jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Catalina V. Flores | Andy Machín-Garriga | Juan L. Obeso | J. Gabriel Flores | Ilich A. Ibarra | Nora S. Portillo‐Vélez | Carolina Leyva | Ricardo A. Peralta
Source: Dalton Transactions (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Room-temperature synthesis of bimetallic ZnCu-MOF-74 as an adsorbent for tetracycline removal from an aqueous solution The novel bimetallic MOF, ZnCu-MOF-74, has been evaluated for the remediation of tetracycline-contaminated water. ZnCu-MOF-74 was obtained at room temperature, avoiding high pressure and temperature. ZnCu-MOF-74 exhibited chemical stability in the 4-8 pH range. The adsorption result analysis was described using the Elovich kinetic model and the Langmuir adsorption isotherm, suggesting a physicochemical process. The maximum adsorption capacity was estimated at 775.66 mg g<sup>-1</sup>. The pH of the solution and the presence of ions such as NO<sub>3</sub><sup>-</sup>, SO<sub>4</sub><sup>2-</sup>, Na<sup>+</sup>, Mg<sup>2+</sup>, Cl<sup>-</sup>, and Ca<sup>2+</sup> had no influence on the removal of tetracycline. In addition, π-interactions and metal complexation were proposed as possible adsorption mechanisms through FT-IR and XPS. ZnCu-MOF-74 showed outstanding cyclability performance, preserving its adsorption capacity after 4 adsorption-desorption cycles, besides exhibiting chemical stability, proving the benefits of applying ZnCu-MOF-74 in the water treatment process. Bimetallic strip ; Adsorption ; Aqueous solution ; Tetracycline ; Chemistry ; Chemical engineering ; Nuclear chemistry ; Organic chemistry ; Biochemistry ; Catalysis ; Antibiotics Metal-Organic Frameworks: Synthesis and Applications ; Inorganic Fluorides and Related Compounds ; Gas Sensing Nanomaterials and Sensors
Authors: Björn Benneke | Pierre-Alexis Roy | Louis-Philippe Coulombe | Michael Radica | Caroline Piaulet | Eva-Maria Ahrer | Raymond T. Pierrehumbert | Joshua Krissansen‐Totton | Hilke E. Schlichting | Renyu Hu | Jeehyun Yang | Duncan Christie | Daniel Thorngren | Edward Young | Stefan Pelletier | Heather A. Knutson | Yamila Miguel | T. M. Evans | Caroline Dorn | Anna Gagnebin | Jonathan J. Fortney | Thaddeus D. Komacek | Ryan J. MacDonald | Eshan Raul | Ryan Cloutier | L. Acuña | David Lafreniére | Charles Cadieux | René Doyon | Luis Welbanks | Romain Allart
Source: arXiv (Cornell University) (preprint, 2024-03-05)
Field: Chemistry — Spectroscopy

JWST Reveals CH$_4$, CO$_2$, and H$_2$O in a Metal-rich Miscible Atmosphere on a Two-Earth-Radius Exoplanet Even though sub-Neptunes likely represent the most common outcome of planet formation, their natures remain poorly understood. In particular, planets near 1.5-2.5$\,R_\oplus$ often have bulk densities that can be explained equally well with widely different compositions and interior structures, resulting in grossly divergent implications for their formation. Here, we present the full 0.6-5.2$\,μ\mathrm{m}$ JWST NIRISS/SOSS+NIRSpec/G395H transmission spectrum of the 2.2$\,R_\oplus$ TOI-270d ($4.78\,M_\oplus$, $T_\mathrm{eq}$=350-380 K), delivering unprecedented sensitivity for atmospheric characterization in the sub-Neptune regime. We detect five vibrational bands of CH$_4$ at 1.15, 1.4, 1.7, 2.3, and 3.3$\,μ$m (9.4$σ$), the signature of CO$_2$ at 4.3$\,μ$m (4.8$σ$), water vapor (2.5$σ$), and potential signatures of SO$_2$ at 4.0$\,μ\mathrm{m}$ and CS$_2$ at 4.6$\,μ\mathrm{m}$. Intriguingly, we find an overall highly metal-rich atmosphere, with a mean molecular weight of $5.47_{-1.14}^{+1.25}$. We infer an atmospheric metal mass fraction of $58_{-12}^{+8}\%$ and a C/O of $0.47_{-0.19}^{+0.16}$, indicating that approximately half the mass of the outer envelope is in high-molecular-weight volatiles (H$_2$O, CH$_4$, CO, CO$_2$) rather than H$_2$/He. We introduce a sub-Neptune classification scheme and identify TOI-270d as a "miscible-envelope sub-Neptune" in which H$_2$/He is well-mixed with the high-molecular-weight volatiles in a miscible supercritical metal-rich envelope. For a fully miscible envelope, we conclude that TOI-270d's interior is $90_{-4}^{+3}\,$wt$\,\%$ rock/iron, indicating that it formed as a rocky planet that accreted a few wt % of H$_2$/He, with the overall envelope metal content explained by magma-ocean/envelope reactions without the need for significant ice accretion. TOI-270d may well be an archetype of the overall population of sub-Neptunes. Exoplanet ; Atmosphere (unit) ; RADIUS ; Earth (classical element) ; Metal ; Astrobiology ; Earth radius ; Materials science ; Planet ; Astrophysics ; Physics ; Thermodynamics ; Astronomy ; Metallurgy ; Nuclear physics Spectroscopy and Laser Applications
Authors: Tobias Bauer | Leon Simić | Joachim F. R. Van Guyse | Aroa Duro‐Castaño | Vicent J. Nebot | Matthias Barz
Source: Progress in Polymer Science (article, 2024-09-24)
Field: Materials Science — Biomaterials

Polypept(o)ides – Origins, synthesis, applications and future directions Polypept(o)ides combine the stealth-like properties of polypeptoids such as polysarcosine (poly( N -methyl glycine), pSar) with the multifunctionality and intrinsic stimuli-responsiveness of synthetic polypeptides. This class of copolymers can be synthesized by controlled living ring-opening polymerization of the corresponding α-amino acid N -carboxyanhydrides (NCAs) and N -substituted glycine N -carboxyanhydrides (NNCAs). When the polymerization is performed under clean conditions, the resulting copolymers are characterized by high end-group fidelity and Poisson-like molecular weight distributions with dispersities below 1.2. While pSar might be able to tackle most of the current concerns of poly(ethylene glycol) (PEG), e.g. , acute immune responses, the polypeptide part can provide a plethora of reactivity or functionality, allowing to tailor the polymer for specific tasks. In this review, we provide an overview on the origins of NCA polymerization and polypept(o)ides and provide a detailed overview on the last decade of research focusing on synthesis, characterization, and application. Arguably the biggest applicational progress for polypept(o)ides has been made in nanomedicine. Here, the remarkable combination of functionality, biocompatibility and a high degree of synthetic control has led to established protocols for the certified production of polypept(o)ides, which will enable the rapid clinical translation for the years to come. Nanotechnology ; Polymer science ; Materials science Nanoparticle-Based Drug Delivery ; Innovative Microfluidic and Catalytic Techniques Innovation ; Nanomaterials for catalytic reactions
Authors: Jinlei Li | Yongjie Xi | Yan Qiao | Zelun Zhao | Jianhua Liu | Fuwei Li
Source: ChemCatChem (article, 2024-04-01)
Field: Chemistry — Inorganic Chemistry

Solvent Effects on Heterogeneous Catalysis for the Selective Hydrogenation Abstract Solvent effects add a new dimension for tuning the activity and selectivity of heterogeneous catalytic reactions, which is extensively employed in the hydrogenation of unsaturated compounds with multiple functional groups. In this concept, we briefly summarize recent developments on how the solvent effects affect the catalytic performance from the following aspects: 1) the polarity of the solvent can influence the interaction between the solvent and the reactant or intermediate; 2) the composition of mixed solvent can influence the reactivity of the reactant or intermediate; 3) solvent effect varies with the metal identity and support; 4) the solvent can induce surface modification of the supported catalysts. This summarization will provide insights into the rational development of efficient and selective heterogeneous hydrogenation catalytic system to realize the precise synthesis of desired chemicals. Catalysis ; Solvent ; Chemistry ; Solvent effects ; Selectivity ; Reactivity (psychology) ; Combinatorial chemistry ; Automatic summarization ; Organic chemistry ; Heterogeneous catalysis Asymmetric Hydrogenation and Catalysis ; Catalysis for Biomass Conversion ; Nanomaterials for catalytic reactions
Authors: Boyu Zou | Yingxue Han | Zhihao Yang | Qinglin Wang | Guangyu Wang | Guozhao Zhang | Yinwei Li | Cailong Liu
Source: APL Materials (review, 2024-03-01)
Field: Materials Science — Materials Chemistry

Pressure-induced emission enhancement: A review The luminescent properties of some materials undergo significant changes under compression. High pressure generated by a diamond anvil cell (DAC) is often used as an external stimulus to explore the relationship between the structures and luminescent properties of materials, provide traceable color and structural changes, and quantify the environment in which the materials are located. Under high pressure, the luminous intensity or color of materials changes, which has important potential applications in fields such as safety detection, information storage, optoelectronic devices, and mechanical sensing. Recently, many phenomena of pressure-induced luminescence enhancement have been discovered in DAC, commonly referred to as pressure-induced emission enhancement. In this review, recent pressure-induced emission enhancement phenomena have been collected, and the role of pressure in promoting the luminescent enhancement of materials in DAC was revealed and discussed, which helps to design some materials with specific emission characteristics and provides a perspective for in-depth research on the photophysical behavior of materials. Materials science Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Luminescence Properties of Advanced Materials
Authors: Chao Liu | Zhixuan Wang | Hailong Wang | Jianzhuang Jiang
Source: Chemical Science (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Recent advances in porous organic cages for energy applications In recent years, the energy and environmental crises have attracted more and more attention. It is very important to develop new materials and technologies for energy storage and conversion. In particular, it is crucial to develop carriers that store energy or promote mass and electron transport. Emerging porous organic cages (POCs) are very suitable for this purpose because they have inherent advantages including structural designability, porosity, multifunction and post-synthetic modification. POC-based materials, such as pristine POCs, POC composites and POC derivatives also exhibit excellent energy-related properties. This latest perspective provides an overview of the progress of POC-based materials in energy storage and conversion applications, including photocatalysis, electrocatalysis (CO<sub>2</sub>RR, NO<sub>3</sub>RR, ORR, HER and OER), separation (gas separation and liquid separation), batteries (lithium-sulfur, lithium-ion and perovskite solar batteries) and proton conductivity, highlighting the unique advantages of POC-based materials in various forms. Finally, we summarize the current advances, challenges and further perspectives of POC-based materials in energy applications. This perspective will promote the design and synthesis of next-generation POC-based materials for energy applications. Porosity ; Energy (signal processing) ; Nanotechnology ; Materials science ; Computer science ; Chemistry ; Physics ; Organic chemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Duarte Nuno Carvalho | Cristiana Gonçalves | Rita O. Sousa | Rui L. Reis | Joaquím M. Oliveira | Tiago H. Silva
Source: Marine Biotechnology (review, 2024-09-10)
Field: Materials Science — Biomaterials

Extraction and Purification of Biopolymers from Marine Origin Sources Envisaging Their Use for Biotechnological Applications Biopolymers are a versatile and diverse class of materials that has won high interest due to their potential application in several sectors of the economy, such as cosmetics, medical materials/devices, and food additives. In the last years, the search for these compounds has explored a wider range of marine organisms that have proven to be a great alternative to mammal sources for these applications and benefit from their biological properties, such as low antigenicity, biocompatibility, and biodegradability, among others. Furthermore, to ensure the sustainable exploitation of natural marine resources and address the challenges of 3R's policies, there is a current necessity to valorize the residues and by-products obtained from food processing to benefit both economic and environmental interests. Many extraction methodologies have received significant attention for the obtention of diverse polysaccharides, proteins, and glycosaminoglycans to accomplish the increasing demands for these products. The present review gives emphasis to the ones that can be obtained from marine biological resources, as agar/agarose, alginate and sulfated polysaccharides from seaweeds, chitin/chitosan from crustaceans from crustaceans, collagen, and some glycosaminoglycans such as chondroitin sulfate and hyaluronic acids from fish. It is offered, in a summarized and easy-to-interpret arrangement, the most well-established extraction and purification methodologies used for obtaining the referred marine biopolymers, their chemical structure, as well as the characterization tools that are required to validate the extracted material and respective features. As supplementary material, a practical guide with the step-by-step isolation protocol, together with the various materials, reagents, and equipment, needed for each extraction is also delivered is also delivered. Finally, some remarks are made on the needs still observed, despite all the past efforts, to improve the current extraction and purification procedures to achieve more efficient and green methodologies with higher yields, less time-consuming, and decreased batch-to-batch variability. Biochemical engineering ; Biology ; Biotechnology ; Nanocellulose ; Marine conservation ; Biocompatibility ; Nanotechnology ; Biochemistry ; Ecology ; Chemistry ; Materials science ; Engineering ; Organic chemistry ; Cellulose Collagen: Extraction and Characterization ; Seaweed-derived Bioactive Compounds ; Protein Hydrolysis and Bioactive Peptides
Authors: Torsten Dünnebacke | Niklas Niemeyer | Sebastian Baumert | Sebastian Hochstädt | Lorenz Borsdorf | Michael Ryan Hansen | Johannes Neugebauer | Gustavo Fernández
Source: Nature Communications (article, 2024-07-07)
Field: Materials Science — Biomaterials

Molecular and supramolecular adaptation by coupled stimuli Adaptation transcends scale in both natural and artificial systems, but delineating the causative factors of this phenomenon requires urgent clarification. Herein, we unravel the molecular requirements for adaptation and establish a link to rationalize adaptive behavior on a self-assembled level. These concepts are established by analyzing a model compound exhibiting both light- and pH-responsive units, which enable the combined or independent application of different stimuli. On a molecular level, adaptation arises from coupled stimuli, as the final outcome of the system depends on their sequence of application. However, in a self-assembled state, a single stimulus suffices to induce adaptation as a result of collective molecular behavior and the reversibility of non-covalent interactions. Our findings go beyond state-of-the-art (multi)stimuli-responsive systems and allow us to draw up design guidelines for adaptive behavior both at the molecular and supramolecular levels, which are fundamental criteria for the realization of intelligent matter. Adaptation (eye) ; Computer science ; Supramolecular chemistry ; Realization (probability) ; Stimulus (psychology) ; Cognitive science ; Nanotechnology ; Neuroscience ; Chemistry ; Cognitive psychology ; Biology ; Materials science ; Psychology ; Molecule Supramolecular Self-Assembly in Materials ; Photoreceptor and optogenetics research ; Cephalopods and Marine Biology
Authors: Qiyi Fang | Kongyang Yi | Tianshu Zhai | Shisong Luo | Chen-yang Lin | Qing Ai | Yifan Zhu | Boyu Zhang | Gustavo A. Alvarez | Yanjie Shao | Haolei Zhou | Guanhui Gao | Yifeng Liu | Rui Xu | Xiang Zhang | Y. P. Wang | Xiaoyin Tian | Honghu Zhang | Yimo Han | Hanyu Zhu | Yuji Zhao | Zhiting Tian | Zhong Yu | Zheng Liu | Jun Lou
Source: Nature Communications (article, 2024-12-30)
Field: Materials Science — Materials Chemistry

High-performance 2D electronic devices enabled by strong and tough two-dimensional polymer with ultra-low dielectric constant As the feature size of microelectronic circuits is scaling down to nanometer order, the increasing interconnect crosstalk, resistance-capacitance (RC) delay and power consumption can limit the chip performance and reliability. To address these challenges, new low-k dielectric (k < 2) materials need to be developed to replace current silicon dioxide (k = 3.9) or SiCOH, etc. However, existing low-k dielectric materials, such as organosilicate glass or polymeric dielectrics, suffer from poor thermal and mechanical properties. Two-dimensional polymers (2DPs) are considered promising low-k dielectric materials because of their good thermal and mechanical properties, high porosity and designability. Here, we report a chemical-vapor-deposition (CVD) method for growing fluoride rich 2DP-F films on arbitrary substrates. We show that the grown 2DP-F thin films exhibit ultra-low dielectric constant (in plane k = 1.85 and out-of-plane k = 1.82) and remarkable mechanical properties (Young's modulus > 15 GPa). We also demonstrated the improved performance of monolayer MoS<sub>2</sub> field-effect-transistors when utilizing 2DP-F thin films as dielectric substrates. Dielectric ; Materials science ; Constant (computer programming) ; Polymer ; High-κ dielectric ; Optoelectronics ; Nanotechnology ; Condensed matter physics ; Engineering physics ; Composite material ; Computer science ; Physics Graphene research and applications ; Advanced Sensor and Energy Harvesting Materials ; 2D Materials and Applications
Authors: Abdulrahman A. Almehizia | Wael M. Aboulthana | Ahmed M. Naglah | Ashraf S. Hassan
Source: RSC Advances (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

<i>In vitro</i> biological studies and computational prediction-based analyses of pyrazolo[1,5- <i>a</i> ]pyrimidine derivatives There is a need for new pharmaceutical discoveries from bioactive nitrogenous derivatives due to the emergence of scourges, numerous pandemics, and diverse health problems. In this context, pyrazolo[1,5-<i>a</i>]pyrimidine derivatives 12a and 12b were synthesized and screened to evaluate their biological potentials <i>in vitro</i> as antioxidants, anti-diabetics, anti-Alzheimer's, anti-arthritics, and anti-cancer agents. Additionally, the computational pharmacokinetic and toxicity properties of the two pyrazolo[1,5-<i>a</i>]pyrimidines 12a and 12b were calculated and analyzed. The preliminary studies and results of this work represent the initial steps toward more advanced studies and define the bioactive chemical structure of pyrazolo[1,5-<i>a</i>]pyrimidine derivatives with the goal of exploring new drugs to address numerous health problems. Pyrimidine ; Context (archaeology) ; Combinatorial chemistry ; In vitro ; Chemistry ; Computational chemistry ; Stereochemistry ; Biochemistry ; Biology Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Multicomponent Synthesis of Heterocycles
Authors: Eszter Kozma | Péter Kele
Source: Topics in Current Chemistry (review, 2024-02-24)
Field: Chemistry — Organic Chemistry

Bioorthogonal Reactions in Bioimaging Abstract Visualization of biomolecules in their native environment or imaging-aided understanding of more complex biomolecular processes are one of the focus areas of chemical biology research, which requires selective, often site-specific labeling of targets. This challenging task is effectively addressed by bioorthogonal chemistry tools in combination with advanced synthetic biology methods. Today, the smart combination of the elements of the bioorthogonal toolbox allows selective installation of multiple markers to selected targets, enabling multicolor or multimodal imaging of biomolecules. Furthermore, recent developments in bioorthogonally applicable probe design that meet the growing demands of superresolution microscopy enable more complex questions to be addressed. These novel, advanced probes enable highly sensitive, low-background, single- or multiphoton imaging of biological species and events in live organisms at resolutions comparable to the size of the biomolecule of interest. Herein, the latest developments in bioorthogonal fluorescent probe design and labeling schemes will be discussed in the context of in cellulo/in vivo (multicolor and/or superresolved) imaging schemes. The second part focuses on the importance of genetically engineered minimal bioorthogonal tags, with a particular interest in site-specific protein tagging applications to answer biological questions. Bioorthogonal chemistry ; Toolbox ; Biomolecule ; Context (archaeology) ; Nanotechnology ; Chemistry ; Bioconjugation ; Synthetic biology ; Computer science ; Computational biology ; Click chemistry ; Combinatorial chemistry ; Biology Click Chemistry and Applications ; Advanced Biosensing Techniques and Applications ; Advanced Fluorescence Microscopy Techniques
Authors: Yao Zhao | Ya‐Wen Zhang | Jie Yang | Yi Chen | G. X. Pu | Yunsheng Wang | Dan Li | Wei Fan | Manman Fang | Jishan Wu | Zhen Li
Source: Advanced Optical Materials (article, 2024-07-02)
Field: Materials Science — Materials Chemistry

The Role of Locally Excited State and Charge Transfer State in Organic Room Temperature Phosphorescence and Corresponding Applications Abstract Donor–acceptor (D–A) structure with charge transfer (CT) effect is widely utilized in the construction of organic luminescent materials. The adjustment of their CT effect and related luminescent property usually relies on the changes of molecular structure with different D or A moieties, which will lead to some uncertainties in structure‐property relationship. With the aim to explore the clear inherent luminescent mechanism for D–A molecule with CT effect, it is ideal that the regulation of intramolecular charge transfer in one same D–A molecule can be realized. Accordingly, three D–A type organic phosphorescence luminogens are designed and synthesized. Once being doped into different polymer matrixes, disparate charge transfer effects and related room temperature phosphorescence (RTP) properties can be achieved for a single molecule. Subsequent experiments confirm that different distributions of molecules with locally excited (LE) state and CT state are mainly responsible for their distinct RTP behaviors, exhibiting the well‐clarified structure‐property relationship of D–A type phosphorescence luminogens. Furthermore, the transition from CT to LE state can even be realized through chemical reaction, leading to the activated RTP effect for practical applications. Phosphorescence ; Materials science ; Excited state ; Charge (physics) ; State (computer science) ; Persistent luminescence ; Chemical physics ; Optoelectronics ; Atomic physics ; Photochemistry ; Luminescence ; Optics ; Fluorescence ; Quantum mechanics ; Physics ; Thermoluminescence ; Chemistry Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Photoreceptor and optogenetics research