jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Gizem Boyoğlu | Ahmet Berat Karabina | Ecem Bellikan | S. Zeki Yıldız
Source: Turkish Journal of Analytical Chemistry (article, 2024-10-26)
Field: Chemistry — Inorganic Chemistry

Catalytic oxidation of aromatic aldehydes to carboxylic acids in mild conditions with NaClO2 This study aimed to improve the conditions for the oxidation of benzaldehyde to benzoic acid using chlorine dioxide generated from sodium chlorite, across various pH ranges and different catalysts. The powerful oxidation capability of chlorine dioxide played a crucial role in enhancing the kinetic efficiency of the reactions. In our research, we examined various reaction conditions, including sodium dihydrogen phosphate, sodium dihydrogen phosphate together with sodium chlorite, sodium dihydrogen phosphate combined with sodium chlorite and potassium permanganate, and sodium dihydrogen phosphate with sodium chlorite and V2O5. Additionally, different oxidation combinations were tested, such as sodium chlorite with sodium tripolyphosphate (STPP), 1-hydroxyethylidene-1,1-diphosphonic acid (HEDP), and formic acid, as well. The stabilized chlorine dioxide solution was also used directly as an oxidation reagent. The role of chlorine dioxide in these combinations significantly impacted the selectivity and yield in terms of product. Furthermore, some Mn (III) complexes (Cat.1 and Cat.2) were used as catalysts in this study, and the findings revealed that chlorine dioxide is an effective oxidant in the selective oxidation of aromatic aldehydes to aromatic acids. For the catalytic application in buffer solutions, a leveling effect was observed. When Mn (III) complexes were used, it showed a similar leveling effect in buffer solutions with a pH &gt;1, which was resulting in slow ClO₂ formation. With these findings it was found that the use of Mn (III) complexes in NaH2PO4+NaClO2 combination provided the highest yield in the oxidation of aromatic aldehydes to acids. These results underscore the importance of chlorine dioxide as a powerful oxidant in chemical transformation processes. Sodium chlorite ; Chemistry ; Chlorine dioxide ; Chlorine ; Catalysis ; Inorganic chemistry ; Chlorite ; Sodium ; Reagent ; Benzoic acid ; Formic acid ; Phosphate ; Organic chemistry Vanadium and Halogenation Chemistry ; Oxidative Organic Chemistry Reactions ; Chemical Synthesis and Reactions
Authors: Jianxing Yu | Huiping Fu | Qing Gu
Source: Nanomaterials (article, 2024-11-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Construction and Application of Au NRs/4-MBA/PAM Ratiometric Surface-Enhanced Raman Scattering Substrate for Fish Veterinary Drug Residue Detection Surface-enhanced Raman scattering (SERS) is widely used for trace detection of substances, and the key to this technology lies in the preparation of the substrate material. In this study, a composite SERS material of Au NRs/4-MBA/PAM was constructed and characterized to better immobilize the reference molecule 4-mercaptobenzoic acid (4-MBA). Electron transmission microscopy results demonstrated that the PAM film helps Au NRs to pack closely, enhancing the stability of the material structure and reducing the interference of external environmental factors on the response of 4-MBA, thus improving the accuracy of quantitative determination. Comparative experimental results with the Au NRs/4-MBA substrate showed that the relative standard deviations (RSDs) of the detection results for MG on different batches of Au NRs/4-MBA/PAM were less than 8.0%, and the RSDs of different points on the same material were less than 10.0%, indicating that the Au NRs/4-MBA/PAM has higher uniformity, better reproducibility, and higher sensitivity in detecting malachite green (MG). Applying this material in the recovery determination of fish extract showed that the recovery rates of MG were between 75.60% and 83.24%. Therefore, the Au NRs/4-MBA/PAM substrate can accurately detect and quantify veterinary drug residue in complex matrices such as food tissue. Raman scattering ; Raman spectroscopy ; Malachite green ; Materials science ; Residue (chemistry) ; Detection limit ; Substrate (aquarium) ; Veterinary drug ; Reproducibility ; Surface-enhanced Raman spectroscopy ; Nanotechnology ; Nuclear chemistry ; Analytical Chemistry (journal) ; Chemistry ; Chromatography ; Organic chemistry ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: G.J. Russell
Source: arXiv (Cornell University) (preprint, 2024-09-14)
Field: Materials Science — General Materials Science

The Properties of Glass Fiber Reinforced Polypropylene Filaments Recycled from Fishing Gear Plastic pollution, mainly from lost fishing gear composed of high-density polyethylene (HDPE) and polypropylene (PP), poses a significant environmental obstacle. This study evaluates the potential of recycling PP from fishnet/rope and reinforcing it with glass fiber (GF) in the form of 3D printer filaments as a way to reduce/prevent ocean plastic. Two materials, one virgin (vPP-GF) and one made up of recycled polypropylene and virgin glass fibers (rPP-GF), were analyzed using differential scanning calorimetry, tensile, and Charpy impact tests. From the results, it was found that rPP-GF often outperformed vPP-GF. rPP-GF had a higher melting and crystallization point, likely a higher crystallinity, and could withstand a higher tensile stress, while vPP-GF could withstand a higher tensile strain. Further analysis revealed the potential presence of HDPE within the rPP-GF composite, which was not reported by the manufacturer. This significantly affected the Charpy test and made it difficult to draw conclusions from the resulting data. Nevertheless, their comparability in terms of mechanical and material properties indicates the strong potential of recycling polypropylene fishnet/rope and reinforcing it with glass fibers to extend their lifespan and reduce ocean plastic. Polypropylene ; Composite material ; Materials science ; Glass fiber ; Fiber Material Properties and Applications ; Fiber-reinforced polymer composites
Authors: Lamees S. Faeq | Farid Saad | Fadhil A. Hashim
Source: Materials Science (article, 2024-02-13)
Field: Materials Science — Polymers and Plastics

Improvement of Microwave Dielectric Properties by Impact of Sodium Ion Doping in Complex Oxides for Polymer Composites The research presented in this study focuses on the dielectric properties of complex oxide-filled epoxy, polyurethane, and silicone rubber composites. Specifically, we investigated various compositions of (1-x) CaWO4-xNa2WO4 (x = 0, 0.2, 0.4), in addition to Na0.5Bi0.5Mo0.5W0.5O4 and Bi2Mo0.5W0.5O6. These complex oxide materials were meticulously synthesized through a solid-state reaction, and their distinct phases were confirmed via rigorous X-ray diffraction (XRD) characterization. We then proceeded to create the composites by manually blending these complex oxides with epoxy, polyurethane, and silicone rubber matrices. The central focus of the study was to examine the impact of varying volume fractions of the complex oxide fillers on the dielectric properties of the composites in the frequency range of 4 – 8 GHz.Our observations revealed a direct correlation between the content of the complex oxide filler and the dielectric properties, including the dielectric constant and dielectric loss. Specifically, the addition of 10 % by volume fraction of (1-x) CaWO4-xNa2WO4 (x = 0, 0.4), Na0.5Bi0.5Mo0.5W0.5O4, or Bi2Mo0.5W0.5O6 fillers to the respective polymer matrices led to a significant enhancement in both the dielectric constant and the loss tangent. Promising results were particularly evident in three composite formulations: the 10 % 0.4Na2WO4-0.6CaWO4/silicone rubber composite demonstrated a dielectric constant (εr) of 2.02 ´ 102 and a loss tangent (tanδ) of -4.07 ´ 10-1 at 7.1 GHz; the 10 % Na0.5Bi0.5Mo0.5W0.5O4/epoxy composite exhibited a dielectric constant of 1.37 ´ 102 and a loss tangent of -6.43 ´ 10-1 at 7.22 GHz; and the 10 % Bi2W0.5Mo0.5O6/polyurethane composite displayed favorable properties with a dielectric constant (ϵr) of 8.37x101 and a loss tangent (tanδ) of -3.4 ´ 10-1 at 7.12 GHz.These results suggest the suitability of these composite materials for a wide range of microwave technology applications, including wireless communication, radar systems, and various microwave devices. Doping ; Materials science ; Composite material ; Dielectric ; Microwave ; Polymer ; Ion ; Chemistry ; Organic chemistry ; Optoelectronics ; Computer science ; Telecommunications Synthesis and properties of polymers ; Dielectric materials and actuators ; Silicone and Siloxane Chemistry
Authors: Harshita Chawla | Vishnu Prasad Shrivastava
Source: Prabha Materials Science Letters (article, 2024-11-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Enhanced Short Wavelength Infrared Absorption in Tri-Layer Metamaterials through Polymer Coating A highly efficient absorption in the short wavelength infrared (SWIR) spectral region is essential for the advancement of technologies in energy harvesting, infrared detection, and thermal emission. This study presents a polymer-coated multilayer perfect absorber metamaterial (MPA) with enhanced performance in the SWIR range. The MPA structure comprises four layers: a Polymethyl Methacrylate (PMMA) polymer top layer, an array of circular Titanium Nitride (TiN) disks as the second layer, thin film of Zinc Oxide (ZnO) as the dielectric middle layer, and a thin Titanium Nitride (TiN) film as the bottom metallic layer. Our findings demonstrate that this MPA achieves near-perfect absorption of 99% at a wavelength of 1.3 µm. The absorption characteristics are further investigated with respect to various structural parameters to ensure better performance of the absorber. The absorber holds great potential for applications in energy absorption, infrared sensing, thermal emission, and related fields. Coating ; Materials science ; Infrared ; Wavelength ; Polymer ; Layer (electronics) ; Metamaterial ; Absorption (acoustics) ; Optoelectronics ; Optics ; Composite material ; Physics Metamaterials and Metasurfaces Applications ; Thermal Radiation and Cooling Technologies ; Optical Wireless Communication Technologies
Authors: Vidya Sagar | Ashish Sarkar
Source: Journal of Advances and Scholarly Researches in Allied Education (article, 2024-04-01)
Field: Chemistry — Organic Chemistry

Pharmacological Profiling of Substituted Benzothiazoles: Insights into Structure-Activity Relationships A series of novel 1,3,4-oxadiazole derivatives incorporating benzothiazole moieties were synthesized and characterized for their structural and spectroscopic properties. The compounds, designated as 6a–6f, were prepared by coupling benzothiazole derivatives with various substituted phenyl groups through thiomethyl linkages on the oxadiazole ring. Structural confirmation was achieved using FTIR, 1H and 13C NMR spectroscopy, and mass spectrometry. The synthesized compounds exhibited distinct spectral characteristics, including aromatic C–H stretching (3045–3061 cm⁻¹), C=N stretching (1615–1619 cm⁻¹), and functional group-specific absorptions such as nitro (1548 cm⁻¹) and methoxy (–OCH₃) stretches (1246–1038 cm⁻¹). Elemental analyses showed good agreement between calculated and observed values, confirming the molecular compositions. The synthesized compounds present potential applications in pharmaceutical and materials science domains, with their unique structural framework offering scope for further exploration in biological and electronic applications. This study underscores the efficacy of the synthetic route and provides insights into the physicochemical attributes of benzothiazole-based oxadiazoles. Profiling (computer programming) ; Computational biology ; Chemistry ; Computer science ; Biology ; Programming language Synthesis and biological activity ; Synthesis of Tetrazole Derivatives ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Jaiswal Nilesh
Source: African Journal of Biomedical Research (article, 2024-09-20)
Field: Chemistry — Organic Chemistry

Antimalarial Microemulsions : pH, Viscosity And Crystallinity Measurements. Microemulsion ; Crystallinity ; Viscosity ; Chemistry ; Chromatography ; Nuclear chemistry ; Materials science ; Pulmonary surfactant ; Biochemistry ; Crystallography ; Composite material Surfactants and Colloidal Systems ; Advancements in Transdermal Drug Delivery ; Protein Interaction Studies and Fluorescence Analysis
Authors: Prakash Duari | Abir Sarbajna | Cheng‐han Yu | V. S. V. S. N. Swamy | Kai‐Stephan Feichtner | Jens Handelmann | Viktoria H. Gessner
Source: ChemCatChem (article, 2024-04-10)
Field: Chemistry — Organic Chemistry

Influence of Ylide Functionalization on the Catalytic Performance of Ferrocenyldiphosphines in Au(I)‐Catalyzed Hydroaminations and Hydrohydrazinations Abstract Ylide‐functionalized phosphines (YPhos) have been shown to yield highly active gold catalysts owing to their high donor capacity. To examine the impact of ylide functionalization on a given ligand structure, a series of ferrocenyl diphosphines functionalized with no, one or two ylide moieties and their corresponding bimetallic gold complexes were prepared. The complexes feature an anti‐conformation of the two phosphine moieties, guaranteeing the presence of two independent metal centers. Comparative studies of the complexes in the hydroamination and hydrohydrazination of alkynes revealed a significant increase in catalytic activity for each newly introduced ylide group. The di‐YPhos ligands were revealed to be the most active precatalysts, functioning effectively even at 0.1 or 0.2 mol % catalyst loading. This catalytic efficiency was demonstrated for a series of alkynes, amines and hydrazines. Ylide ; Diphosphines ; Catalysis ; Chemistry ; Bimetallic strip ; Hydroamination ; Surface modification ; Phosphine ; Ligand (biochemistry) ; Polymer chemistry ; Medicinal chemistry ; Organic chemistry ; Combinatorial chemistry Catalytic Alkyne Reactions ; Cyclopropane Reaction Mechanisms ; Asymmetric Hydrogenation and Catalysis
Authors: Nayanathara Hendeniya | Shaghayegh Abtahi | Gabriel Mogbojuri | Caden Chittick | Boyce S. Chang
Source: MRS Advances (review, 2024-06-19)
Field: Chemistry — Organic Chemistry

A snapshot review of the crystallization of polymer chains complexed by small molecules focusing on poly(4-vinylpyridine) systems: Opportunities and challenges Materials science ; Crystallization ; Snapshot (computer storage) ; Polymer ; Nanotechnology ; Molecule ; Polymer science ; Chemical engineering ; Organic chemistry ; Computer science ; Composite material Advanced Polymer Synthesis and Characterization ; Polymer crystallization and properties ; Block Copolymer Self-Assembly
Authors: Dong Fang | Fengxin Gao | Xiaofan Yang | Yujie Miao | Chengliang Xiao
Source: European Journal of Inorganic Chemistry (article, 2024-09-07)
Field: Materials Science — Materials Chemistry

Coordination Behaviors Between Aryl Diamide Amine Ligands and Trivalent Lanthanides: A Spectroscopic and Structural Study Abstract Investigating the complexation of organic ligands with trivalent lanthanides (Ln(III)) is crucial in various fields, particularly in the separation of actinides from lanthanides for spent fuel reprocessing. While alkyl diamide amine ligands have been extensively studied, aryl‐functionalized ligands are rarely reported. To understand the effect of substituents on the coordination mode of diamide amine ligands with Ln(III), two aryl‐substituted diamide amine ligands, 2,2′‐(p‐tolylazanediyl)bis(N‐ethyl‐N‐(p‐tolyl)acetamide) ( L1 ) and 2,2′‐((2‐ethylhexyl)azanediyl)bis(N‐ethyl‐N‐(p‐tolyl)acetamide) ( L2 ), were synthesized and systematically studied. 1 H NMR titration showed that metal ion coordination affected the electron density of methylene groups near coordinating atoms more than that of aromatic rings, while fluorescence titration and single‐crystal analysis confirmed 1 : 1 ligand‐Ln(III) complexes. Compared to alkyl diamide amine ligands, aryl groups increased steric hindrance, enhancing torsional strain and preventing amine nitrogen from participating in complexation, leading to weaker coordination as only two carbonyl oxygen atoms coordinated with Ln(III) in a bidentate mode. This work provides insight into how substituents influence the complexation properties of diamide amine ligands with f‐elements, aiding in the design of new ligands with improved performance. Chemistry ; Lanthanide ; Aryl ; Amine gas treating ; Coordination complex ; Inorganic chemistry ; Stereochemistry ; Polymer chemistry ; Organic chemistry ; Metal ; Ion Lanthanide and Transition Metal Complexes ; Radioactive element chemistry and processing ; Molecular Sensors and Ion Detection
Authors: Anna-Lena Gürtler | Jonathan P. Sirois | Julia C. Lang | Keira Melican | Thomas Rades | Andrea Heinz
Source: RSC Pharmaceutics (article, 2024-01-01)
Field: Materials Science — Biomaterials

Electrospun dressings with a dual release functionality of two anti-inflammatory active ingredients Development and in vitro as well as ex vivo characterization of different types polycaprolactone-based electrospun dressings containing the two anti-inflammatory active ingredients hydrocortisone and salicylic acid. Active ingredient ; Dual (grammatical number) ; Chemistry ; Medicine ; Pharmacology ; Art Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Silk-based biomaterials and applications
Authors: Marisol Ibarra Rodríguez | Paul Horley | Mario Sánchez
Source: El Repositorio Academico Digital de la UANL (Universidad Autónoma de Nuevo León) (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Metal-adorned borophene for efficient glucose adsorption In view of the urgent need for developing new materials for biomedical applications, we report on multi-facet study of functionalized borophene as a possible sensor or transporter of glucose. The adsorption of a glucose molecule on [MB36]þ(M =Li, Na, K), [MB36]2þ(M =Be, Mg, Ca), and [MB36]3þ(M =B, Al, Ga) complexes were studied both in gas and in water phase, conforming that [MB36]þ, [MB36]2þ, [MB36]3þare highly efficient as glucose adsorbers with the binding energies of 34 to 135 kcal/mol in the gas phase, and 12 to 111 kcal/mol in water as calculated with the PBE0-D3/def2-TZVP. Borophene adorned with beryllium have the highest adsorption energies, while the complexes with Li, Na and K are characterized with lower binding energy values. Thus, the systems with 1+oxidation state are more promising for intelligent drug delivery, while [MB36]þ, [MB36]2þ, [MB36]3þare more suitable for designing biosensors of glucose. Adsorption ; Borophene ; Beryllium ; Biosensor ; Molecule ; Binding energy Boron and Carbon Nanomaterials Research ; Organoboron and organosilicon chemistry ; Graphene research and applications
Authors: Alfi Eko Putra | Hiromi Miyoshi | Ming Yang
Source: Journal of Biorheology (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Vertically Aligned Carbon Nanotube (VACNT)/PDMS Composite with Changeable Lateral Stiffness Lateral stiffness and topography of culture substrate are critical parameters for controlling stem cell differentiation. However, controlling the lateral stiffness of the VACNT bundle tip, that is included in pillar category, is remained to be solved in a range of cell culture. In this study, we transferred the 18 μm VACNT length into PDMS matrix to control VACNT lateral stiffness with a partial immersion method. VACNT/PDMS composite was synthesized in which 5–10 μm of VACNT length at top surface was maintained free to move. The Lateral force measurement (LFM) demonstrated that VACNT/PDMS composite bundle tip with 6 μm PDMS was the stiffest, followed by raw VACNT and VACNT with 8.6 μm PDMS. The lateral stiffness values of the three VACNT condition were 1.037 N/m, 0.914 N/m, and 0.535 N/m, respectively. These values at certain thickness of PDMS could take a role as reinforcement or declination for VACNTs tips stiffness. We suggest that the VACNT have potential to control stem cell differentiation due to their sophisticate change of lateral stiffness. Carbon nanotube ; Composite number ; Materials science ; Stiffness ; Composite material ; Nanotechnology ; Nanotube Carbon Nanotubes in Composites
Authors: Dae Seok Kim | Yu Jin Jeong | Young Eun Lee | Taekyung Won | Ji Won Lee | Youngho Eom
Source: Research Square (preprint, 2024-09-18)
Field: Chemistry — Organic Chemistry

Ultra-tough and high-resilience mechanochromic fibres for real-world stress detection Resilience (materials science) ; Stress (linguistics) ; Materials science ; Forensic engineering ; Business ; Composite material ; Engineering ; Philosophy Polydiacetylene-based materials and applications ; Advanced Fiber Optic Sensors ; Thin-Film Transistor Technologies
Authors: Yohan Gisbert | Marco Ovalle | Charlotte N. Stindt | Romain Costil | Ben L. Feringa
Source: Angewandte Chemie (article, 2024-11-11)
Field: Chemistry — Organic Chemistry

Coupling Rotary Motion to Helicene Inversion within a Molecular Motor Abstract Towards complex coupled molecular motions, the remote handedness inversion of a helicene moiety was achieved by a rotary molecular motor. The use of a specifically engineered dynamic helicene stator in a novel overcrowded‐alkene second‐generation molecular motor based on a fluorinated dibenzofluorene fragment allows for an unprecedented control over helicity inversion. This is achieved by the mechanical coupling of the rotation of the rotor to the helicene inversion of the stator half via a remote chirality transmission process. Thus, the unidirectional rotary motion generated upon irradiation is used to invert the dynamic stereochemistry of a helicene, leading to a 6‐step cycle with eight intermediates. In this cycle, both alternation between P and M configurations of the helicene stator and dynamic thermal interconversion (paddling motion) can be achieved. In‐depth computational and spectroscopic studies were performed to support the associated mechanism. The control over coupled motion and dynamic helicity offers prospects for the development of complex responsive systems. Helicene ; Molecular motor ; Coupling (piping) ; Inversion (geology) ; Motion (physics) ; Chemical physics ; Chemistry ; Physics ; Classical mechanics ; Materials science ; Molecule ; Nanotechnology ; Biology ; Paleontology ; Organic chemistry Supramolecular Chemistry and Complexes ; Advanced NMR Techniques and Applications ; Microtubule and mitosis dynamics
Authors: Kristina Gak Simić | Ivana Đorđević | Aleksandra Mašulović | Lidija Radovanović | Olivier Jeannin | Franck Camerel | Nemanja Trišović
Source: CrystEngComm (article, 2024-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Self-assembly properties of zinc(<scp>ii</scp>) complexes with azo ligands grafted with dodecyl chains: towards supramolecular materials driven by coordination and hydrophobic effect Crystallographic and theoretical insight into the self-assembly of two zinc( ii ) complexes is provided through analyzing an interplay of coordination and hydrophobic effects resulting from the interdigitation of the long alkyl chains of the ligands. Supramolecular chemistry ; Zinc ; Alkyl ; Chemistry ; Self-assembly ; Coordination complex ; Supramolecular assembly ; Polymer chemistry ; Crystallography ; Organic chemistry ; Metal ; Crystal structure Crystallography and molecular interactions ; Supramolecular Chemistry and Complexes ; Surface Chemistry and Catalysis