jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Halynne R. Lamontagne | Rosemary Cranston | Zachary J. Comeau | Cory S. Harris | Adam J. Shuhendler | Benoît H. Lessard
Source: Advanced Science (article, 2024-04-19)
Field: Materials Science — Materials Chemistry

Axial Phenoxylation of Aluminum Phthalocyanines for Improved Cannabinoid Sensitivity in OTFT Sensors Cannabis producers, consumers, and regulators need fast, accurate, point-of-use sensors to detect Δ<sup>9</sup>-tetrahydrocannabinol (THC) and cannabidiol (CBD) from both liquid and vapor source samples, and phthalocyanine-based organic thin-film transistors (OTFTs) provide a cost-effective solution. Chloro aluminum phthalocyanine (Cl-AlPc) has emerged as a promising material due to its unique coordinating interactions with cannabinoids, allowing for superior sensitivity. This work explores the molecular engineering of AlPc to tune and enhance these interactions, where a series of novel phenxoylated R-AlPcs are synthesized and integrated into OTFTs, which are then exposed to THC and CBD solution and vapor samples. While the R-AlPc substituted molecules have a comparable baseline device performance to Cl-AlPc, their new crystal structures and weakened intermolecular interactions increase sensitivity to THC. Grazing-incidence wide-angle X-ray scattering (GIWAXS) and atomic force microscopy (AFM) are used to investigate this film restructuring, where a significant shift in the crystal structure, grain size, and film roughness is detected for the R-AlPc molecules that do not occur with Cl-AlPc. This significant crystal reorganization and film restructuring are the driving force behind the improved sensitivity to cannabinoids relative to Cl-AlPc and demonstrate that analyte-semiconductor interactions can be enhanced through chemical modification to create more responsive OTFT sensors. Aluminium ; Sensitivity (control systems) ; Materials science ; Point (geometry) ; Nanotechnology ; Computer science ; Composite material ; Electronic engineering ; Engineering Luminescence and Fluorescent Materials ; Organic Electronics and Photovoltaics ; Porphyrin and Phthalocyanine Chemistry
Authors: Pedro Ximenis | Llorenç Rubert | Heike M. A. Ehmann | Bartolomé Soberats
Source: Organic Chemistry Frontiers (article, 2024-11-12)
Field: Chemistry — Spectroscopy

Influence of hydrogen bonds and π–π stacking on the self-assembly of aryldipyrrolidones We report on the self-assembly behavior of two aryldipyrrolidone dyes forming conventional assemblies via π–π stacking or unconventional multistranded columnar phases through hydrogen bonding depending on their π-core. Chemistry ; Stacking ; Hydrogen bond ; Bond ; Crystallography ; Organic chemistry ; Molecule ; Business Molecular spectroscopy and chirality ; Crystallography and molecular interactions ; Various Chemistry Research Topics
Authors: Wanting Xu | Na Liu | Zhongchen Lu
Source: Materials (review, 2024-08-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Progress of Iron-Based Magnetic Absorbers and Its Applications in Elastomers: A Review As a result of continuing scientific and technological progress, electromagnetic waves have become increasingly pervasive across a variety of domains, particularly within the microwave frequency range. These waves have found extensive applications in wireless communications, high-frequency electronic circuits, and several related fields. As a result, absorptive materials have become indispensable for dual-use applications across both the military and civilian domains because of their exceptional electromagnetic wave absorption properties. This paper, beginning with the operating mechanisms of absorptive materials, aims to provide an overview of the strategies that have been used to enhance the absorption performance of iron-based magnetic absorbers (IBMAs) and discuss the current research status of absorptive material components. The fabrication of a ferromagnetic absorber in terms of morphology, heterointerface coupling, and macrostructural enhancements and the effect of powder characteristics on their electromagnetic properties are discussed. Additionally, the application of IBMAs in elastomers is summarized. Finally, this paper summarizes the limitations of existing ferromagnetic absorber materials and offers a perspective on their potential future developments. The objective of the ongoing research is to fabricate absorptive components that have thin profiles, lightweight construction, wide absorption frequency ranges, and strong absorption capabilities. Materials science ; Microwave ; Absorption (acoustics) ; Elastomer ; Engineering physics ; Variety (cybernetics) ; Nanotechnology ; Material Design ; Mechanical engineering ; Computer science ; Telecommunications ; Engineering ; Composite material Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications
Authors: Moein Zarei | Marek J. Żwir | Beata Michalkiewicz | Jarosław Gorący | Mirosława El Fray
Source: Journal of Biomedical Materials Research Part B Applied Biomaterials (article, 2024-12-30)
Field: Materials Science — Biomaterials

Template‐Assisted Electrospinning and <scp>3D</scp> Printing of Multilayered Hierarchical Vascular Grafts Fabricating complex hierarchical structures mimicking natural vessels and arteries is pivotal for addressing problems of cardiovascular diseases. Various fabrication strategies have been explored to achieve this goal, each contributing unique advantages and challenges to the development of functional vascular grafts. In this study, a three-layered tubular structure resembling vascular grafts was fabricated using biocompatible and biodegradable copolymers of poly(butylene succinate) (PBS) using advanced manufacturing techniques. The outer layer was fabricated by template-assisted electrospinning utilizing a 3D-printed scaffold with a precise hexagonal pore design as the template, and the inner layer was coated with gelatin through perfusion. Cellulose nanocrystals (CNCs) were incorporated into electrospun fibers to enhance mechanical properties. The gelatin coating was applied to the lumen using perfusion coating, resembling the inner layer. Integration of 3D-printed structures with electrospun fibers via template-assisted electrospinning and gelatin coating resulted in a seamless multilayered scaffold. Mechanical testing demonstrated robustness, surpassing natural arteries in some aspects, while the gelatin coating significantly reduced liquid leakage, ensuring leak-free functionality. Cytotoxicity assessment confirmed the biocompatibility of processed materials with fibroblast cells, supporting potential for medical applications. Gelatin ; Materials science ; Electrospinning ; Biocompatibility ; Scaffold ; Coating ; Nanofiber ; Fabrication ; Nanotechnology ; Template ; Biomedical engineering ; Composite material ; Polymer ; Chemistry Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; biodegradable polymer synthesis and properties
Authors: Pengfei Dong | Xinyu Xu | Taikang Wu | Rengan Luo | Weisu Kong | Zhiyuan Xu | Shuai Yuan | Jun Zhou | Jianping Lei
Source: Angewandte Chemie (article, 2024-05-13)
Field: Materials Science — Materials Chemistry

Stepwise Protonation of Three‐Dimensional Covalent Organic Frameworks for Enhancing Hydrogen Peroxide Photosynthesis Abstract Three‐dimensional covalent organic frameworks (3D COFs), recognized for their tailorable structures and accessible active sites, offer a promising platform for developing advanced photocatalysts. However, the difficulty in the synthesis and functionalization of 3D COFs hinders their further development. In this study, we present a series of 3D‐ bcu ‐COFs with 8 connected porphyrin units linked by linear linkers through imine bonds as a versatile platform for photocatalyst design. The photoresponse of 3D‐ bcu ‐COFs was initially modulated by functionalizing linear linkers with benzo‐thiadiazole or benzo‐selenadiazole groups. Furthermore, taking advantage of the well‐exposed porphyrin and imine sites in 3D‐ bcu ‐COFs, their photocatalytic activity was optimized by stepwise protonation of imine bonds and porphyrin centers. The dual protonated COF with benzo‐selenadiazole groups exhibited enhanced charge separation, leading to an increased photocatalytic H 2 O 2 production under visible light. This enhancement demonstrates the combined benefits of linker functionalization and stepwise protonation on photocatalytic efficiency. Protonation ; Hydrogen peroxide ; Chemistry ; Covalent bond ; Photosynthesis ; Photochemistry ; Artificial photosynthesis ; Organic chemistry ; Catalysis ; Biochemistry ; Photocatalysis Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Electrocatalysts for Energy Conversion
Authors: Camille Chartier | Sylvie Chardon‐Noblat | Cyrille Costentin
Source: Inorganic Chemistry (article, 2024-04-16)
Field: Materials Science — Materials Chemistry

Redox Behavior and Kinetics of Hydroxo Ligand Exchange on Iron Tetraphenylporphyrin: Comparison with Chloro Exchange and Consequences for Its Role in Self-Modulation of Molecular Catalysis of Electrochemical Reactions Thermodynamics and kinetics of hydroxide ion binding to iron tetraphenylporphyrin (TPPFe) at different redox states is investigated by electrochemistry and UV-vis spectroscopy. The reduction of initial TPPFe(III) drastically decreases the binding affinity of hydroxide ions. An activation-driving force correlation is revealed showing that the strongest the binding affinity, the largest the association rate constant and vice versa. Comparison with chloride ions shows that hydroxide ions are stronger ligands for iron tetraphenylporphyrin. However, kinetic data indicate that coordination and decoordination of chloride ions is intrinsically faster than coordination and decoordination of hydroxide ions. Finally, the consequence of hydroxide ion binding dynamics when TPPFe is used as a molecular catalyst for electrochemical reactions liberating hydroxides is discussed in the framework of self-modulation of catalytic processes. Chemistry ; Tetraphenylporphyrin ; Hydroxide ; Electrochemistry ; Inorganic chemistry ; Redox ; Catalysis ; Kinetics ; Chloride ; Reaction rate constant ; Ion ; Ligand (biochemistry) ; Photochemistry ; Porphyrin ; Electrode ; Physical chemistry ; Organic chemistry Porphyrin and Phthalocyanine Chemistry ; Electrochemical Analysis and Applications ; CO2 Reduction Techniques and Catalysts
Authors: Aimee Sheehan | Irina A. Okkelman | Geoffrey Groslambert | Christophe Bucher | Ruslan I. Dmitriev | Mikhail A. Filatov
Source: Chemistry - A European Journal (article, 2024-12-31)
Field: Materials Science — Materials Chemistry

Optoelectronic Properties and Fluorescence Lifetime Imaging Application of Donor‐Acceptor Dyads Derived From 2,6‐DicarboxyBODIPY Donor-acceptor BODIPY dyads, functionalized at the 2 and 6 positions with benzyl ester (BDP-DE) or carboxylic acid (BDP-DA) groups, were synthesized, and their optoelectronic properties were investigated. Carbonyl groups were found to increase the reduction potential of the BODIPY core by 0.15-0.4 eV compared to regular alkyl-substituted BODIPYs. These compounds exhibited efficient intramolecular charge separation and triplet state formation through the spin-orbit charge transfer intersystem crossing (SOCT-ISC) process, achieving singlet oxygen quantum yields of up to 92 %, depending on the solvent polarity. Notably, the fluorescence and singlet oxygen generation of BDP-DAs were found to depend on the ionization state of the carboxylic groups. Time-resolved fluorescence measurements revealed that complexation of BDP-DAs with bovine serum albumine (BSA) significantly extended their excited state lifetimes. Fluorescence lifetime imaging microscopy (FLIM) studies of human colorectal carcinoma (HCT116) cells and pig small intestinal organoids (enteroids) provided insights into subcellular localization. The diacid with 2,4-dimethoxyphenyl group at the meso-position (DA1) displayed longer lifetimes in lipid-droplet-like structures and shorter lifetimes in cytoplasmic regions. The diacid containing a meso-anthracenyl group (DA2) formed 'islands' in cell monolayers, exhibiting a distinct lifetime gradient from the periphery to the center. These results highlight the potential of donor-acceptor BODIPYs as fluorescent probes for biological imaging, particularly in revealing subtle differences in cellular environments. Intersystem crossing ; Photochemistry ; BODIPY ; Chemistry ; Fluorescence ; Singlet oxygen ; Acceptor ; Excited state ; Intramolecular force ; Singlet state ; Oxygen ; Stereochemistry ; Organic chemistry Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Porphyrin and Phthalocyanine Chemistry
Authors: Mónia A. R. Martins | Leonard M. Kiirika | Nicolas Schaffer | Adam Sajnóg | João A. P. Coutinho | Gregory Franklin | Dibyendu Mondal
Source: ACS Sustainable Resource Management (article, 2024-05-08)
Field: Materials Science — Materials Chemistry

Unveiling Dissolution Kinetics of CuO Nanofertilizer Using Bio-Based Ionic Liquids Envisaging Controlled Use Efficiency for Sustainable Agriculture The need for sustainable agriculture amid a growing population and challenging climatic conditions is hindered by the environmental repercussions of widespread fertilizer use, resulting in the accumulation of metal ions and the loss of micronutrients. The present study provides an approach to improve the efficiency of nanofertilizers by controlling the release of copper (Cu) ions from copper oxide (CuO) nanofertilizers through bioionic liquids based on plant growth regulators (PGR-ILs). A 7-day study was conducted to understand the kinetics of Cu ion release in aqueous solution of five different PGR-ILs, with choline ascorbate ([Cho][Asc]) or choline salicylate ([Cho][Sal]) leading to 200- to 700-fold higher dissolution of Cu ions in comparison to choline indole-3-acetate ([Cho][IAA]), choline indole-3-butyrate ([Cho][IBA]), and choline gibberellate ([Cho][GA<sub>3</sub>]). The tunable diffusion of Cu ions from CuO nanofertilizers using PGR-ILs is then applied in a foliar spray study, evaluating its impact on the growth phenotype, photosynthetic parameters, and carbon dioxide (CO<sub>2</sub>) sequestration in <i>Nicotiana tabacum</i> in a greenhouse. The results indicate that nanoformulations with lower concentrations of Cu ions in PGR-IL solutions exhibit superior outcomes in terms of plant length, net photosynthetic rate, dry biomass yield, and CO<sub>2</sub> sequestration, emphasizing the critical role of dissolution kinetics in determining the effectiveness of PGR-IL-based nanoformulations for sustainable agriculture. Dissolution ; Chemistry ; Kinetics ; Aqueous solution ; Population ; Choline ; Inorganic chemistry ; Biochemistry ; Organic chemistry Nanoparticles: synthesis and applications
Authors: Luke Smith | Hanif Haidari | Anteneh Amsalu | Gordon S. Howarth | Saffron J. Bryant | Sumeet Walia | Aaron Elbourne | Zlatko Kopecki
Source: International Journal of Molecular Sciences (review, 2024-11-28)
Field: Materials Science — Materials Chemistry

Black Phosphorus Nanoflakes: An Emerging Nanomaterial for Clinical Wound Management and Biomedical Applications Black phosphorus (BP), a two-dimensional material, has gathered significant attention over the last decade, primarily due to its unique physiochemical properties and potential role in various biomedical applications. This review provides an in-depth overview of the synthesis, nanomaterial properties, interactions, and biomedical uses of BP, with a particular focus on wound management. The structure, synthesis methods, and stability of BP are discussed, highlighting the high degree of nanomaterial biocompatibility and cytotoxicity. The antimicrobial properties of BP, including mechanisms of action and preclinical studies to date, are examined, emphasizing the effectiveness of BP against various clinical pathogens relevant to wound management. Additionally, the versatility of BP in biomedical implementations is highlighted through utilization in drug delivery, imaging, and photothermal therapy, with a focus on scalability and reproducibility with outlined future perspectives. Despite identified challenges for translation in clinical uses, BP nanomaterial has significant potential as a versatile platform in biomedical applications, especially in wound management. Black phosphorus ; Nanotechnology ; Nanomaterials ; Biocompatibility ; Drug delivery ; Computer science ; Materials science 2D Materials and Applications ; MXene and MAX Phase Materials ; Extracellular vesicles in disease
Authors: Xinran Lv | Ziqiang Yin | Zhi‐gang Yang | Junshuai Chen | Shen Zhang | Shaolei Song | Gang Yu
Source: Recent Progress in Materials (article, 2024-04-03)
Field: Materials Science — Ceramics and Composites

Review on the Development of Titanium Diboride Ceramics Titanium diboride (TiB&lt;sub&gt;2&lt;/sub&gt;) materials have garnered significant attention due to their remarkable comprehensive properties. They offer potential applications in high-temperature structural materials, cutting tools, armor, electrodes for metal smelting, and wear-resistant parts. However, due to the low self-diffusion coefficient, the TiB&lt;sub&gt;2&lt;/sub&gt; exhibits poor sinterability, excessive grain growth at elevated temperatures, and inadequate oxidation resistance, limiting its wide application. Therefore, many research works are devoted to processing TiB&lt;sub&gt;2&lt;/sub&gt; at a lower sintering temperature and improving the properties through various sintering additives and more advanced techniques. This article comprehensively reviews the multiple synthesis methods and sintering technologies of TiB&lt;sub&gt;2&lt;/sub&gt;, and at the same time, critically discusses the impacts of sintering additives and reinforcing agents on densification, microstructure, and various properties, including those at high temperatures, and finally predicts the future development of TiB&lt;sub&gt;2&lt;/sub&gt; composite materials. Titanium diboride ; Materials science ; Titanium ; Ceramic ; Metallurgy Advanced ceramic materials synthesis ; Advanced materials and composites ; MXene and MAX Phase Materials
Authors: Karolina Kasza | Brogan Richards | S J Jones | Manuel Romero | Shaun N. Robertson | Kim R. Hardie | Pratik Gurnani | Miguel Cámara | Cameron Alexander
Source: ACS Applied Materials & Interfaces (article, 2024-01-30)
Field: Chemistry — Organic Chemistry

Ciprofloxacin Poly(β-amino ester) Conjugates Enhance Antibiofilm Activity and Slow the Development of Resistance To tackle the emerging antibiotic resistance crisis, novel antimicrobial approaches are urgently needed. Bacterial biofilms are a particular concern in this context as they are responsible for over 80% of bacterial infections and are inherently more recalcitrant toward antimicrobial treatments. The high tolerance of biofilms to conventional antibiotics has been attributed to several factors, including reduced drug diffusion through the dense exopolymeric matrix and the upregulation of antimicrobial resistance machinery with successful biofilm eradication requiring prolonged high doses of multidrug treatments. A promising approach to tackle bacterial infections involves the use of polymer drug conjugates, shown to improve upon free drug toxicity and bioavailability, enhance drug penetration through the thick biofilm matrix, and evade common resistance mechanisms. In the following study, we conjugated the antibiotic ciprofloxacin (CIP) to a small library of biodegradable and biocompatible poly(β-amino ester) (PBAE) polymers with varying central amine functionality. The suitability of the polymers as antibiotic conjugates was then verified in a series of assays including testing of efficacy and resistance response in planktonic Gram-positive and Gram-negative bacteria and the reduction of viability in mono- and multispecies biofilm models. The most active polymer within the prepared PBAE-CIP library was shown to achieve an over 2-fold increase in the reduction of biofilm viability in a <i>Pseudomonas aeruginosa</i> monospecies biofilm and superior elimination of all the species present within the multispecies biofilm model. Hence, we demonstrate that CIP conjugation to PBAEs can be employed to achieve improved antibiotic efficacy against clinically relevant biofilm models. Biofilm ; Ciprofloxacin ; Antimicrobial ; Antibiotic resistance ; Microbiology ; Antibiotics ; Context (archaeology) ; Drug resistance ; Multiple drug resistance ; Materials science ; Bacteria ; Biology Antimicrobial agents and applications ; Bacterial biofilms and quorum sensing ; Antimicrobial Peptides and Activities
Authors: Yueliang Yao | Yuen Cheong Tse | Samuel Kin‐Man Lai | Yixiang Shi | Kam‐Hung Low | Ho Yu Au‐Yeung
Source: Nature Communications (article, 2024-03-03)
Field: Chemistry — Spectroscopy

Dynamic mechanostereochemical switching of a co-conformationally flexible [2]catenane controlled by specific ionic guests Responsive synthetic receptors for adaptive recognition of different ionic guests in a competitive environment are valuable molecular tools for not only ion sensing and transport, but also the development of ion-responsive smart materials and related technologies. By virtue of the mechanical chelation and ability to undergo large-amplitude co-conformational changes, described herein is the discovery of a chameleon-like [2]catenane that selectively binds copper(I) or sulfate ions and its associated co-conformational mechanostereochemical switching. This work highlights not only the advantages and versatility of catenane as a molecular skeleton in receptor design, but also its potential in constructing complex responsive systems with multiple inputs and outputs. Catenane ; Chemistry ; Ionic bonding ; Ion ; Chelation ; Nanotechnology ; Combinatorial chemistry ; Biophysics ; Molecule ; Materials science ; Organic chemistry ; Biology Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes ; Crystallography and molecular interactions
Authors: Pankaj Kalita | Kusum Kumari | Pawan Kumar | Vierandra Kumar | Saurabh Kumar Singh | Guillaume Rogez | Vadapalli Chandrasekhar
Source: Dalton Transactions (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Eight-coordinate mono- and dinuclear Dy(<scp>iii</scp>) complexes containing a rigid equatorial plane and an anisobidentate carboxylate ligand in the axial position: synthesis, structure and magnetism A rigid pentadentate chelating ligand (H<sub>2</sub>L) has been utilized to synthesize a series of octacoordinate mononuclear complexes, [Dy(L)(Ph<sub>3</sub>PO)(OOCR)] (where R = C<sub>6</sub>H<sub>5</sub> (1), C(CH<sub>3</sub>)<sub>3</sub> (2), CF<sub>3</sub> (3)) and a dinuclear complex, [Dy<sub>2</sub>(L)<sub>2</sub>(Ph<sub>3</sub>PO)<sub>2</sub>{(OOC)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>}] (4) based on the highly anisotropic Dy(III) ion. All the complexes were structurally characterized by single-crystal X-ray diffraction studies. The complexes were formed by the coordination action of the dianionic pentadentate ligand [L]<sup>2-</sup>, one phosphine oxide, and carboxylate ligands. DC and AC magnetic measurements were performed on 1-4. Complexes 1-4 show SMM behaviour, under zero DC field for 1 and 4, and under 500 Oe and 1000 Oe DC fields for 2 and 3 respectively, with thermally activated, Raman, and Raman and quantum tunnelling dominant relaxation mechanisms for 1 and 2, 3 and 4, respectively. Carboxylate ; Ligand (biochemistry) ; Chemistry ; Magnetism ; Crystallography ; Stereochemistry ; Physics ; Biochemistry Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Catalyzed Oxygenation Mechanisms