jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lisa Zeußel | Shefali Chowdhary | Haocheng Wu | Vipan Kumar | Sukhdeep Singh
Source: Chemistry - An Asian Journal (article, 2024-04-10)
Field: Materials Science — Materials Chemistry

Sustainable Harnessing of Waste Polycarbonate for Synthesizing Activated Furans to Generate Stenhouse Adducts on Polymer Surface Plastics are versatile materials, offering lightweight, durable, and affordable solutions across various industries. However, their non-degradable nature poses challenges by end of their life. This study presented an innovative carbonyl extraction method to utilize waste poly(bisphenol A carbonate) (PC) as reaction precursor to synthesis of activated furan as precursor for photoswitchable Stenhouse adducts. This innovative chemical strategy not only generated N,N'-functionalized barbiturates but also provided an eco-friendly and cost-effective alternative to traditional synthesis methods. The method presented hereby not only promotes sustainability by repurposing waste polycarbonate as carbonyl equivalent under green conditions but also yielded reusable bisphenol A (BPA). Furthermore, the derived activated furans exhibited their functionality by forming colored donor-acceptor Stenhouse adducts (DASAs) on aminated polymer surfaces. This work demonstrated a transition from a linear plastics economy toward a circular one, highlighting the potential of plastic waste as a resource for creating materials with improved properties. Polycarbonate ; Bisphenol A ; Adduct ; Materials science ; Polymer ; Organic chemistry ; Furan ; Chemical engineering ; Chemistry Photochromic and Fluorescence Chemistry ; Polymer composites and self-healing ; Photopolymerization techniques and applications
Authors: Atul P. Keche
Source: International Journal of Emerging Technologies and Innovative Research (article, 2024-03-30)
Field: Materials Science — Materials Chemistry

Synthesis and Characterization of Nickel Ferrite Nanoparticles via the Ultrasonic-Assisted Sonochemical Method Nickel ferrite (NiFe2O4) nanoparticles, a significant class of soft ferrimagnetic materials, are widely explored for their unique physicochemical and magnetic properties. This paper provides a comprehensive review of the synthesis, characterization, and applications of these nanoparticles, with a focus on the ultrasonic-assisted sonochemical method. This "green" and energy-efficient technique leverages acoustic cavitation, which creates localized "hot spots" with extreme temperatures and pressures, enabling the rapid formation of highly crystalline nanoparticles. The article details how synthesis parameters like sonication time, power, and pH can be precisely controlled to tailor the material's properties. Various characterization techniques, including X-ray diffraction, electron microscopy, and vibrating sample magnetometry, are discussed to elucidate the crystal structure, morphology, and magnetic behavior, from ferrimagnetic to superparamagnetic. The review concludes by highlighting the diverse applications of these tunable nanoparticles, such as in environmental remediation, high-frequency electronics, and advanced biomedical applications like MRI and magnetic particle imaging Ferrimagnetism ; Characterization (materials science) ; Ferrite (magnet) ; Sonication ; Magnetic nanoparticles ; Nanoparticle ; Single crystal ; Sonochemistry Magnetic Properties and Synthesis of Ferrites ; Nanoparticle-Based Drug Delivery ; Ultrasound and Cavitation Phenomena
Authors: Umar Hassan | Mohammed Falalu Hamza | Hassan Soleimani | Bashir Abubakar Abdulkadir | Saifullahi Shehu Imam | Sabiha Hanim Saleh
Source: Improved Oil and Gas Recovery (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

An Interaction between Moringa Oleifera Biosurfactant and Nanoparticles for Foam Stability, Interfacial Tension Reduction and Wettability Alteration Foam has emerged as one of the most advanced techniques to address the gas mobility challenges encountered during gas flooding in oil reservoirs. Due to environmental concerns, bio-surfactants derived from plants are increasingly recommended as alternatives to synthetic surfactants. This study focuses on synthesizing a Moringa oleifera biosurfactant (MS) reinforced with Silica nanoparticles (SNPs) to produce a nano-foam (MS/SNPs). Adsorption isotherm studies, including the Langmuir and Freundlich models, were utilized to investigate the adsorption of MS onto SNPs. Additionally, the physicochemical properties of the MS/SNPs foam, such as bubble size, foamability, foam stability, interfacial tension (IFT), and contact angle (CA), were thoroughly examined. The results indicate that the MS synthesis was successful, with significant adsorption capacity onto SNPs. The maximum adsorption was achieved with 4 wt% MS and 0.4 wt% SNPs at 50°C and pH 9, fitting well with the Freundlich isotherm model, showing an R2 value of 0.9725. According to the Ross-Miles foam test, MS exhibited greater foamability and stability, albeit with lower morphological quality compared to MS/SNPs. Notably, MS/SNPs reduced the IFT of the oil/brine system from 6.22 mN/m to a remarkably low 0.08 mN/m. Moreover, MS/SNPs altered the rock/oil wettability by 24%, favoring more wettable conditions. Moringa ; Wetting ; Surface tension ; Reduction (mathematics) ; Materials science ; Chemistry ; Chemical engineering ; Composite material ; Food science ; Mathematics ; Engineering ; Thermodynamics Pickering emulsions and particle stabilization
Authors: Sirsendu Das Adhikary | Gourisankar Roymahapatra | B.G. Chand | Joydev Dinda
Source: ES chemistry and sustainability. (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Structural and Spectroscopic Characterization of Trinuclear Ag(I) / Cu(I)-N-Heterocyclic Carbene Clusters of 1,3-bis(2-pyridylmethyl)-1H benzimidazolium hexafluorophosphate The trinuclear Ag- / Cu- clusters are the intriguing manifestation of selective ‘argentophilic’ and ‘cuprophilic’ metal-metal interactions originating the shape and electronic characteristics of metal-NHC complexes. Hexafluorophosphate ; Carbene ; Chemistry ; Characterization (materials science) ; Stereochemistry ; Medicinal chemistry ; Crystallography ; Organic chemistry ; Materials science ; Nanotechnology ; Ionic liquid ; Catalysis N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Magnetism in coordination complexes
Authors: Violeta Martínez | Farhang Shadman
Source: Journal of Applied Mathematics and Physics (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Mathematical Modeling for Optimizing the Structural Properties of Catalysts Used for Series Multiple Reactions One of the main challenges in the design and operation of catalytic reactors for reactions with multiple paths/steps is the occurrence of undesirable reactions and products. In these cases, two main factors need to be considered in the reactor performance: the “conversion” of the feed and the “selectivity” of the process, which is the conversion split between the desired and the undesired products. In this work, a comprehensive model is developed and used to assess the impact of pore-size distribution (PSD) on both conversion and selectivity in series catalytic reactions. In particular, the evaluation considers the effects of various combinations of micro- and macro-porosity, the potential advantages of radial variation of the porosity in the catalyst pellets, and the effect of pellet size. Results show that, for series reactions, when the formation of the desired product is followed by an undesirable degradation reaction, higher porosity in pellets, particularly in the micro-range, gives higher overall conversion, but lowers selectivity towards the formation of the desired product. Selectivity in these pellets can be improved by using a non-uniform PSD that provides a radial gradient of effective diffusivity in pellets increasing from the center to the outer pellet surface. The pellet size also has a significant effect, and larger pellets show lower selectivity in most cases. In general, conversion and selectivity trends move in opposite directions with changes in PSD and the pore structural properties of pellets. Therefore, finding the optimum design of pellets is an optimization process that requires process modeling. Consequently, selecting the best catalyst properties involves optimization, and the needed tool is a comprehensive mathematical model that takes into account the details of mass transport and reaction kinetics in the catalyst pellets. Our primary objective has been the development of a flexible mathematical model that would be applicable to a wide range of conditions and can be used as a design tool and an optimization platform. Series (stratigraphy) ; Catalysis ; Computer science ; Applied mathematics ; Mathematical optimization ; Mathematics ; Chemistry ; Organic chemistry ; Geology Zeolite Catalysis and Synthesis ; Catalysis and Oxidation Reactions ; Catalysis and Hydrodesulfurization Studies
Authors: Tsubasa Kinugawa | Seishu Mitsusada | Naoki Orito | Takashi Matsuo
Source: ACS Omega (article, 2024-12-17)
Field: Chemistry — Organic Chemistry

Synthesis and Reactivity of an Olefin Metathesis-Catalyzing Ruthenium Complex with a Selenoether Moiety in the Benzylidene Ligand A Hoveyda-Grubbs (HG)-type olefin metathesis complex with a selenoether moiety at the terminus of phenoxy moiety was synthesized. The complex showed direct selenium-atom coordination to the ruthenium center, resulting in higher thermodynamic stability compared with the parent HG catalyst. The selenium atom binding enhanced the tolerance to protic solvent molecules in ring-closing metathesis of <i>N</i>-tosyldiallylamide and diethyl diallylmalonate, and also in the cross metathesis between 3-butenylbenzoate and methyl acrylate. The large activation enthalpy observed in the reaction with <i>n</i>-butyl vinyl ether indicated an increased contribution of the "dissociative mechanism" during the initiation of the catalytic cycle. Introducing coordinative atoms or functional groups at the terminal of the phenoxy moiety is a useful strategy to regulate the thermostability of HG-type olefin metathesis catalysts. Moiety ; Ruthenium ; Chemistry ; Metathesis ; Reactivity (psychology) ; Ring-opening metathesis polymerisation ; Acyclic diene metathesis ; Ligand (biochemistry) ; Catalysis ; Medicinal chemistry ; Polymer chemistry ; Combinatorial chemistry ; Organic chemistry ; Polymerization Synthetic Organic Chemistry Methods ; Organometallic Complex Synthesis and Catalysis ; Advanced Synthetic Organic Chemistry
Authors: Pratheek | B G Hegde | S. V. Bhat
Source: Research Square (preprint, 2024-01-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Microwave-Assisted Reverse Micellar Synthesis of Sm0.42Ca0.58MnO3 Nanoparticles Abstract The control of size and dispersity of particles is a crucial aspect of nanoparticle preparation. In this work we report on microwave assisted reverse micelle method of preparation of nanoparticles of the doped rare earth manganite Sm 0.42 Ca 0.58 MnO 3 and compare the results with those obtained from conventional sonication assisted reverse micelle method. We find that the microwave assisted method enables the preparation of particles of smaller size and minimal polydispersity. The study of such particles may lead to the resolution of the longstanding issue of the nature of the charge order (CO) melting in nanomangnites, namely whether the size induced melting of CO in nanomangnites is complete or some residual short-range CO still persists. Nanoparticle ; Microwave ; Materials science ; Nanotechnology ; Chemistry ; Computer science ; Telecommunications Magnetic and transport properties of perovskites and related materials ; Catalytic Processes in Materials Science ; nanoparticles nucleation surface interactions
Authors: Mohamed Tahir, Mohamed Ibrahim | Abdullah, Abdul Halim | Raman, Velan | Md Yusof, Enis Nadia
Source: Universiti Putra Malaysia Institutional Repository (Universiti Putra Malaysia) (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

A review on the synthesis strategies and factors contributing to the formation of zeolitic imidazolate frameworks (ZIFs) and their applications Zeolitic Imidazolate Frameworks (ZIFs) are a subclass of Metal-Organic Frameworks (MOFs) that have attracted significant attention due to their unique properties such as high surface area, tunable pore size, and excellent thermal and chemical stability. The review aims to discuss reported single and mixed-linker of ZIFs. The synthesis of ZIFs can be achieved through various methods such as solvothermal, hydrothermal, ionothermal, microwave-assisted, sonochemical, contra-diffusion synthesis, and mechanochemical. The review discusses the benefits and disadvantages of each method as well as a critical analysis of their effectiveness. The synthesis factors of ZIFs are classified into several types such as organic solvents, additives, concentration, temperatures, metal salt variations and the reaction time. Furthermore, the paper highlights several applications of ZIFs, including their impact on adsorption of pollutants, catalysis and drug delivery system. The paper concludes by summarising the recent advances in ZIFs research which leads to future directions for further research in this field. Zeolitic imidazolate framework ; Metal-organic framework ; Drug delivery ; Catalysis ; Adsorption ; Imidazolate Metal-Organic Frameworks: Synthesis and Applications ; Multicomponent Synthesis of Heterocycles ; Covalent Organic Framework Applications
Authors: Zhiliang Li | Lukun Li
Source: ChemRxiv (preprint, 2024-12-11)
Field: Materials Science — Biomaterials

Harnessing Hydrophobic and π-π Interactions to Manipulate Kinetics of Aqueous Self-Assembly for Tailorable Architectures and Functions Precise control over molecular arrangements and interactions is crucial for advancing the structures and properties of π-systems. However, significant hydrophobic effects complicate the regulation of their aggregation pathways and kinetics in water, challenging the design of materials with optimizable attributes. Herein, we introduce a series of porphyrins, each featuring a short cationic chain differing only in linkage. This design achieves precise kinetic control of porphyrin aggregation in water by leveraging hydrophobic interactions, enabling customizable architectures and functions. Specifically, these porphyrins initially aggregate into kinetically trapped states, where more hydrophilic chain linkages weaken the H-type π-interactions without altering the aggregation mode. This destabilization, however, reduces the energy barrier for transitioning via an “on-pathway” route to thermodynamically stable states characterized by distinct J-type stacking and strongly enhanced excitonic coupling. Consequently, this kinetic regulation of aggregation pathways facilitates seed-induced supramolecular assembly of porphyrins, yielding ultrathin nanosheets with outstanding uniformity and water-solubility. Moreover, differences in π-stacking patterns and excitonic interactions between the kinetic and thermodynamic assemblies give rise to distinct photosensitization behaviors, selectively generating singlet oxygen and superoxide, respectively. This work harnesses the intricate aqueous aggregation pathways of π-systems and provides insights into optimizing their supramolecular structures and functionalities. Stacking ; Supramolecular chemistry ; Porphyrin ; Aqueous solution ; Hydrophobic effect ; Chemistry ; Kinetics ; Cationic polymerization ; Self-assembly ; Chemical physics ; Nanotechnology ; Materials science ; Molecule ; Photochemistry ; Organic chemistry Supramolecular Self-Assembly in Materials ; Porphyrin and Phthalocyanine Chemistry ; Supramolecular Chemistry and Complexes
Authors: Mohammed A. Dakhil | Mustafa Kadhum Naeem | Farked Wahoodi Salman | Ali Jabbar Radhi
Source: Microbial Bioactives (article, 2024-05-01)
Field: Chemistry — Organic Chemistry

Synthesis and Evaluation of 1,2,3-Triazole Derivatives of Sulfamethoxazole as Potential Antimicrobial Agents Background: Sulfamethoxazole, a commonly used antibiotic, has faced challenges due to emerging resistant bacterial strains. Recent efforts have focused on synthesizing sulfamethoxazole derivatives incorporating 1,2,3-triazole heterocycles, known for their diverse pharmacological activities. Methods: The synthesis of azido sulfamethoxazole and its subsequent transformation into 1,2,3-triazole derivatives (1t, 2t, and 3t) were achieved through copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions. Characterization of synthesized compounds was performed using FT-IR and NMR spectroscopy. Antibacterial activity against Escherichia coli and Staphylococcus aureus was evaluated using the diffusion method on Mueller-Hinton agar. Molecular docking studies were conducted to predict interactions between synthesized compounds and bacterial proteins. Results: Successful synthesis of azido sulfamethoxazole and 1,2,3-triazole derivatives was confirmed through spectroscopic analyses. The derivatives exhibited promising antibacterial activity against both Gram-negative and Gram-positive bacteria, with some compounds showing synergistic effects when combined with existing antibiotics. Molecular docking studies revealed potential binding interactions between the synthesized compounds and bacterial proteins. Conclusion: The study demonstrated the effective synthesis of novel sulfamethoxazole derivatives incorporating 1,2,3-triazole heterocycles, exhibiting significant antibacterial activity. Antimicrobial ; Sulfamethoxazole ; Combinatorial chemistry ; Chemistry ; Triazole ; Organic chemistry ; Antibiotics ; Biochemistry Synthesis and Biological Evaluation ; Synthesis and biological activity ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Erik Schumann | Erica Brendler | Uwe Böhme | Florian Mertens
Source: Solids (article, 2024-12-04)
Field: Chemistry — Inorganic Chemistry

Unexpected Polymerization of Carbamate-Bridged {Al3(μ3−O)}7+ Complex Units The literature on aluminum coordination networks so far contains data on COO-bridged derivatives exclusively. This paper addresses the question whether or not aluminum complexes, especially carbamate-bridged {Al3(μ3−O)}7+ units, can also form networks via the neutral ligand positions. Our findings show that a highly unexpected polymerization of the aluminum carbamates can occur during the isolation of the initially targeted compound. Although bidentate ligands bind to the neutral ligand coordination sites as expected, they do not act as linker molecules but cause an uncontrolled networking via the carbamate ligands. One- and two-dimensional solution and solid-state NMR experiments were primarily used to investigate the coordination behavior of the ligands and to elucidate the actual obtained product. Carbamate ; Polymerization ; Chemistry ; Polymer chemistry ; Organic chemistry ; Polymer Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; Covalent Organic Framework Applications
Authors: K. Prasada Rao | Chennamsetty Subramanyam | Meson Haji Basha | Mohan Seelam | K. Kiran Kumar | V. Lakshmi | C. Gladis Raja Malar
Source: Organic Communications (article, 2024-12-30)
Field: Chemistry — Organic Chemistry

Ultrasound-assisted synthesis of α-aminophosphonates using nano ZnO catalyst: evaluation of their anti-diabetic activity A more efficient and environmentally friendly way of synthesizing -aminophosphonates is achieved by employing nano-ZnO to catalyze the Kabachnik-Fields reaction under ultrasonication within a solvent-free environment.Before synthesis, molecular docking and in silico ADME analysis were used to assess each molecule's drug-like characteristics and ability to inhibit -amylase and -glucosidase.The newly synthesized compounds' in vitro inhibitory effects on -amylase and -glucosidase were also evaluated, and their structure was confirmed using spectroscopic investigation.The target enzyme was effectively inhibited by most of the substances.In comparison to the reference drug, acarbose (IC50, 106.50.6 g/mL), compounds 4d (IC50, 102.20.3 g/mL), 4h (IC50, 102.90.4 g/mL), which contained a 2H-1,3-benzodioxol-5-yl moiety, and 4i (IC50, 103.90.5 g/mL) showed the strongest inhibitory activity.The enzyme inhibition of the remaining compounds ranged from moderate to good. Catalysis ; Nano- ; Ultrasound ; Materials science ; Nuclear chemistry ; Nanotechnology ; Chemistry ; Medicine ; Organic chemistry ; Composite material ; Radiology Organophosphorus compounds synthesis ; Phosphorus compounds and reactions ; Multicomponent Synthesis of Heterocycles
Authors: Hema Kundra | Archana Dagar | Himani Rathi | Ambika Tundwal | Parsan Kaur | Santosh Kumar Singh
Source: International Journal of Science and Research Archive (review, 2024-12-11)
Field: Chemistry — Inorganic Chemistry

Sustainable remediation of dye pollutants using ash-based photocatalytic nanocomposites: A Comprehensive Review Rapid industrialization and human activities have resulted in severe issues with organic pollutants, particularly dyes, that increase challenges in the management of wastewater. This review focuses on the sustainability and cost-effectiveness of ash-based photocatalytic nanocomposites in the removal of dyes from wastewater. Ash is the most abundant by-product derived from industrial and agricultural practices. Due to its remarkable adsorption capacity and interesting physicochemical properties, ash has emerged as one of the promising support materials for photocatalysts. The nanocomposites show enhanced degradation efficiency for various dyes by exploiting the synergistic effects of ash's adsorption capabilities and the photocatalytic activity of semiconductor materials. This review discusses synthesis methods, characterization techniques, and photocatalytic performance of ash-based nanocomposites in detail and discusses the challenges associated with stability, reusability, and practical implementation in industrial applications. Highlighting the "waste to wealth" strategy, the review underscores the dual benefits of mitigating environmental issues associated with ash disposal and advancing sustainable wastewater treatment solutions. Future research directions are proposed to optimize performance and scalability. Environmental remediation ; Pollutant ; Photocatalysis ; Environmental science ; Nanocomposite ; Environmental chemistry ; Waste management ; Materials science ; Chemistry ; Contamination ; Nanotechnology ; Engineering ; Catalysis Pigment Synthesis and Properties ; Adsorption and biosorption for pollutant removal ; Nanomaterials for catalytic reactions