jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ghada ALMisned | Duygu Şen Baykal | Hessa Alkarrani | G. Süsoy | H.O. Tekın
Source: Results in Physics (article, 2024-04-30)
Field: Materials Science — Materials Chemistry

Advancing mechanical durability and radiation shielding properties in Silicon dioxide (SiO2) glasses through various incorporations: A comparative analysis Silicon dioxide (SiO2) glasses, known for their high thermal stability, excellent optical transparency, and substantial mechanical strength, are crucial in numerous technological applications, including radiation shielding. This research explores the impact of compositional variations in SiO2-based glasses on their mechanical and radiation shielding properties, particularly focusing on the inclusion of heavy metal oxides (HMO) and rare earth elements (REE) like neodymium (Nd). Through the systematic investigation of fifteen distinct glass samples with varying concentrations of specific oxides and elements, we investigate the compositional changes and their influence on physical properties and their effectiveness in attenuating radiation. Our findings demonstrate that the incorporation of Nd significantly enhances the glass's radiation shielding capabilities. Glasses doped with Nd exhibited higher effective atomic numbers and electron densities, which translate to superior attenuation characteristics at lower photon energies. This is highlighted by the exceptional performance of the 20Nd sample, showing the lowest exposure build-up factors (EBF) at 10 mean free paths (mfp), indicating its potential as a premier candidate for shielding applications against various energy levels of radiation. Moreover, the variation in the Elastic Modulus of the glass samples underscores the significant impact of the glass matrix composition on its mechanical properties, suggesting a delicate balance between network formers and modifiers in determining the glass properties. It can be concluded that the neodymium-doped SiO2-based glasses may be considered as targeted compositions in fine-tuning material properties to meet specific application requirements. As the demand for efficient radiation shielding materials grows across medical, industrial, and space exploration sectors, our findings provide a solid foundation for the development of new glass formulations tailored for enhanced mechanical properties and superior radiation protection levels. Materials science ; Silicon dioxide ; Electromagnetic shielding ; Neodymium ; Doping ; Radiation ; Composite material ; Optoelectronics ; Optics ; Physics ; Laser Radiation Shielding Materials Analysis ; Nuclear materials and radiation effects ; Radiation Dose and Imaging
Authors: Junhui Liu | Hanting Xiong | Shuai Hua | Xing Liu | Yong Peng | Lingmin Wang | Pengxiang Wang | Zhiwei Zhao | Zhenning Deng | Zhenyu Zhou | Jingwen Chen | Shixia Chen | Zheling Zeng | Shuguang Deng | Jun Wang
Source: Nature Communications (article, 2024-03-12)
Field: Chemistry — Inorganic Chemistry

Molecular sieving of iso-butene from C4 olefins with simultaneous high 1,3-butadiene and n-butene uptakes Iso-butene (iso-C<sub>4</sub>H<sub>8</sub>) is an important raw material in chemical industry, whereas its efficient separation remains challenging due to similar molecular properties of C<sub>4</sub> olefins. The ideal adsorbent should possess simultaneous high uptakes for 1,3-butadiene (C<sub>4</sub>H<sub>6</sub>) and n-butene (n-C<sub>4</sub>H<sub>8</sub>) counterparts, endowing high efficiency for iso-C<sub>4</sub>H<sub>8</sub> separation in adsorption columns. Herein, a sulfate-pillared adsorbent, SOFOUR-DPDS-Ni (DPDS = 4,4'-dipyridyldisulfide), is reported for the efficient iso-C<sub>4</sub>H<sub>8</sub> separation from binary and ternary C<sub>4</sub> olefin mixtures. The rigidity in pore sizes and shapes of SOFOUR-DPDS-Ni exerts the molecular sieving of iso-C<sub>4</sub>H<sub>8</sub>, while exhibiting high C<sub>4</sub>H<sub>6</sub> and n-C<sub>4</sub>H<sub>8</sub> uptakes. The benchmark Henry's selectivity for C<sub>4</sub>H<sub>6</sub>/iso-C<sub>4</sub>H<sub>8</sub> (2321.8) and n-C<sub>4</sub>H<sub>8</sub>/iso-C<sub>4</sub>H<sub>8</sub> (233.5) outperforms most reported adsorbents. Computational simulations reveal the strong interactions for C<sub>4</sub>H<sub>6</sub> and n-C<sub>4</sub>H<sub>8</sub>. Furthermore, dynamic breakthrough experiments demonstrate the direct production of high-purity iso-C<sub>4</sub>H<sub>8</sub> (>99.9%) from C<sub>4</sub>H<sub>6</sub>/iso-C<sub>4</sub>H<sub>8</sub> (50/50, v/v), n-C<sub>4</sub>H<sub>8</sub>/iso-C<sub>4</sub>H<sub>8</sub> (50/50, v/v), and C<sub>4</sub>H<sub>6</sub>/n-C<sub>4</sub>H<sub>8</sub>/iso-C<sub>4</sub>H<sub>8</sub> (50/15/35, v/v/v) gas-mixtures. Selectivity ; Ternary operation ; Adsorption ; Butene ; Chemistry ; Olefin fiber ; 1,3-Butadiene ; Nuclear chemistry ; Materials science ; Analytical Chemistry (journal) ; Chromatography ; Ethylene ; Organic chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Covalent Organic Framework Applications
Authors: Jia‐Xin Wang | Tengfei Zhang | Jiyan Pei | Di Liu | Yubo Wang | Xiao‐Wen Gu | Guodong Qian | Bin Li
Source: Chem & Bio Engineering (article, 2024-07-29)
Field: Chemistry — Inorganic Chemistry

An MOF-Based Single-Molecule Propylene Nanotrap for Benchmark Propylene Capture from Ethylene Highly selective capture and separation of propylene (C<sub>3</sub>H<sub>6</sub>) from ethylene (C<sub>2</sub>H<sub>4</sub>) presents one of the most crucial processes to obtain pure C<sub>2</sub>H<sub>4</sub> in the petrochemical industry. The separation performance of current physisorbents is commonly limited by insufficient C<sub>3</sub>H<sub>6</sub> binding affinity, resulting in poor low-pressure C<sub>3</sub>H<sub>6</sub> uptakes or inadequate C<sub>3</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> selectivities. Herein, we realize a unique single-molecule C<sub>3</sub>H<sub>6</sub> nanotrap in an ultramicroporous MOF material (Co(pyz)[Pd(CN)<sub>4</sub>], ZJU-74a-Pd), exhibiting the benchmark C<sub>3</sub>H<sub>6</sub> capture capacity at low-pressure regions. This MOF-based nanotrap features the sandwichlike strong multipoint binding sites and the perfect size match with C<sub>3</sub>H<sub>6</sub> molecules, providing an ultrastrong C<sub>3</sub>H<sub>6</sub> binding affinity with the maximal <i>Q</i> <sub>st</sub> value (55.8 kJ mol<sup>-1</sup>). This affords the nanotrap to exhibit one of the highest C<sub>3</sub>H<sub>6</sub> uptakes at low pressures (60.5 and 103.8 cm<sup>3</sup> cm<sup>-3</sup> at 0.01 and 0.1 bar) and record-high C<sub>3</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> selectivity (23.4). Theoretical calculations reveal that the perfectly size-matched pore cavities combined with sandwichlike multibinding sites enable this single-molecule C<sub>3</sub>H<sub>6</sub> nanotrap to maximize the C<sub>3</sub>H<sub>6</sub> binding affinity, mainly accounting for its record low-pressure C<sub>3</sub>H<sub>6</sub> capture capacity and selectivity. Breakthrough experiments further confirm its excellent separation capacity for actual 1/99 and 50/50 C<sub>3</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> mixtures, affording the remarkably high pure C<sub>2</sub>H<sub>4</sub> productivities of 17.1 and 3.4 mol kg<sup>-1</sup>, respectively. Ethylene propylene rubber ; Benchmark (surveying) ; Ethylene ; Molecule ; Materials science ; Chemistry ; Organic chemistry ; Catalysis ; Copolymer ; Geography ; Polymer Metal-Organic Frameworks: Synthesis and Applications ; Zeolite Catalysis and Synthesis ; Covalent Organic Framework Applications
Authors: Kevin R. Venrooij | Lucienne de Bondt | Kimberly M. Bonger
Source: Topics in Current Chemistry (review, 2024-07-06)
Field: Chemistry — Organic Chemistry

Mutually Orthogonal Bioorthogonal Reactions: Selective Chemistries for Labeling Multiple Biomolecules Simultaneously Bioorthogonal click chemistry has played a transformative role in many research fields, including chemistry, biology, and medicine. Click reactions are crucial to produce increasingly complex bioconjugates, to visualize and manipulate biomolecules in living systems and for various applications in bioengineering and drug delivery. As biological (model) systems grow more complex, researchers have an increasing need for using multiple orthogonal click reactions simultaneously. In this review, we will introduce the most common bioorthogonal reactions and discuss their orthogonal use on the basis of their mechanism and electronic or steric tuning. We provide an overview of strategies to create reaction orthogonality and show recent examples of mutual orthogonal chemistry used for simultaneous biomolecule labeling. We end by discussing some considerations for the type of chemistry needed for labeling biomolecules in a system of choice. Bioorthogonal chemistry ; Chemistry ; Biomolecule ; Click chemistry ; Orthogonality ; Nanotechnology ; Combinatorial chemistry ; Chemical biology ; Biochemical engineering ; Biochemistry Click Chemistry and Applications ; Monoclonal and Polyclonal Antibodies Research ; Chemical Synthesis and Analysis
Authors: Perrine Galland | Muhammad Haseeb Iqbal | Damien Favier | Mélanie Legros | Pierre Schaaf | Fouzia Boulmedais | Mehdi Vahdati
Source: Journal of Colloid and Interface Science (article, 2024-01-28)
Field: Materials Science — Surfaces, Coatings and Films

Tuning the underwater adhesiveness of antibacterial polysaccharides complex coacervates As predicted by linear rheology, the CHI-HA coacervates at 0.1 and 0.2 M NaCl had the highest pull-off adhesion strengths of 44.4 and 40.3 kPa in their respective supernatants. In-situ physical hardening of the 0.2 M coacervate upon a salt switch in 0.1 M NaCl resulted in a pull-off adhesion strength of 62.9 kPa. This material maintained its adhesive properties in physiological conditions. Finally, the optimal adhesive was found to be non-cytotoxic and inherently antimicrobial through a chitosan release-killing mechanism. Coacervate ; Chitosan ; Adhesive ; Adhesion ; Chemistry ; Viscoelasticity ; Polymer ; Polyelectrolyte ; Chemical engineering ; Hyaluronic acid ; Materials science ; Nanotechnology ; Chromatography ; Composite material ; Organic chemistry Polymer Surface Interaction Studies ; Electrospun Nanofibers in Biomedical Applications ; Surgical Sutures and Adhesives
Authors: Moses Kayanda Kiteto | Beryl Vidija | Achisa C. Mecha | Register Mrosso | Martha Noro Chollom
Source: Discover Water (article, 2024-08-06)
Field: Chemistry — Inorganic Chemistry

Advances in metal–organic frameworks as adsorbents, photocatalysts and membranes: a new frontier in water purification Abstract Water is an essential and irreplaceable necessity for life on earth, sustaining ecosystems, nourishing agriculture and vital for human survival. However, increasing population and industrialization has exacerbated water scarcity and pollution. The Sustainable Development Goal 6 focuses on clean water and sanitation for all; thus, water purification and conservation are key priorities globally. Rampant pollution of water sources by emerging bio-recalcitrant contaminants, often deviant of conventional treatment methods, necessitates new approaches to water treatment. In this regard, metal organic frameworks (MOFs) are gaining prominence and offer solutions in versatile applications due to their unique structural characteristics and tunable properties. This review provides a comprehensive analysis of MOFs, covering their diverse structures, types, synthesis methods and characterization techniques. We explore the application of MOFs in water purification, as adsorbents, photocatalysts, and in membrane separation. The mechanism of operation of MOFs in each application is critically evaluated. The effect of the water treatment methods on energy consumption has also been investigated. We propose that for MOFs application in water treatment to be competitive and sustainable, there is need to address key issues such as synthesis of highly selective MOFs, recovery and reuse, scalability (pilot and industrial scale), and integration with existing water treatment technologies to create synergy. We provide future perspectives on these aspects. Frontier ; Metal-organic framework ; Adsorption ; Membrane ; Portable water purification ; Chemical engineering ; Water treatment ; Materials science ; Environmental chemistry ; Environmental science ; Nanotechnology ; Chemistry ; Environmental engineering ; Organic chemistry ; Political science ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Adsorption and biosorption for pollutant removal
Authors: Felix Full | Albert Artigas | Kevin Wiegand | Daniel Volland | Klaudia Szkodzińska | Yoann Coquerel | Agnieszka Nowak‐Król
Source: Journal of the American Chemical Society (article, 2024-10-11)
Field: Chemistry — Organic Chemistry

Controllable 1,4-Palladium Aryl to Aryl Migration in Fused Systems─Application to the Synthesis of Azaborole Multihelicenes Herein, we report the first 1,4-Pd aryl to aryl migration/Miyaura borylation tandem reaction in fused systems. The Pd shift occurred in the bay region of the dibenzo[<i>g</i>,<i>p</i>]chrysene building blocks, giving rise to a thermodynamically controlled mixture of 1,8- and 1,9-borylated compounds that allowed the preparation of regioisomeric azaborole multihelicenes from the same starting material. The outcome of this synthesis can be controlled by the choice of reaction conditions, allowing the migration process to be turned off in the absence of an acetate additive and the target multiheterohelicenes to be prepared in a regioselective manner. The target compounds show bright green fluorescence in dichloromethane with emission quantum yields (Φ) of up to 0.29, |<i>g</i><sub>lum</sub>| values up to 2.7 × 10<sup>-3</sup>, and green or green-yellow emission in the solid state, reaching Φ of 0.22. Single crystal X-ray diffraction analyses gave insight into their molecular structures and the packing arrangement. Evaluation of aromaticity in these multihelicenes revealed a nonaromatic character of the 2<i>H</i>-1,2-azaborole constituent rings. Chemistry ; Aryl ; Borylation ; Palladium ; Tandem ; Combinatorial chemistry ; Stereochemistry ; Catalysis ; Organic chemistry ; Aerospace engineering Synthesis and Properties of Aromatic Compounds ; Organoboron and organosilicon chemistry ; Catalytic Cross-Coupling Reactions
Authors: Kevin Neumann
Source: Biomaterials Science (review, 2024-01-01)
Field: Materials Science — Surfaces, Coatings and Films

The case for poly(ylides) as a class of charge-neutral, hydrophilic polymers with applications in biomaterials science Many applications of biomaterials require hydrophilic polymers as building blocks, including hydrogels and nanomedicinal devices. Besides enabling sufficient swelling properties in aqueous environments, hydrophilic polymers provide hydration layers, which are considered a major requirement when designing non-fouling surfaces and materials. For the last few decades, polyethylene glycol has been seen as the gold standard for such applications. However, reports on its stability and immunogenicity have urged chemists to identify alternatives with comparable or superior properties. In addition to biopolymers, zwitterionic polymers have gained increasing attention by effectively offering an overall charge-neutral scaffold capable of forming strong hydration layers. Driven by an enhanced understanding of the structure-property relationship of zwitterionic materials, poly(ylides) have emerged as a new class of hydrophilic and charge-neutral polymers. By having the negative charge adjacent to the positive charge, ylides offer not only a minimal dipole moment but also maintain their overall charge-neutral nature. Despite some early reports on their synthesis during the 1980s, polymeric ylides were largely overlooked as a class of polymers, and their utility as unique hydrophilic building blocks for the design of biomaterials and nanomedicinal tools remained elusive. In recent years, several groups have reported <i>N</i>-oxide and carbon-centered ylide-based polymers as highly effective building blocks for the design of antifouling materials and nanomedicines. Here, by reviewing recent progress and understanding of structure-property relationships, arguments are provided explaining why polymeric ylides should be classified as a standalone class of hydrophilic polymers. Consequently, the author concludes that the term 'poly(ylide)' or 'polymeric ylides' should be routinely used to adequately describe this emerging class of polymers. Polymer ; Self-healing hydrogels ; Materials science ; Nanotechnology ; Charge (physics) ; Polyethylene glycol ; Smart polymer ; Aqueous solution ; Chemistry ; Polymer chemistry ; Chemical engineering ; Organic chemistry Polymer Surface Interaction Studies ; Advanced Sensor and Energy Harvesting Materials ; Hydrogels: synthesis, properties, applications
Authors: Paulina Jaqueline Cortés-Valadez | Esperanza Baños-López | Yazmín Mariela Hernández-Rodríguez | Oscar Eduardo Cigarroa-Mayorga
Source: Nanomaterials (article, 2024-04-10)
Field: Materials Science — Materials Chemistry

Bryophyte-Bioinspired Nanoporous AAO/C/MgO Composite for Enhanced CO2 Capture: The Role of MgO A composite material composed of anodized aluminum oxide (AAO), carbon (C), and magnesium oxide (MgO) was developed for CO<sub>2</sub> capture applications. Inspired by the bryophyte organism, the AAO/C/MgO composite mirrors two primary features of these species-(1) morphological characteristics and (2) elemental composition-specifically carbon, oxygen, and magnesium. The synthesis process involved two sequential steps: electroanodization of aluminum foil followed by a hydrothermal method using a mixture of glucose and magnesium chloride (MgCl<sub>2</sub>). The concentration of MgCl<sub>2</sub> was systematically varied as the sole experimental variable across five levels-1 mM, 2 mM, 3 mM, 4 mM, and 5 mM-to investigate the impact of MgO formation on the samples' chemical and physical properties, and consequently, their CO<sub>2</sub> capture efficiency. Thus, scanning electron microscopy analysis revealed the AAO substrate's porous structure, with pore diameters measuring 250 ± 30 nm. The growth of MgO on the AAO substrate resulted in spherical structures, whose diameter expanded from 15 nm ± 3 nm to 1000 nm ± 250 nm with increasing MgCl<sub>2</sub> concentration from the minor to major concentrations explored, respectively. X-ray photoelectron spectroscopy (XPS) analysis indicated that carbon serves as a linking agent between AAO and MgO within the composite. Notably, the composite synthesized with a 4 mM MgCl<sub>2</sub> concentration exhibited the highest CO<sub>2</sub> capture efficiency, as determined by UV-Vis absorbance studies using a sodium carbonate solution as the CO<sub>2</sub> source. This efficiency was quantified with a 'k' constant of 0.10531, significantly higher than those of other studied samples. The superior performance of the 4 mM MgCl<sub>2</sub> sample in CO<sub>2</sub> capture is likely due to the optimal density of MgO structures formed on the sample's surface, enhancing its adsorptive capabilities as suggested by the XPS results. X-ray photoelectron spectroscopy ; Materials science ; Magnesium ; Nanoporous ; Composite number ; Chemical engineering ; Scanning electron microscope ; Substrate (aquarium) ; Carbon fibers ; Nuclear chemistry ; Nanotechnology ; Chemistry ; Composite material ; Metallurgy Layered Double Hydroxides Synthesis and Applications ; Advanced Photocatalysis Techniques ; Catalytic Processes in Materials Science
Authors: Sanju Gupta | Sara B. Carrizosa | Bryce Aberg
Source: Scientific Reports (article, 2024-11-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Designing high-performance asymmetric and hybrid energy devices via merging supercapacitive/pseudopcapacitive and Li-ion battery type electrodes We report a strategic development of asymmetric (supercapacitive-pseudocapacitive) and hybrid (supercapacitive/pseudocapacitive-battery) energy device architectures as generation-II electrochemical energy systems. We derived performance-potential estimation regarding the specific power, specific energy, and fast charge-discharge cyclic capability. Among the conceived group, pseudocapacitor-battery hybrid device is constructed with a high-rate intrinsic asymmetric pseudocapacitive (α - MnO<sub>2</sub>/rGO) and a high-capacity Li-ion intercalation battery type (po-nSi/rGO) electrodes. The experimental setup was developed to measure the current sharing between the two different active materials in a single device allowing us to distinguish the contribution of each active electrode material. The combined potentiostatic cyclic voltammograms and galvanostatic charge-discharge cycling profiles provided gravimetric capacity exceeding 600 F/g (or 180.5 mAh g<sup>-1</sup> and ≥ 35mC/cm<sup>2</sup>) resulting in higher specific power and specific energy densities of 6.5 kW kg<sup>-1</sup> and 33.5 Wh kg<sup>-1</sup> with Coulombic efficiency (CE) and capacitance retention exceeding ≥ 85-90%, reported to date for full cell configuration, compared with symmetric or half-cell configurations (ca. 0.1 kW kg<sup>-1</sup> and 13.7 Wh kg<sup>-1</sup>). Other systems studied provided specific energy ranged between 28 Wh kg<sup>-1</sup> and 50 Wh kg<sup>-1</sup> and specific power between 6.5 kW kg<sup>-1</sup>and 1.3 kW kg<sup>-1</sup>. Moreover, the behavior of such asymmetric hybrid devices represented a linear combination of the two active electrode material systems. The use of aqueous (and organic) electrolytes for asymmetric electrodes dramatically improved device performance and stability depending upon the electrode combination forming hybrid energy devices. We attribute the observed efficient performance of these hybrid devices induced by hybridized and emergent redox chemistries of merged electrode materials and dynamical processes at the electrode-electrolyte interfaces (intrinsic electroactivity, optimized double-layer and quantum capacitance) which play multiple roles. These energy devices are commercially relevant due to their potential viability in future hybrid electric vehicles, smart electric grids, electrocatalytic fuel production, space (micro-satellites), and miniaturized flexible electronic and wearable biomedical devices. Electrode ; Battery (electricity) ; Materials science ; Ion ; Computer science ; Optoelectronics ; Energy (signal processing) ; Chemistry ; Physics ; Power (physics) Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced Battery Technologies Research