jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Léa Guerassimoff | Marianne Ferrere | Amaury Bossion | Julien Nicolas
Source: Chemical Society Reviews (review, 2024-01-01)
Field: Chemistry — Organic Chemistry

Stimuli-sensitive polymer prodrug nanocarriers by reversible-deactivation radical polymerization Polymer prodrugs are based on the covalent linkage of therapeutic molecules to a polymer structure which avoids the problems and limitations commonly encountered with traditional drug-loaded nanocarriers in which drugs are just physically entrapped (<i>e.g.</i>, burst release, poor drug loadings). In the past few years, reversible-deactivation radical polymerization (RDRP) techniques have been extensively used to design tailor-made polymer prodrug nanocarriers. This synthesis strategy has received a lot of attention due to the possibility of fine tuning their structural parameters (<i>e.g.</i>, polymer nature and macromolecular characteristics, linker nature, physico-chemical properties, functionalization, <i>etc.</i>), to achieve optimized drug delivery and therapeutic efficacy. In particular, adjusting the nature of the drug-polymer linker has enabled the easy synthesis of stimuli-responsive polymer prodrugs for efficient spatiotemporal drug release. In this context, this review article will give an overview of the different stimuli-sensitive polymer prodrug structures designed by RDRP techniques, with a strong focus on the synthesis strategies, the macromolecular architectures and in particular the drug-polymer linker, which governs the drug release kinetics and eventually the therapeutic effect. Their biological evaluations will also be discussed. Prodrug ; Nanocarriers ; Chemistry ; Polymer ; Drug ; Kinetics ; Combinatorial chemistry ; Polymerization ; Radical polymerization ; Drug delivery ; Organic chemistry ; Pharmacology ; Biochemistry Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Nanoparticle-Based Drug Delivery
Authors: Terri C. Lovell | Bruce P. Branchaud | Ramesh Jasti
Source: European Journal of Organic Chemistry (article, 2024-01-11)
Field: Materials Science — Materials Chemistry

An Organic Chemist's Guide to Fluorophores – Understanding Common and Newer Non‐Planar Fluorescent Molecules for Biological Applications Abstract Labeling and detection of biomolecules in vitro and in vivo is essential to many areas of biomedical science. Fluorophores stand as indispensable tools within chemical biology, underscoring the importance of fine‐tuning their optical properties. This review focuses on methods for optimizing emission wavelength, quantum yield and photostability. We focus not just on the trends, but the fundamental physical organic chemistry concepts that inform the connection between molecular structure and fluorescent properties. This approach offers an essential understanding of fluorescence, enabling readers to develop a systematic analytical framework for thinking about fluorescence. Furthermore, an evaluation of newer non‐planar fluorophores shines light on the bright future of fluorescent molecules. Fluorescence ; Biomolecule ; Nanotechnology ; Chemistry ; Materials science ; Physics ; Optics Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Click Chemistry and Applications
Authors: Ioannis Karnis | Fanourios Krasanakis | Labrini Sygellou | Anastassia N. Rissanou | K. Karatasos | Kiriaki Chrissopoulou
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Varying the degree of oxidation of graphite: effect of oxidation time and oxidant mass In this work, we employ a fast and less toxic modified Hummers' method to develop graphene oxide (GO) with varying degrees of oxidation and investigate the effect of the latter on the structure and the thermal properties of the synthesized materials. Two different key parameters, the time of the oxidation reaction and the mass of the oxidation agent, were systematically altered in order to fine tune the oxidation degree. All graphene oxides were characterized by a plethora of experimental techniques, like X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) as well as infrared spectroscopy (IR) and X-ray photoelectron spectroscopy (XPS) for their structural, thermal and chemical identification. The results revealed that for a certain amount of oxidant, the time does not affect the final degree of oxidation of the materials, at least for the examined reaction times, because very similar structural patterns and thermal properties were obtained. At the same time, the oxygen-containing functional groups were found very similar. On the other hand, the degree of oxidation was found highly dependent on the mass of the oxidizing agent. XRD analysis showed a systematic increase of the interlayer distance of the synthesized GOs with the increase of the oxidant mass, whereas both the enthalpy of reduction and the % weight loss were increased. Moreover, XPS measurements provided a quantitative evaluation of the amount of carbon and oxygen in the materials; the increase of the oxidant mass led to a decrease of the total carbon content with the concurrent increase of the total oxygen amount. Graphite ; Degree (music) ; Redox ; Chemistry ; Inorganic chemistry ; Organic chemistry ; Physics Graphene research and applications ; Graphite, nuclear technology, radiation studies ; Fiber-reinforced polymer composites
Authors: Jack A. Davies | Tanya K. Ronson | Jonathan R. Nitschke
Source: Journal of the American Chemical Society (article, 2024-02-13)
Field: Materials Science — Biomaterials

Triamine and Tetramine Edge-Length Matching Drives Heteroleptic Triangular and Tetragonal Prism Assembly Heteroleptic metal-organic capsules, which incorporate more than one type of ligand, can provide enclosed, anisotropic interior cavities for binding low-symmetry molecules of biological and industrial importance. However, the selective self-assembly of a single mixed-ligand architecture, as opposed to the numerous other possible self-assembly outcomes, remains a challenge. Here, we develop a design strategy for the subcomponent self-assembly of heteroleptic metal-organic architectures with anisotropic internal void spaces. Zn<sub>6</sub>Tet<sub>3</sub>Tri<sub>2</sub> triangular prismatic and Zn<sub>8</sub>Tet<sub>2</sub>Tet'<sub>4</sub> tetragonal prismatic architectures were prepared through careful matching of the side lengths of the tritopic (Tri) or tetratopic (Tet, Tet') and panels. Chemistry ; Tetramine ; Tetragonal crystal system ; Enhanced Data Rates for GSM Evolution ; Prism ; Triangular prism ; Crystallography ; Physical chemistry ; Geometry ; Optics ; Crystal structure ; Physics Supramolecular Self-Assembly in Materials ; Supramolecular Chemistry and Complexes ; Chemical Synthesis and Analysis
Authors: Poorvika Badiger | V. S. Mannur | Rahul Koli
Source: Future Journal of Pharmaceutical Sciences (article, 2024-03-11)
Field: Materials Science — Biomaterials

Dual drug-loaded cubosome nanoparticles for hepatocellular carcinoma: a design of experiment approach for optimization and in vitro evaluation Abstract Background Liver cancer, a formidable and complex disease, poses a significant global health threat, stemming from various causes, including chronic infections like hepatitis B and C, cirrhosis, and lifestyle factors. In liver cancer treatment, targeted delivery revolutionizes precision therapy, minimizing side effects by directing drugs specifically to cancer cells. This study aims to develop and statistically optimize cubosomal formulations containing piperine and quercetin with the goal of augmenting their activity against hepatocellular carcinoma. Results Employing a central-composite design, we utilized Design-Expert® software to guide the experiment. The key formulation variables were the concentration of glyceryl monooleate (GMO) and Poloxamer-407, while the dependent responses were particle size (PS) and entrapment efficiency (EE%). The optimized cubosomal formulation was validated through the utilization of high-resolution transmission electron microscopy (HR-TEM), in vitro release studies, and an in vitro cell proliferation assay conducted on the HepG2 cell line. High-performance liquid chromatography was employed for the determination of piperine and quercetin in the optimized cubosomal nanoparticle. The optimized formulation had a composition of 2.5 (w/w%) GMO and 0.5 (w/w%) Poloxamer 407. The predicted values for PS and EE% were 102.34 and 75.11%, respectively. The cytotoxicity of the optimized cubosomal formulation exhibited enhanced efficacy on the HepG2 cancer cell line, even at lower concentrations, when compared to the standard. Notably, it demonstrated a superior cytotoxic effect on the liver cancer cell line. Conclusion The findings of the study indicated that cubosomes exhibit promise as an effective carrier for delivering piperine and quercetin, addressing hepatocellular carcinoma effectively. Graphical abstract Hepatocellular carcinoma ; In vitro ; Dual (grammatical number) ; Drug ; Nanoparticle ; Chemistry ; Pharmacology ; Computer science ; Medicine ; Cancer research ; Nanotechnology ; Materials science ; Biochemistry Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Cancer therapeutics and mechanisms
Authors: Yanchao Liu | Weijiong Dai | Jiajun Zheng | Yanze Du | Quanhua Wang | Niklas Hedin | Bo Qin | Ruifeng Li
Source: Advanced Science (article, 2024-07-08)
Field: Materials Science — Polymers and Plastics

Selective and Controllable Cracking of Polyethylene Waste by Beta Zeolites with Different Mesoporosity and Crystallinity Waste plastics bring about increasingly serious environmental challenges, which can be partly addressed by their interconversion into valuable compounds. It is hypothesized that the porosity and acidity of a zeolite-based catalyst will affect the selectivity and effectiveness, enabling a controllable and selective conversion of polyethylene (PE) into gas-diesel or lubricating base oil. A series of embryonic, partial- and well-crystalline zeolites beta with adjustable porosity and acidity are prepared from mesoporous SBA-15. The catalysts and catalytic systems are studied with nuclear magnetic resonance (NMR), X-ray diffraction (XRD), and adsorption kinetics and catalytic reactions. The adjustable porosity and acidity of zeolite-beta-based catalysts achieve a controllable selectivity toward gas-diesel or lubricating base oil for PE cracking. With a catalyst with mesopores and appropriate acid sites, a fast escape and reduced production of cracking of intermediates are observed, leading to a significant fraction (88.7%) of lubricating base oil. With more micropores, a high acid density, and strong acid strength, PE is multiply cracked into low carbon number hydrocarbons. The strong acid center of the zeolite is confirmed to facilitate significantly the activation of hydrogen (H<sub>2</sub>), and, an in situ ammonia poisoning strategy can significantly inhibit hydrogen transfer and effectively regulate the product distribution. Crystallinity ; Cracking ; Materials science ; Chemical engineering ; BETA (programming language) ; Polyethylene ; Waste management ; Composite material ; Computer science ; Engineering Polymer crystallization and properties ; Zeolite Catalysis and Synthesis ; Polymer Nanocomposites and Properties
Authors: Devika Tripathi | Prashant Pandey | Sakshi Sharma | Awani Kumar | Manjunatha Prabhu B.H
Source: Bioimpacts (review, 2024-11-02)
Field: Materials Science — Biomaterials

Advances in nanomaterials for precision drug delivery: Insights into pharmacokinetics and toxicity By integrating the cutting-edge principles of nanotechnology with medical science, nanomedicine offers unprecedented opportunities to develop advanced drug delivery systems that surpass the limitations of conventional therapies. These nanoscale systems are designed to enhance treatments' efficacy, specificity, and safety by optimizing pharmacokinetics and biodistribution, ensuring that therapeutic agents reach their intended targets with minimal side effects. The article provides an in-depth analysis of nanomaterials' pivotal role in overcoming challenges related to drug delivery, including the ability to bypass biological barriers, improve bioavailability, and achieve controlled release of drugs. Despite these promising advancements, the transition of nanomedicine from research to clinical practice faces significant hurdles. The review highlights key obstacles such as patient heterogeneity, physiological variability, and the complex ADME (Absorption, Distribution, Metabolism, Excretion) profiles of nanocarriers, which complicate treatment predictability and effectiveness. Moreover, the article addresses the issues of limited tissue penetration, variable patient responses, and the need for standardized protocols in nanomaterial characterization, all of which hinder the widespread clinical adoption of nanomedicine. Nevertheless, the potential of nanomedicine in revolutionizing personalized cancer therapy remains immense. The article advocates for increased translational research and international collaboration to overcome these challenges, paving the way for fully realizing nanomedicine's capabilities in precision oncology and beyond. Nanomedicine ; Nanocarriers ; Drug delivery ; Biodistribution ; ADME ; Nanotechnology ; Medicine ; Drug ; Pharmacology ; Risk analysis (engineering) ; Chemistry ; Materials science ; Nanoparticle Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Machine Learning in Materials Science
Authors: Shu‐Min Guo | Pengwei Xu | Armido Studer
Source: Angewandte Chemie International Edition (article, 2024-04-18)
Field: Chemistry — Organic Chemistry

<i>Meta</i>‐Selective Copper‐Catalyzed C−H Arylation of Pyridines and Isoquinolines through Dearomatized Intermediates C(sp<sup>2</sup>)-H functionalization offers an efficient strategy for the synthesis of various elaborated N-containing heteroarenes. Along these lines, oxazino pyridines that can be readily prepared from pyridines, have been introduced as powerful substrates in radical- and ionic-mediated meta-C-H functionalization. However, the regioselective meta-C-H arylation of pyridines remains a great challenge. Herein, a copper-catalyzed meta-selective C-H arylation of pyridines and isoquinolines through bench-stable dearomatized intermediates is reported. Electrophilic aryl-Cu(III) species, generated from readily accessible aryl I(III) reagents, enable the efficient meta-arylation of a broad range of pyridines and isoquinolines. The method also allows the meta-selective alkenylation of these heteroarenes using the corresponding alkenyl I(III)-reagents. Late-stage arylation of drug-derived pyridines and larger-scale experiments demonstrate the potential of this synthetic methodology. Chemistry ; Reagent ; Aryl ; Regioselectivity ; Electrophile ; Catalysis ; Combinatorial chemistry ; Surface modification ; Copper ; Organic chemistry ; Alkyl Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Radical Photochemical Reactions
Authors: Alfonso J. Carrillo | Andrés López‐García | Blanca Delgado-Galicia | José M. Serra
Source: Chemical Communications (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

New trends in nanoparticle exsolution Many relevant high-temperature chemical processes require the use of oxide-supported metallic nanocatalysts. The harsh conditions under which these processes operate can trigger catalyst degradation <i>via</i> nanoparticle sintering, carbon depositions or poisoning, among others. This primarily affects metallic nanoparticles created <i>via</i> deposition methods with low metal-support interaction. In this respect, nanoparticle exsolution has emerged as a promising method for fabricating oxide-supported nanocatalysts with high interaction between the metal and the oxide support. This is due to the mechanism involved in nanoparticle exsolution, which is based on the migration of metal cations in the oxide support to its surface, where they nucleate and grow as metallic nanoparticles partially embedded in the oxide. This anchorage confers high robustness against sintering or coking-related problems. For these reasons, exsolution has attracted great interest in the last few years. Multiple works have been devoted to proving the high catalytic stability of exsolved metallic nanoparticles in several applications for high-temperature energy storage and conversion. Additionally, considerable attention has been directed towards understanding the underlying mechanism of metallic nanoparticle exsolution. However, this growing field has not been limited to these types of studies and recent discoveries at the forefront of materials design have opened new research avenues. In this work, we define six new trends in nanoparticle exsolution, taking a tour through the most important advances that have been recently reported. Nanomaterial-based catalyst ; Nanoparticle ; Catalysis ; Degradation (telecommunications) ; Oxide ; Nanotechnology ; Materials science ; Metal ; Chemical engineering ; Chemistry ; Computer science ; Metallurgy ; Engineering ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electronic and Structural Properties of Oxides
Authors: Monika Ghalawat | Daniel Feferman | Lucas V. Besteiro | Wanting He | Artur Movsesyan | Alina Muravitskaya | Jesús Valdez | Audrey Moores | Zhiming Wang | Dongling Ma | Alexander O. Govorov | Gil Markovich
Source: ACS Nano (article, 2024-10-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Chiral Symmetry Breaking in Colloidal Metal Nanoparticle Solutions by Circularly Polarized Light Shape symmetry breaking in the formation of inorganic nanostructures is of significant current interest. It was typically achieved through the growth of colloidal nanoparticles with adsorbed chiral molecules. Photochemical processes induced through asymmetric plasmon excitation by circularly polarized light in surface immobilized nanostructures also led to symmetry breaking. Here, we show that chiral symmetry breaking can be achieved by randomly rotating gold@silver core-shell nanobars in colloidal solution using circularly polarized illumination, where orientational averaging does not eliminate the symmetry breaking of an asymmetric plasmon-induced galvanic replacement reaction. Different morphological effects that are produced by circularly vs linearly polarized light illumination demonstrate the intricate effect of light polarization on the localized plasmonic-induced photochemical response. The essential features of this symmetry breaking, such as illumination wavelength dependence, were reproduced by simulations of circularly polarized light-excited-plasmon-induced hot-electron generation as the source for asymmetric metal deposition. The symmetry breaking becomes smaller in more symmetric geometrical shapes, such as triangular nanoprisms and nanocubes, and down to zero in spherical ones. The degree of symmetry breaking rises when the nanobars are immobilized on a substrate and illuminated from a single direction. Nanoparticle ; Symmetry breaking ; Materials science ; Colloid ; Circular polarization ; Chirality (physics) ; Colloidal particle ; Nanotechnology ; Metal ; Chiral symmetry breaking ; Symmetry (geometry) ; Chemical physics ; Optics ; Physics ; Chemistry ; Nambu–Jona-Lasinio model ; Physical chemistry ; Quantum mechanics ; Geometry Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy and Quantum Chemical Studies ; Orbital Angular Momentum in Optics
Authors: Jianhua Huang | Ziwei Li | Youliang Zhu | Liuli Yang | Xiao Lin | Yi Li | Yizhe Wang | Yazhou Wang | Yi Fu | Weidong Xu | Ming Huang | Dong Li | Anlian Pan
Source: Advanced Materials (article, 2024-09-12)
Field: Materials Science — Materials Chemistry

Monolithic Integration of Full‐Color Microdisplay Screen with Sub‐5 µm Quantum‐Dot Pixels Monolithic integration of color-conversion materials onto blue-backlight micro-light-emitting-diodes (micro-LEDs) has emerged as a promising strategy for achieving full-color microdisplay devices. However, this approach still encounters challenges such as the blue-backlight leakage and the poor fabrication yield rate due to unsatisfied quantum dot (QD) material and fabrication process. Here, the monolithic integration of 0.39-inch micro-display screens displaying colorful pictures and videos are demonstrated, which are enabled by creating interfacial chemical bonds for wafer-scale adhesion of sub-5 µm QD-pixels on blue-backlight micro-LED wafer. The ligand molecule with chlorosulfonyl and silane groups is selected as the synthesis ligand and surface treatment material, facilitating the preparation of high-efficiency QD photoresist and the formation of robust chemical bonds for pixel integration. This is a leading record in micro-display devices achieving the highest brightness larger than 400 thousand nits, the ultrahigh resolution of 3300 PPI, the wide color gamut of 130.4% NTSC, and the ultimate performance of service life exceeding 1000 h. These results extend the mature integrated circuit technique into the manufacture of micro-display device, which also lead the road of industrialization process of full-color micro-LEDs. Full color ; Materials science ; Pixel ; Quantum dot ; Optoelectronics ; Optics ; Physics Quantum Dots Synthesis And Properties ; Semiconductor Lasers and Optical Devices ; Photonic Crystals and Applications
Authors: Sina Sadeghi | Richard B. Canty | Nikolai Mukhin | Jinge Xu | Fernando Delgado‐Licona | Milad Abolhasani
Source: ACS Sustainable Chemistry & Engineering (article, 2024-08-06)
Field: Materials Science — Materials Chemistry

Engineering a Sustainable Future: Harnessing Automation, Robotics, and Artificial Intelligence with Self-Driving Laboratories The accelerating depletion of natural resources undoubtedly demands a radical reevaluation of research practices addressing the escalating climate crisis. From traditional approaches to modern-day advancements, the integration of automation and artificial intelligence (AI)-guided decision-making has emerged as a transformative route in shaping new research methodologies. Harnessing robotics and high-throughput automation alongside intelligent experimental design, self-driving laboratories (SDLs) offer an innovative solution to expedite chemical/materials research timelines while significantly reducing the carbon footprint of scientific endeavors, which could be utilized to not only generate green materials but also make the research process itself more sustainable. In this Perspective, we examine the potential of SDLs in driving sustainability forward through case studies in materials discovery and process optimization, thereby paving the way for a greener and more efficient future. While SDLs hold an immense promise, we discuss the challenges that persist in their development and deployment, necessitating a holistic approach to sustainability in both design and implementation. Sustainability ; Transformative learning ; Automation ; Robotics ; Software deployment ; Process (computing) ; Carbon footprint ; Artificial intelligence ; Computer science ; Timeline ; Robot ; Systems engineering ; Engineering management ; Engineering ; Management science ; Greenhouse gas ; Software engineering ; Sociology Machine Learning in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation ; Biosensors and Analytical Detection