oxygen ; Characterization (materials science) ; Chemistry ; Combinatorial chemistry ; Materials science ; Nanotechnology ; Organic chemistry ; Thermodynamics Metal-Catalyzed Oxygenation Mechanisms ; Catalytic C–H Functionalization Methods ; Metal complexes synthesis and properties
Authors: Chuang Zhang | Chen Ye | Jiannian Yao | Li‐Zhu Wu
Source: National Science Review (article, 2024-07-18)
Field: Chemistry — Physical and Theoretical Chemistry

Spin-related excited-state phenomena in photochemistry The spin of electrons plays a vital role in chemical reactions and processes, and the excited state generated by the absorption of photons shows abundant spin-related phenomena. However, the importance of electron spin in photochemistry studies has been rarely mentioned or summarized. In this review, we briefly introduce the concept of spin photochemistry based on the spin multiplicity of the excited state, which leads to the observation of various spin-related photophysical properties and photochemical reactivities. Then, we focus on the recent advances in terms of light-induced magnetic properties, excited-state magneto-optical effects and spin-dependent photochemical reactions. The review aims to provide a comprehensive overview to utilize the spin multiplicity of the excited state in manipulating the above photophysical and photochemical processes. Finally, we discuss the existing challenges in the emerging field of spin photochemistry and future opportunities such as smart magnetic materials, optical information technology and spin-enhanced photocatalysis. Excited state ; Spin (aerodynamics) ; State (computer science) ; Photochemistry ; Atomic physics ; Materials science ; Physics ; Chemistry ; Thermodynamics ; Mathematics Photochemistry and Electron Transfer Studies ; Photoreceptor and optogenetics research ; Radical Photochemical Reactions
Authors: Liao Qiao | Xiangyu Gao | Kaile Ren | Chaorui Qiu | Jinfeng Liu | Haonan Jin | Shuxiang Dong | Zhuo Xu | Fei Li
Source: Nature Communications (article, 2024-01-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Designing transparent piezoelectric metasurfaces for adaptive optics Simultaneously generating various motion modes with high strains in piezoelectric devices is highly desired for high-technology fields to achieve multi-functionalities. However, traditional approach for designing multi-degrees-of-freedom systems is to bond together several multilayer piezoelectric stacks, which generally leads to cumbersome and complicated structures. Here, we proposed a transparent piezo metasurface to achieve various types of strains in a wide frequency range. As an example, we designed a ten-unit piezo metasurface, which can produce high strains (ε<sub>3</sub> = 0.76%), and generate linear motions along X-, Y- and Z-axis, rotary motions around X-, Y- and Z-axis as well as coupled modes. An adaptive lens based on the proposed piezo metasurface was demonstrated. It can realize a wide range of focal length (35.82 cm ~ ∞) and effective image stabilization with relatively large displacements (5.05 μm along Y-axis) and tilt angles (44.02' around Y-axis). This research may benefit the miniaturization and integration of multi-degrees-of-freedom systems. Miniaturization ; Piezoelectricity ; Degrees of freedom (physics and chemistry) ; Tilt (camera) ; Optics ; Lens (geology) ; Physics ; Range (aeronautics) ; Computer science ; Optical axis ; Optoelectronics ; Acoustics ; Materials science ; Nanotechnology ; Mechanical engineering ; Engineering Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Advanced Materials and Mechanics
Authors: Maha A. Alqarni | A. Rajeh
Source: Results in Physics (article, 2024-11-14)
Field: Materials Science — Polymers and Plastics

Optimizing the structural, optical, dielectric, and electrical properties of polyvinyl alcohol/polyvinyl pyrrolidone/zinc manganite nanocomposites for optical and energy storage applications • ZnMn 2 O 4 NPs prepared by using hydrothermal method. • Nanocomposites films of PVA/PVP-ZnMn 2 O 4 nanocomposite were successfully prepared by casting method. • The dielectric properties of the PVA/PVP-ZnMn 2 O 4 samples are improved. • The PVA/PVP-ZnMn 2 O 4 samples were suggested to be used in optical and energy storage devices. This study investigates the structural, dielectric, optical, and electrical properties of eco-friendly polyvinyl alcohol (PVA) and polyvinyl pyrrolidone (PVP) matrices embedded with zinc manganite nanoparticles (ZnMn 2 O 4 NPs). The nanocomposites films were prepared using a casting method for potential applications in flexible electrochemical devices. FTIR spectroscopy confirmed the successful incorporation of ZnMn 2 O 4 NPs into the polymeric matrix. UV–Vis absorption analysis revealed an increase in absorbance with increasing ZnMn 2 O 4 nanoparticle content. Among the various blend nanocomposites, the lowest bandgap energy was observed for the sample containing 2.5 %ZnMn 2 O 4 NPs. Measurements of electrical conductivity, dielectric characteristics, and complex impedance were made for all prepared films. The findings showed that as frequency and nanofiller concentration increased, so did AC conductivity and dielectric characteristics. Overall, the PVA/PVP-2.5 % ZnMn 2 O 4 nanocomposite exhibited superior properties compared to the pure polymer blend. This sample demonstrated optimal electrical conductivity and dielectric constant. These findings suggest that by carefully adjusting the ZnMn 2 O 4 concentration, it is possible to fine-tune the dielectric, optical, and electrical properties of these nanocomposite films. This versatility offers promising potential for applications in optoelectronic devices, energy storage devices, and nanodielectric materials. Polyvinyl alcohol ; Nanocomposite ; Materials science ; Dielectric ; Energy storage ; Zinc ; Manganite ; Chemical engineering ; Composite material ; Optoelectronics ; Metallurgy ; Physics Polymer Nanocomposite Synthesis and Irradiation ; Dielectric materials and actuators ; Conducting polymers and applications
Authors: Abdelqader El Guerraf | Imane Ziani | S. Ben Jadi | Ali El Bachiri | M. Bazzaoui | E.A. Bazzaoui | Farooq Sher
Source: Comprehensive Reviews in Food Science and Food Safety (review, 2024-10-22)
Field: Materials Science — Polymers and Plastics

Smart conducting polymer innovations for sustainable and safe food packaging technologies Biofilm formation on food packaging surfaces is a major issue in the industry, as it leads to contamination, reduces shelf life, and poses risks to human health. To mitigate these effects, developing smart coatings that can actively sense and combat microbial growth has become a critical research focus. This study is motivated by the need for intelligent packaging solutions that integrate antimicrobial agents and sensors for real-time contamination detection. It is hypothesized that combining conducting polymers (CPs) with nanomaterials can enhance antimicrobial efficacy while maintaining the mechanical integrity and environmental stability required for food packaging applications. Through the application of numerous technologies like surface modification, CP-nanoparticle integration, and multilayered coating, the antimicrobial performance and sensor capabilities of these materials were analyzed. Case studies showed a 90% inhibition of bacterial growth and a tenfold decrease in viable bacterial counts with AgNPs incorporation, extending strawberries' shelf life by 40% and maintaining fish freshness for an additional 5 days. Moreover, multilayered CP coatings in complex systems have been shown to reduce oxidative spoilage in nuts and dried fruits by up to 85%, while maintaining the quality of leafy greens for up to 3 weeks under suboptimal conditions. Environmental assessments indicated a 30% reduction in carbon footprint when CP coatings were combined with biodegradable polymers, contributing to a more transparent and reliable food supply chain. CP-based films integrated with intelligent sensors exhibit high sensitivity, detecting ammonia concentrations below 500 ppb, and offer significant selectivity for sensing hazardous gases. These findings indicate that CP-based smart coatings markedly enhance food safety and sustainability in packaging applications. Active packaging ; Food packaging ; Shelf life ; Food spoilage ; Food safety ; Coating ; Nanotechnology ; Bacterial growth ; Contamination ; Biochemical engineering ; Environmental science ; Materials science ; Food science ; Chemistry ; Engineering Conducting polymers and applications ; Nanocomposite Films for Food Packaging ; Advanced Sensor and Energy Harvesting Materials
Authors: Xing Liu | Hao Wang | Cheng Liu | Jingwen Chen | Zhenyu Zhou | Shuguang Deng | Jun Wang
Source: Chem & Bio Engineering (review, 2024-04-10)
Field: Chemistry — Inorganic Chemistry

Recent Advances of Multidentate Ligand-Based Anion-Pillared MOFs for Enhanced Separation and Purification Processes As an important subclass of metal-organic frameworks (MOFs), anion-pillars MOFs (APMOFs) have recently exhibited exceptional performances in separation and purification processes. The adjustment of pore sizes and environments of APMOFs can be finely tuned through judicious combination of organic ligands, anion pillars, and metal ions. Compared to widely investigated anion pillars, organic ligands are more crucial as they allow for a broader range of pore sizes and environments at the nanometer scale. Furthermore, different from the bidentate ligand-based APMOFs that typically form three-dimensional (3D) frameworks with <i><b>pcu</b></i> topology, APMOFs constructed using multidentate nitrogen(N)-containing ligands (with a coordination number ≥ 3) offer opportunities to create APMOFs with diverse topologies. The larger dimensions and possible distortion of multidentate N-containing ligands prove advantageous for addressing multi-component hydrocarbon separations encompassing a broad spectrum of dynamic diameters. Therefore, this Review summarizes the structural characteristics of multidentate ligand-based APMOFs and their enhanced performances for gas separation and purification processes. Additionally, it discusses current challenges and prospects associated with constructing multidentate ligand-based APMOFs while providing prospects. This critical review will provide valuable insights and guides for designing and developing advanced multidentate ligand-based APMOF adsorbents. Denticity ; Ligand (biochemistry) ; Ion ; Chemistry ; Materials science ; Combinatorial chemistry ; Crystallography ; Organic chemistry ; Crystal structure ; Receptor ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Chemical Synthesis and Characterization
Authors: Pengyun Li | Xin Jiang | Ruirui Gu | He Tian | Da‐Hui Qu
Source: Angewandte Chemie International Edition (article, 2024-06-03)
Field: Chemistry — Organic Chemistry

Catalyst‐Free Dynamic Covalent C=C/C=N Metathesis Reaction for Associative Covalent Adaptable Networks Covalent adaptable networks (CANs), leveraging the dynamic exchange of covalent bonds, emerge as a promising material to address the challenge of irreversible cross-linking in thermosetting polymers. In this work, we explore the introduction of a catalyst-free and associative C=C/C=N metathesis reaction into thermosetting polyurethanes, creating CANs with superior stability, solvent resistance, and thermal/mechanical properties. By incorporating this dynamic exchange reaction, stress-relaxation is significantly accelerated compared to imine-bond-only networks, with the rate adjustable by modifying substituents in the ortho position of the dynamic double bonds. The obtained plasticity enables recycle without altering the chemical structure or mechanical properties, and is also found to be vital for achieving shape memory functions with complex spatial structures. This metathesis reaction as a new dynamic crosslinker of polymer networks has the potential to accelerate the ongoing exploration of malleable and functional thermoset polymers. Covalent bond ; Dynamic covalent chemistry ; Catalysis ; Metathesis ; Chemistry ; Associative property ; Organic chemistry ; Molecule ; Supramolecular chemistry Synthetic Organic Chemistry Methods ; Covalent Organic Framework Applications ; Polymer composites and self-healing