jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xia Li | Debobroto Sensharma | Leigh Loots | Shubo Geng | Sousa Javan Nikkhah | En Lin | Volodymyr Bon | Wansheng Liu | Zhifang Wang | Tao He | Soumya Mukherjee | Matthias Vandichel | Stefan Kaskel | Leonard J. Barbour | Zhenjie Zhang | Michael J. Zaworotko
Source: Journal of the American Chemical Society (article, 2024-06-21)
Field: Chemistry — Inorganic Chemistry

Reversible Phase Transformations in a Double-Walled Diamondoid Coordination Network with a Stepped Isotherm for Methane Flexible metal-organic materials (FMOMs) with stepped isotherms can offer enhanced working capacity in storage applications such as adsorbed natural gas (ANG) storage. Unfortunately, whereas >1000 FMOMs are known, only a handful exhibit methane uptake of >150 cm<sup>3</sup>/cm<sup>3</sup> at 65 atm and 298 K, conditions relevant to ANG. Here, we report a double-walled 2-fold interpenetrated diamondoid (<b>dia</b>) network, <b>X-dia-6-Ni,</b> [Ni<sub>2</sub>L<sub>4</sub>(μ-H<sub>2</sub>O)]<sub><i>n</i></sub>, comprising a new azo linker ligand, <b>L</b><sup><b>-</b></sup> (<b>L</b><sup><b>-</b></sup> = (<i>E</i>)-3-(pyridin-4-yldiazenyl)benzoate) and 8-connected dinuclear molecular building blocks. <b>X-dia-6-Ni</b> exhibited gas (CO<sub>2</sub>, N<sub>2</sub>, CH<sub>4</sub>) and liquid (C8 hydrocarbons)-induced reversible transformations between its activated narrow-pore <b>β</b> phase and <b>γ</b>, a large-pore phase with <i>ca</i>. 33% increase in unit cell volume. Single-crystal X-ray diffraction (SCXRD) studies of the as-synthesized phase <b>α</b>, <b>β</b>, and <b>γ</b> revealed that structural transformations were enabled by twisting of the azo moiety and/or deformation of the MBB. Further insight into these transformations was gained from variable temperature powder XRD and <i>in situ</i> variable pressure powder XRD. Low-temperature N<sub>2</sub> and CO<sub>2</sub> sorption revealed stepped Type F-II isotherms with saturation uptakes of 422 and 401 cm<sup>3</sup>/g, respectively. <b>X-dia-6-Ni</b> exhibited uptake of 200 cm<sup>3</sup>/cm<sup>3</sup> (65 atm, 298 K) and a high CH<sub>4</sub> working capacity of 166 cm<sup>3</sup>/cm<sup>3</sup> (5-65 bar, 298 K, 33 cycles), the third highest value yet reported for an FMOM and the highest value for an FMOM with a Type F-II isotherm. Chemistry ; Diamondoid ; Methane ; Sorption ; Moiety ; Phase (matter) ; Adsorption ; Volume (thermodynamics) ; Saturation (graph theory) ; Ligand (biochemistry) ; Crystallography ; Chemical engineering ; Stereochemistry ; Molecule ; Organic chemistry ; Thermodynamics Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; Covalent Organic Framework Applications
Authors: Julie Heremans | Steven Ballet | Charlotte Martin
Source: Journal of Peptide Science (review, 2024-11-19)
Field: Materials Science — Biomaterials

The versatility of peptide hydrogels: From self‐assembly to drug delivery applications Pharmaceuticals often suffer from limitations such as low solubility, low stability, and short half-life. To address these challenges and reduce the need for frequent drug administrations, a more efficient delivery is required. In this context, the development of controlled drug delivery systems, acting as a protective depot for the drug, has expanded significantly over the last decades. Among these, injectable hydrogels have emerged as a promising platform, especially in view of the rise of biologicals as therapeutics. Hydrogels are functional, solid-like biomaterials, composed of cross-linked hydrophilic polymers and high water content. Their physical properties, which closely mimic the extracellular matrix, make them suitable for various biomedical applications. This review discusses the different types of hydrogel systems and their self-assembly process, with an emphasis on peptide-based hydrogels. Due to their structural and functional diversity, biocompatibility, synthetic accessibility, and tunability, peptides are regarded as promising and versatile building blocks. A comprehensive overview of the variety of peptide hydrogels is outlined, with β-sheet forming sequences being highlighted. Key factors to consider when using peptide hydrogels as a controlled drug delivery system are reviewed, along with a discussion of the main drug release mechanisms and the emerging trend towards affinity-based systems to further refine drug release profiles. Self-healing hydrogels ; Drug delivery ; Biocompatibility ; Nanotechnology ; Context (archaeology) ; Drug ; Self-assembling peptide ; Materials science ; Chemistry ; Pharmacology ; Medicine ; Organic chemistry ; Biology Supramolecular Self-Assembly in Materials ; RNA Interference and Gene Delivery ; Chemical Synthesis and Analysis
Authors: Junxian Bai | Mengke Zhang | Fangyuan Si | Yan Li | Guijie Liang | Tingting Hou | Yingwei Li
Source: Advanced Functional Materials (article, 2024-12-08)
Field: Materials Science — Materials Chemistry

Directional Transport of Photogenerated Electrons to Reduction Sites in Covalent Organic Frameworks by Microenvironment Modulation for CO<sub>2</sub> Photoreduction Abstract As the transfer of photogenerated electrons to CO 2 directly determines its reduction performance, it is important to boost the local photogenerated electron density at the reaction site. Herein, a new strategy is demonstrated to evaluate the local photogenerated electron density at the reaction site by modulating the microenvironment of the reaction site at a molecular level based on 3 rationally designed relatively electron‐deficient (ED) and electron‐rich (ER) type COFs. Expectedly, En‐COF‐TAPB‐TDOEB exhibits high photogenerated electron density at the reduction site due to the presence of an additional electric field, whose polarization direction is consistent with that of the basic unit of COFs. As comparison, photogenerated electrons in Am‐COF‐TAPB‐TFB and Pr‐COF‐TFPB‐TAB mostly distribute in benzene and triphenylene, respectively, due to the delay in exciton dissociation and the presence of an electric field with an inverse direction compared with that of the basic unit of the COFs. Consequently, En‐COF‐TAPB‐TDOEB shows superior CO 2 photoreduction efficiency to Am‐COF‐TAPB‐TFB and Pr‐COF‐TFPB‐TAB. Further mechanism investigation demonstrates the influence of the polar microenvironment on the excited state and charge separation pathways of the π‐system in En‐COF‐TAPB‐TDOEB, which convincingly confirms that the ability of directional transport of photogenerated electrons to reduction sites in photocatalysts is directly correlated to their activity in CO 2 reduction. Materials science ; Electron ; Triphenylene ; Electron transfer ; Electron transport chain ; Electric field ; Excited state ; Photochemistry ; Chemical physics ; Optoelectronics ; Atomic physics ; Chemistry ; Physics Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Z. Y. Khattari
Source: Journal of the American Ceramic Society (article, 2024-01-30)
Field: Materials Science — Materials Chemistry

Unveiling the influence of crystal structure polymorphs on radiation shielding properties: A case study of SiO <sub>2</sub> Abstract Material's linear attenuation coefficient (LAC) and atomic packing factor (APF) play a crucial role in shield and protecting against radiations hazardous. This seminal study highlights that changing the crystalline polymorphism structures of a material from orthorhombic at low APF to tetragonal or hexagonal at high APF can lead to rise in both density and LAC. These results demonstrate that altering the material's crystalline structures and the corresponding APF will directly impact these two vital physical parameters. Specifically, for the studied case of SiO 2 , the findings reveal a 29% increase in the LAC when transitioning from orthorhombic to hexagonal occurs and 118% when undergoes structural changes back to the same symmetry group but with different density and APF. These advancements enhance the material's capacity to be utilized for radiation shielding and prevention applications. Crystal structure ; Materials science ; Electromagnetic shielding ; Crystallography ; Radiation ; Radiation shielding ; Crystal (programming language) ; Mineralogy ; Chemistry ; Composite material ; Optics ; Physics Radiation Shielding Materials Analysis ; X-ray Diffraction in Crystallography ; Nuclear materials and radiation effects
Authors: Subrata Patra | Vasiliki Valsamidou | Dmitry Katayev
Source: CHIMIA International Journal for Chemistry (article, 2024-02-28)
Field: Chemistry — Organic Chemistry

Simplifying Nitration Chemistry with Bench-stable Organic Nitrating Reagents Nitro compounds play a crucial role in academia and industries, serving as building blocks for the synthesis of drugs, agrochemicals, and materials. Nitration, a fundamental process in organic synthesis, has undergone significant evolution since the 19th century. While electrophilic nitration dominates historically, recent decades have seen a focus on new reagents and their reactivity modes for achieving mild and robust synthesis of nitro compounds. Our group has a longstanding interest in developing cost-effective, readily available, recyclable nitrating reagents derived from organic scaffolds. These reagents serve as a controllable source of nitryl radical and nitronium ion species, enabling mild and practical nitration of hydrocarbons with exceptional functional group tolerance. This account details the development of nitrating reagents and their diverse applications in catalytic nitration across various classes of organic molecules. Nitration ; Reagent ; Organic synthesis ; Chemistry ; Nitro ; Electrophile ; Combinatorial chemistry ; Organic chemistry ; Catalysis ; Alkyl Synthesis and Catalytic Reactions ; Chemical Synthesis and Reactions ; Sulfur-Based Synthesis Techniques
Authors: Nur Ain Thomas | Lisa Efriani Puluhulawa | Faradila Ratu Cindana Mo’o | Agus Rusdin | Amirah Mohd Gazzali | Arif Budiman
Source: Polymers (review, 2024-07-29)
Field: Materials Science — Biomaterials

Potential of Pullulan-Based Polymeric Nanoparticles for Improving Drug Physicochemical Properties and Effectiveness Pullulan-based polymeric nanoparticles are promising candidates for innovative drug delivery systems, with the potential to overcome the limitations associated with traditional delivery methods. Pullulan ; Nanoparticle ; Materials science ; Chemical engineering ; Nanotechnology ; Chemistry ; Organic chemistry ; Polysaccharide Nanoparticle-Based Drug Delivery ; Polysaccharides Composition and Applications ; Hydrogels: synthesis, properties, applications
Authors: Lena Yadgarov | Reshef Tenne
Source: Small (review, 2024-07-02)
Field: Materials Science — Materials Chemistry

Nanotubes from Transition Metal Dichalcogenides: Recent Progress in the Synthesis, Characterization and Electrooptical Properties Inorganic layered compounds (2D-materials), particularly transition metal dichalcogenide (TMDC), are the focus of intensive research in recent years. Shortly after the discovery of carbon nanotubes (CNTs) in 1991, it was hypothesized that nanostructures of 2D-materials can also fold and seam forming, thereby nanotubes (NTs). Indeed, nanotubes (and fullerene-like nanoparticles) of WS<sub>2</sub> and subsequently from MoS<sub>2</sub> were reported shortly after CNT. However, TMDC nanotubes received much less attention than CNT until recently, likely because they cannot be easily produced as single wall nanotubes with well-defined chiral angles. Nonetheless, NTs from inorganic layered compounds have become a fertile field of research in recent years. Much progress has been achieved in the high-temperature synthesis of TMDC nanotubes of different kinds, as well as their characterization and the study of their properties and potential applications. Their multiwall structure is found to be a blessing rather than a curse, leading to intriguing observations. This concise minireview is dedicated to the recent progress in the research of TMDC nanotubes. After reviewing the progress in their synthesis and structural characterization, their contributions to the research fields of energy conversion and storage, polymer nanocomposites, andunique optoelectronic devices are being reviewed. These studies suggest numerous potential applications for TMDC nanotubes in various technologies, which are briefly discussed. Nanotechnology ; Carbon nanotube ; Materials science ; Characterization (materials science) ; Nanocomposite ; Nanotube ; Nanostructure ; Fullerene ; Nanoparticle ; Transition metal ; Catalysis ; Chemistry 2D Materials and Applications ; MXene and MAX Phase Materials ; Perovskite Materials and Applications
Authors: K. L. Cheng | Tian Xu | Shaorui Yuan | Qiuyue Feng | Yude Wang
Source: Sensors (review, 2024-07-10)
Field: Materials Science — Materials Chemistry

Research Progress on Ammonia Sensors Based on Ti3C2Tx MXene at Room Temperature: A Review Ammonia (NH<sub>3</sub>) potentially harms human health, the ecosystem, industrial and agricultural production, and other fields. Therefore, the detection of NH<sub>3</sub> has broad prospects and important significance. Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> is a common MXene material that is great for detecting NH<sub>3</sub> at room temperature because it has a two-dimensional layered structure, a large specific surface area, is easy to functionalize on the surface, is sensitive to gases at room temperature, and is very selective for NH<sub>3</sub>. This review provides a detailed description of the preparation process as well as recent advances in the development of gas-sensing materials based on Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene for room-temperature NH<sub>3</sub> detection. It also analyzes the advantages and disadvantages of various preparation and synthesis methods for Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene's performance. Since the gas-sensitive performance of pure Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene regarding NH<sub>3</sub> can be further improved, this review discusses additional composite materials, including metal oxides, conductive polymers, and two-dimensional materials that can be used to improve the sensitivity of pure Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene to NH<sub>3</sub>. Furthermore, the present state of research on the NH<sub>3</sub> sensitivity mechanism of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene-based sensors is summarized in this study. Finally, this paper analyzes the challenges and future prospects of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene-based gas-sensitive materials for room-temperature NH<sub>3</sub> detection. Nanotechnology ; Materials science ; Ammonia gas ; Ammonia ; Process engineering ; Chemistry ; Engineering MXene and MAX Phase Materials ; Gas Sensing Nanomaterials and Sensors ; 2D Materials and Applications
Authors: Shima Rezaie | Azahara Luna‐Triguero
Source: Chemical Engineering Journal (article, 2024-04-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A comprehensive approach for doping selection and assessment in porous materials for hydrogen storage: CNTs study case Identifying a nanostructure suitable for hydrogen storage presents a promising avenue for the secure and cost-effective utilization of hydrogen as a green energy source. This study introduces a systematic approach for selecting optimal doping on porous materials, emphasizing the intricate interplay between doping with the material's structure and the interaction between doping and hydrogen. Our proposed approach serves as a framework for evaluating and predicting the performance of doped materials. To validate the efficacy of our strategy, we conduct a comprehensive investigation in carbon nanotubes (CNTs). Applying our criteria, we systematically screen several dopants in CNTs. The results highlight Cu-doped CNTs as promising candidates for hydrogen storage applications. Focusing on Cu-doped CNTs, we analyze binding energy, charge transfer, partial density of states (PDOS), and desorption temperature to assess the performance of modified CNTs. Additionally, we explore the feasibility of doped CNTs featuring various sizes of copper clusters and the effect on the release temperature, i.e., complete regeneration. The findings indicate that incorporating 5 to 6% copper impurity onto CNT surfaces renders these nanostructures highly applicable for reversible hydrogen storage near ambient conditions. Hydrogen storage ; Materials science ; Doping ; Dopant ; Nanotechnology ; Carbon nanotube ; Hydrogen ; Nanostructure ; Porosity ; Energy storage ; Copper ; Chemical engineering ; Composite material ; Chemistry ; Optoelectronics ; Metallurgy ; Organic chemistry Supercapacitor Materials and Fabrication ; Electrocatalysts for Energy Conversion ; Advancements in Battery Materials
Authors: Wenpeng Zhou | Ya-Ping Ruan | Haodong Wu | Han Zhang | Jiang-Shan Tang | Zhenda Xie | Lei Tang | Yu Wang | Yue-E Ji | Kun‐Peng Jia | Cheng‐Wei Qiu | Yanqing Lu | Keyu Xia
Source: eLight (article, 2024-07-12)
Field: Chemistry — Spectroscopy

Magnetic-free chiral eigenmode spectroscopy for simultaneous sensitive measurement of optical rotary dispersion and circular dichroism Abstract Chirality, defined by Lord Kelvin, refers to the geometric symmetry property of an object that cannot be superposed onto its mirror image using rotations and translations. The material’s chirality can be probed with light as the optical activity: optical rotary dispersion (ORD) and circular dichroism (CD). It is still challenging to yield extremely sensitive ORD and CD for very weak chirality and measure both simultaneously. Cavity ringdown polarimetry has been reported to improve ORD detection sensitivity with the absence of equally important CD signature, at the price of high cavity finesse near 400, frequency-locking sophistication, and large magnetic field. Here, we report a unique recipe to demonstrate the simultaneous measurement of ORD and the CD by separately observing the chiral eigenmode spectra from a bowtie optical cavity with a finesse about 30, without resorting to frequency locking or magnetic field. We obtain a sensitivity of $$\sim 2.7\times 10^{-3} \text {deg}/\sqrt{\text {Hz}}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>∼</mml:mo> <mml:mn>2.7</mml:mn> <mml:mo>×</mml:mo> <mml:msup> <mml:mn>10</mml:mn> <mml:mrow> <mml:mo>-</mml:mo> <mml:mn>3</mml:mn> </mml:mrow> </mml:msup> <mml:mtext>deg</mml:mtext> <mml:mo>/</mml:mo> <mml:msqrt> <mml:mtext>Hz</mml:mtext> </mml:msqrt> </mml:mrow> </mml:math> for ORD, $$\sim 8.1 \times 10^{-6} /\sqrt{\text {Hz}}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>∼</mml:mo> <mml:mn>8.1</mml:mn> <mml:mo>×</mml:mo> <mml:msup> <mml:mn>10</mml:mn> <mml:mrow> <mml:mo>-</mml:mo> <mml:mn>6</mml:mn> </mml:mrow> </mml:msup> <mml:mo>/</mml:mo> <mml:msqrt> <mml:mtext>Hz</mml:mtext> </mml:msqrt> </mml:mrow> </mml:math> for CD, and a spectral resolution of $$0.04~\text {pm}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mn>0.04</mml:mn> <mml:mspace/> <mml:mtext>pm</mml:mtext> </mml:mrow> </mml:math> within a millisecond-scale measurement. We present a cost-effective yet ultrasensitive account for chiral chromatography, the conformational dynamics and chiroptical analysis of biological samples which particularly exhibit weak and narrow spectral signals. Optical rotatory dispersion ; Physics ; Circular dichroism ; Nuclear magnetic resonance ; Analytical Chemistry (journal) ; Crystallography ; Chemistry Molecular spectroscopy and chirality ; Photoreceptor and optogenetics research ; Spectroscopy and Quantum Chemical Studies
Authors: Karuna Adhikari | Maarten Vanermen | Gustavo da Silva | Tim Van den Wyngaert | Koen Augustyns | Filipe Elvas
Source: EJNMMI Radiopharmacy and Chemistry (article, 2024-06-06)
Field: Chemistry — Organic Chemistry

Trans-cyclooctene—a Swiss army knife for bioorthogonal chemistry: exploring the synthesis, reactivity, and applications in biomedical breakthroughs This review paper provides a comprehensive overview of the current state of knowledge regarding the synthesis of TCOs, and its challenges, and their development throughout the years. We describe their wide ranging applications as radiolabeled prosthetic groups for radiolabeling, as bioorthogonal tags for pretargeted imaging and therapy, and targeted drug delivery, with the aim of showcasing the versatility and potential of TCOs as valuable tools in advancing biomedical research and applications. Bioorthogonal chemistry ; Bioconjugation ; Nanotechnology ; Cancer therapy ; Chemistry ; Computer science ; Click chemistry ; Combinatorial chemistry ; Medicine ; Cancer ; Materials science Click Chemistry and Applications ; Monoclonal and Polyclonal Antibodies Research ; Chemical Synthesis and Analysis
Authors: Jon A. Onrubia-Calvo | Beñat Pereda‐Ayo | José A. González‐Marcos | Juan R. González‐Velasco
Source: Journal of CO2 Utilization (article, 2024-02-22)
Field: Materials Science — Materials Chemistry

Lanthanum partial substitution by basic cations in LaNiO3/CeO2 precursors to raise DFM performance for integrated CO2 capture and methanation The influence of the adsorbent nature on the CO2 capture and in situ methanation efficiency of novel Dual Function Materials (DFMs) is studied. Several 20% La0.7A0.3NiO3/CeO2–type precursors, with La3+ partially substituted by basic metal oxides (Na, K, Ca and Ba) are prepared. Samples are deeply characterized before and after catalytic tests by XRD, N2 adsorption-desorption, H2-TPR, H2-TPD, STEM-EDS, XPS, CO2-TPD and H2-TPSR. Characterization results show that Ca2+ and Ba2+ cations accommodate better inside the perovskite structure, due to their similarity in oxidation state and ionic radius to La3+. Corresponding DFMs result in enhanced textural properties, more homogenous phase distribution and promoted surface basic sites accessibility and concentration. Finally, the higher proximity and interactions between CO2 adsorption and active sites enhances CH4 formation in a wider temperature window. The order of reactivity has been observed in terms of CH4 production: Ca-doped ≥ Ba-doped > non-doped ≫ Na-doped > K-doped. The 20% La0.7Ca0.3NiO3/CeO2-derived DFM improves methane production of the conventional 15% Ni-15% CaO/Al2O3 DFM (128.0 vs. 118.0 μmol CH4 g−1 at 400 ºC) in the presence of CO2 during the adsorption period, whereas the incorporation of O2 and/or NOx during the adsorption period shows similar detrimental effect in both cases. However, the partial confinement of Ni nanoparticles (NPs) on Ni-La2O3, Ni-CaO or La-Ce-O interfaces prevents synthesized DFM from deactivation and promotes its regenerability related to the conventional formulation. Thus, Ca doping emerges as the more effective way of tailoring CO2 adsorption and in-situ hydrogenation to CH4 efficiency of 20% LaNiO3/CeO2-derived DFMs. Methanation ; Adsorption ; Lanthanum ; Catalysis ; X-ray photoelectron spectroscopy ; Ionic radius ; Desorption ; Inorganic chemistry ; Materials science ; Chemistry ; Chemical engineering ; Physical chemistry ; Ion Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Carbon Dioxide Capture Technologies