jablonkagroup/rise_ai_scientists huggingface dataset:
Source: Malaysian Journal of Chemistry (article, 2025-10-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis, Characterization, and Determination of Liquid Crystal Properties of Symmetrical Amide-Based Molecules A series of new hybrid amide-based liquid crystals was successfully synthesized and characterized.The 4-alkoxybenzoic acids (1a-b) were synthesized via the alkylation and subsequent saponification of methyl 4-hydroxybenzoate using heptyl and decyl bromide, respectively.The amidation of compounds 1a-b with thionyl chloride and 1,4-phenylenediamine yielded N,N'-(1,4-phenylene)bis(4-substituted benzamides) (2a-b), which possess a symmetrical structure.These compounds were characterized using Fourier transfo rm infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and CHN elemental analysis.The determination and conformation of liquid crystal properties were achieved using polarized optical microscope (POM) and differential scanning calorimetry (DSC).The main functional groups in compounds 2a-b can be seen in the FT-IR spectrum by the characteristic stretching vibrations of Csp3-H, C=O, C=C, and C-O stretching at ~ 2900 and 2850, 1700, 1600, and 1290 cm -1 , respectively.In the 1 H-NMR spectrum, a singlet peak at 9.24 ppm showed the presence of amino groups in the compound, indicating the successful formation of amide linkage.Compounds 2a-b show nematic phase with schlieren texture at 131.4 and 130.9 , respectively.The DSC thermograms of compounds 2a-b demonstrate two transitions, thus confirming the presence liquid crystals transition.The structure property relationship between the alkyl chains, symmetrical structure, and linkage units serves as the main factor influencing the presence of mesophase. Molecule ; Liquid crystal ; Crystal (programming language) ; Crystal structure ; Phase (matter) Liquid Crystal Research Advancements ; Molecular Sensors and Ion Detection ; Chemical Synthesis and Analysis
Authors: Nilay U. Pandya
Source: INTERNATIONAL JOURNAL OF RESEARCH AND ANALYTICAL REVIEWS (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

A Short Review on Recent Synthetic Advancements as well as Multifaceted Biological Activity Profile of Thiazolidinone Moieties UGC-CARE list, New UGC-CARE Reference List, UGC CARE Journals, ugc care list of journal, ugc care list, UGC Approved list, list of ugc approved journal, ugc approved journal,IJRAR - international Research Journal,IJRAR.ORG,Ijrar.org, International Journal of Research and Analytical Reviews (IJRAR) , UGC Approved journal, ugc approved,ugc, ugc certify, publish free of cost, free publication, UGC and ISSN Approved , International Peer Reviewed, Open Access Journal , e ISSN 2348 –1269, Print ISSN 2349-5138, ISSN: 2348 –1269, Impact Factor : 5.75 , E- journal, Low Cost INR 500, Free Publication Publication ; Download ; MEDLINE ; Impact factor ; Editorial board Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles ; Synthesis and Reactivity of Sulfur-Containing Compounds
Authors: Lili Sun | J. Gutiérrez | David Gatineau | Romain Sanahuges | Mathieu Curtil | Christian Philouze | Sebastian Dechert | Serhiy Demeshko | Timothy A. Jackson | Franc Meyer | Carole Duboc | Marcello Gennari
Source: Inorganic Chemistry (article, 2025-08-05)
Field: Chemistry — Inorganic Chemistry

Non-Heme Tri-Iron(II) Complex as a Precursor for Dioxygen Activation and Oxygen Reduction Reaction Catalysis Nonheme iron catalysts are attractive for bioinspired aerobic oxidations and oxygenations, as well as for the oxygen reduction reaction (ORR), although their potential in ORR remains largely underexploited. This study presents a rare example of such a system, displaying O<sub>2</sub> activation activity and ORR catalytic selectivity toward H<sub>2</sub>O generation. The triiron(II) complex [Fe<sup>II</sup>L]<sub>3</sub>(BF<sub>4</sub>)<sub>3</sub>, where L<sup>-</sup> is a thiolate-containing N3S donor bis(2-pyridylmethyl)amine derivative, was fully characterized in the solid state and in MeCN solution, where it dissociates into the mononuclear solvent adduct [FeL(MeCN)]<sup>+</sup>. Upon exposure to O<sub>2</sub> in an acetonitrile solution, [FeL(MeCN)]<sup>+</sup> generates a μ-oxo diiron(III), that further evolves to an adduct featuring an original {Fe<sub>4</sub>OF<sub>5</sub>}<sup>3+</sup> core. In the presence of 2,6-lutidinium tetrafluoroborate (proton source), and octamethylferrocene (reducing agent), [FeL(MeCN)]<sup>+</sup> catalyzes the ORR with exclusive production of H<sub>2</sub>O. This system is finally discussed with respect to a few other reported nonheme Fe-based ORR catalysts operating under chemical conditions. Chemistry ; Catalysis ; Heme ; Oxygen ; Transition metal dioxygen complex ; Oxygen reduction reaction ; Reduction (mathematics) ; Photochemistry ; Organic chemistry ; Electrochemistry ; Physical chemistry ; Enzyme Metal-Catalyzed Oxygenation Mechanisms ; Metal complexes synthesis and properties ; Electrocatalysts for Energy Conversion
Authors: Lewis G. Parker | Frances Towers Tompkins | Jake M. Seymour | Najaat Alblewi | Ekaterina Gousseva | Megan R. Daw | Shusaku Hayama | Richard P. Matthews | Adam E. A. Fouda | Joshua D. Elliott | Christopher D. Smith | Kevin R. J. Lovelock
Source: Communications Chemistry (article, 2025-10-03)
Field: Chemistry — Inorganic Chemistry

Determining structure and Zn-specific Lewis acid-base descriptors for diorganozincs in non-coordinating solvents using X-ray spectroscopy Diorganozinc reagents (ZnR<sub>2</sub>, e.g. R = Et, Ph, C<sub>6</sub>F<sub>5</sub>) are widely used as Lewis acid catalysts or Lewis base reagents in their own right. However, descriptors for predicting the influence of the R substituent on ZnR<sub>2</sub> Lewis acidity/basicity are very sparse. This is because ZnR<sub>2</sub> liquid-phase speciation and electronic structure are unknown to date due to zinc's 'spectroscopically quiet' nature and inability to measure 'at zinc'. Here, we identify the geometric structures of ZnR<sub>2</sub> in weakly coordinating solvents, demonstrating that electronic structure factors will dominate reactivity. We quantify the electronic structure properties that dictate ZnR<sub>2</sub> Lewis acidity/basicity using three newly developed zinc-specific descriptors by combining the results from three zinc-specific X-ray spectroscopy methods and calculations. We provide accessible methods to pre-screen ZnR<sub>2</sub> reactivity. Furthermore, our X-ray spectroscopy toolkit offers opportunities to develop liquid-phase descriptors that dictate reactivity for other zinc species, e.g. zinc bis-amides, battery electrolytes and enzymes. Lewis acids and bases ; Spectroscopy ; Electronic structure ; Reactivity (psychology) ; Zinc ; Reagent ; Measure (data warehouse) ; Electron spectroscopy Inorganic Chemistry and Materials ; Machine Learning in Materials Science ; Organometallic Complex Synthesis and Catalysis
Authors: Youwei Xie | Qing Huang | Yao Xiang | Yaqi Wu | Yuzhu Zheng | Rong‐Zhen Liao
Source: Research Square (preprint, 2025-02-12)
Field: Chemistry — Inorganic Chemistry

Methylations with Methanol via Bioinspired Catalytic C–O bond Cleavage Catalysis ; Cleavage (geology) ; Methanol ; Bond cleavage ; Chemistry ; Materials science ; Organic chemistry ; Composite material Asymmetric Hydrogenation and Catalysis ; Synthesis and Catalytic Reactions ; Catalytic C–H Functionalization Methods
Authors: Tim Tetičkovič | Dušan Klinar | Klavdija Rižnar | Darja Pečar
Source: Preprints.org (preprint, 2025-10-14)
Field: Materials Science — Polymers and Plastics

From Polymerization to Pyrolysis: Mechanistic Pathways and Product Selectivity in Polyolefins and PVC in New Perspective Plastics streams dominated by polyolefins and PVC demand a design framework that links synthesis to end-of-life reactivity. This work integrates polymerization-derived microstructure with depolymerization mechanisms to guide selective valorization. We synthesize mechanistic and kinetic evidence connecting coordination and radical polymerization (linear HDPE, branched LDPE, stereoregular PP; PVC with backbone C–Cl) to degradation pathways, and evaluate catalytic topologies (Brønsted/Lewis acidity, framework Al siting, micro/mesoporosity), initiators, and termination/quench strategies under relevant process variables (temperature, heating rate, vapor residence time, pressure). The analysis shows that microstructure prescribes reaction manifolds and attainable product slates: strong Brønsted acidity and shape-selective micropores favor C₂–C₄ olefins and BTX, whereas weaker acidity and hierarchical porosity preserve chain length to paraffinic oils/waxes; mesopore enrichment shortens contact times and suppresses secondary cracking; initiators lower onset energies and expand operability; diffusion management and surface passivation mitigate deactivation. For PVC, continuous HCl removal and basic/redox co-catalysts or ionic liquids lower dehydrochlorination temperatures and yield cleaner fractions, making staged dechlorination followed by residue cracking essential. Framing process design as “polymerization → structure → depolymerization” enables predictive yield targeting and energy-lean operation across mixed wastes, providing actionable guidance on catalyst selection, severity and residence-time control, regeneration, and integrated halogen management. Polymerization ; Catalysis ; Depolymerization ; Reusability ; Microstructure ; Polymer ; Ionic liquid ; Yield (engineering) ; Adsorption Polymer Science and PVC
Authors: Zhifeng Wu | Qingsong Yang | You‐Song Ding | Zhiping Zheng
Source: Inorganics (article, 2025-12-17)
Field: Materials Science — Materials Chemistry

Divalent Europium Complexes with Phenochalcogenato Ligands: Syntheses, Crystal Structures, and Luminescence Properties Divalent europium complexes have attracted significant attention in various fields due to the unique electronic configuration of the Eu(II) ion. Given the high sensitivity of the 5d → 4f emission of Eu(II) ions to the ligand field, it is crucial to explore the relationship between ligands and this emission in Eu(II) complexes. However, the heavy-atom effects on the 5d → 4f emission of Eu(II) complexes coordinated with non-metal elements in the same group remain unclear. In this study, five mononuclear Eu(II)-chalcogenide complexes, Eu[H3B·EPh-κE,H,H]2(DME)2 (E = S for 1 and Se for 2; DME = 1,2-Dimethoxyethane) and Eu[EPh]2(18-C-6) (E = S for 3, Se for 4, and Te for 5; 18-C-6 = 1,4,7,10,13,16-Hexaoxacyclooctadecane), were synthesized via reduction of diphenyl disulfide chalcogenide analogs with Eu(BH4)2(THF)2 or NaH. The structures of these complexes were investigated by single-crystal X-ray diffraction, and their properties were characterized by thermogravimetric analysis and photophysical property tests. Complexes 1 and 2 are isomorphous and show similar yellowish-green luminescence, while complexes 3–5 have similar structures but crystallize in different space groups with bluish-green luminescence. This research reveals the influence of chalcogenide ligands on the 5d → 4f emission of Eu(II) complexes, providing a theoretical basis and new research ideas for the application of Eu(II) complexes in various fields, including luminescent materials, cryogenic refrigerants, and magnetic materials. Europium ; Chalcogenide ; Luminescence ; Ligand (biochemistry) ; Thermogravimetric analysis ; Crystal structure ; Divalent ; Ion Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; Luminescence Properties of Advanced Materials
Authors: Juan Casanova‐Cháfer | Pedro Atienzar | Carla Bittencourt
Source: Plasma (article, 2025-08-22)
Field: Materials Science — Materials Chemistry

Fluorine Plasma Functionalization of Borophene Nanoflakes Theoretical studies have indicated that borophene is a promising two-dimensional material characterized by remarkable chemical, mechanical, and electrical properties. Nonetheless, its practical applications in areas such as catalysis and gas sensing are hindered by the limited density of reactive sites in its pristine form. To address this limitation, the present study explores the controlled fluorination of borophene nanoflakes as a strategy to modify their surface chemistry and enhance the availability of active sites. Furthermore, it is anticipated that surface fluorination will improve hydrophobicity, which is crucial for reducing humidity-related interference in sensing applications. In this study, we report the successful functionalization of borophene nanoflakes with fluorine using a plasma arc discharge technique for the first time. Borophene nanolayers were synthesized via a sonochemical-assisted exfoliation method, yielding nanosheets with an average lateral dimension of approximately 100 nm. The fluorinated samples were characterized using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and high-resolution transmission electron microscopy (HRTEM). A systematic investigation of plasma exposure durations demonstrated that fluorine was effectively introduced as a dopant while maintaining the crystallinity of the borophene lattice. Surface modification ; Borophene ; Plasma ; Fluorine ; Materials science ; Nanotechnology ; Chemical engineering ; Metallurgy ; Engineering ; Physics ; Graphene Boron and Carbon Nanomaterials Research ; Diamond and Carbon-based Materials Research ; Metal and Thin Film Mechanics
Authors: Dimitris Tsiourvas | Zili Sideratou | Eleni Mavrogonatou | Dimitris Kletsas | Vicky Sophianopoulou | Spiros Gerostathis
Source: Scientific Reports (article, 2025-07-16)
Field: Chemistry — Organic Chemistry

The effect of copper on the antifungal activity of polyethyleneimines against quiescent conidia and germlings of Aspergillus nidulans The increase in the number of immunocompromised individuals combined with the severity of fungal infections in the general population has contributed to a significant increase in opportunistic fungal infections, which are often associated with high mortality rates. Although effective, existing antifungal drugs operate via a narrow range of mechanisms, leading to the rapid development of resistance and they primarily target growing host cells. Therefore, the need to develop next-generation antifungal agents that function via a broad range of mechanisms and/or target dormant/quiescent cells is highly important. In the present study, we investigated the characteristics and potential antifungal properties of a series of copper-chelated hyperbranched polyethyleneimines (PEI-Cu) with various molar ratios of Cu<sup>2+</sup>:primary amino groups of PEI (Cu: N), using the opportunistic pathogen Aspergillus nidulans as a model microorganism. Our results showed that PEI-Cu¼ and PEI-Cu¹⁄₁₆ complexes with Cu: N molar ratios of 1:4 and 1:16, respectively, retain the fungicidal activity of PEI. Cu<sup>2+</sup> chelation seemed to delay the internalization of PEI-Cu, but they were found to exhibit apparent fungicidal activity on A. nidulans quiescent conidiospores while they affected hyphal growth rate, redox status and mitochondrial network morphology in A. nidulans germlings. In addition, no cytotoxic effects were observed on normal human skin fibroblasts at concentrations or incubation times that were entirely inhibitory for A. nidulans. Overall, our results suggest that the investigated PEI-Cu complexes are promising antifungals, and their underlying mechanism of action deserves further investigation, especially for use against drug-resistant quiescent fungal cells. Aspergillus nidulans ; Conidium ; Antifungal ; Microbiology ; Aspergillus ; Copper ; Fungus ; Biology ; Fungicide ; Botany ; Chemistry ; Biochemistry ; Gene ; Organic chemistry Antimicrobial agents and applications ; Nanocomposite Films for Food Packaging ; Microplastics and Plastic Pollution
Authors: Zuzana Silná | Pavol Lopatka | Tomáš Soták
Source: Reaction Kinetics Mechanisms and Catalysis (article, 2025-07-02)
Field: Chemistry — Organic Chemistry

Zeolites as efficient catalysts for synthesis of cyclopentyl ethyl ether Abstract Hereby, we applied a previously developed method of zeolite-catalyzed gas phase synthesis of unsymmetric ethers for a homologous compound to previously synthesized cyclopentyl methyl ether (CPME)—cyclopentyl ethyl ether (CPEE). This synthesis utilized two bio-based alcohols as feed—cyclopentanol (CYPol) in a mixture with ethanol. From a tested group of commercially available zeolites (FER, MOR, BEA, Y, ZSM-5) the best CYPol conversion and selectivity to CPEE was achieved with medium-pore ZSM-5. We further used this zeolite to investigate the effect of reaction temperature and Si/Al ratio, as well as stability and recyclability of the catalyst. At optimized reaction conditions, we achieved selectivity to CPEE of 72% at CYPol conversion of almost 90%. High reaction temperatures, as well as high acid site concentrations in zeolite lead to favoring CYPol dehydration into cyclopentene over etherification. The catalyst exhibited high stability and good recyclability by calcination. We achieved comparable CPEE selectivity at CYPol conversion under mild reaction conditions to the previously documented CPME synthesis, which is a novel green solvent that utilizes a toxic reagent (methanol) for its production. Catalysis ; Ether ; Chemistry ; Combinatorial chemistry ; Organic chemistry Chemical Synthesis and Reactions ; Catalysis for Biomass Conversion ; Zeolite Catalysis and Synthesis
Authors: Songqing Wu | Youbin Peng | Chongyu Han | Feng Gao | Xiaohong Huo | Wanbin Zhang
Source: Chemistry - A European Journal (review, 2025-12-12)
Field: Chemistry — Organic Chemistry

Transition‐Metal‐Catalyzed Asymmetric Benzylic Substitutions Through <i>η</i> <sup>3</sup> ‐Benzyl‐Metal Intermediates Although transition-metal-catalyzed asymmetric benzylic substitution is conceptually analogous to asymmetric allylic substitution, proceeding via η<sup>3</sup>-benzyl-metal and η<sup>3</sup>-allyl-metal intermediates, respectively, the development of the former, involving benzylic electrophiles, has received comparatively less attention within the synthetic community. This limited progress is largely attributed to the low reactivity of benzylic electrophiles and the associated challenge in achieving stereoselective control. Over the past several decades, different catalytic strategies, such as single metal catalysis, bimetallic catalysis, metal/organo catalysis, and ternary catalysis, have been developed to address these challenges. Asymmetric versions of these transformations have also been established, enabling the construction of stereocenters either at the benzylic electrophiles, at nucleophile, or simultaneously at both sites. This review provides a comprehensive overview of this field from its inception to the present. It summarizes advances in substrate scope, mechanistic understanding, synthetic applications, and remaining challenges, with the aim of fostering further progress in this emerging area. Electrophile ; Stereocenter ; Allylic rearrangement ; Bimetallic strip ; Stereoselectivity ; Reactivity (psychology) ; Substitution (logic) ; Enantioselective synthesis Asymmetric Synthesis and Catalysis ; Cyclopropane Reaction Mechanisms ; Organoboron and organosilicon chemistry
Authors: Zikang Ma | Lin Wan | Yang Ji | Weifan Wang | Gang Zhang
Source: Chemistry - A European Journal (article, 2025-04-16)
Field: Chemistry — Organic Chemistry

π‐Extended Nitrogen‐Doped Molecular Bowls Comprising Adjacent Pentagons While the classical buckybowls, such as corannulene, and sumanene, have been extensively investigated, research on other molecular bowls containing double neighboring pentagonal rings remains underdeveloped. Here we present the synthesis of nitrogen-doped molecular bowls incorporating adjacent pentagonal motifs with an extended π-conjugated surface. Their molecular curvatures are preserved according to the analyses of bowl-depth, π-orbital axis vector angles, and inversion energy barrier when compared to those of their parent structures. The extended π-conjugation induces the bathochromic shifts of both absorption and emission spectra, the narrowed energy gaps of the frontier molecular orbitals, as well as the enhanced aromatic character in the fused pentagonal rings. Furthermore, the extended aromatic surface enables the binding with fullerene C<sub>60</sub> in solution. Bathochromic shift ; Corannulene ; Molecular orbital ; Conjugated system ; Fullerene ; Crystallography ; Molecule ; Chemistry ; Materials science ; Aromaticity ; Chemical physics ; Physics ; Optics ; Organic chemistry Fullerene Chemistry and Applications ; Synthesis and Properties of Aromatic Compounds ; Molecular Junctions and Nanostructures
Authors: Muhand Dohan Abid
Source: Cognizance Journal of Multidisciplinary Studies (article, 2025-09-30)
Field: Chemistry — Organic Chemistry

Synthesis, Characterization, and Antibacterial Evaluation of Ag(I) and Pd(II) N-Heterocyclic Carbene Complexes Derived from Imidazolium Precursors Silver (I) and palladium (II) NHC complexes were prepared in this work from imidazolium chloride precursors. With imidazolium salt N-(1H-imidazol-1-yl) acetyl-morpholine as the substrate, we were able to prepare stable Ag--NHC and Pd--NHC complexes through coordination reactions. The existence and structure of these complexes were established by FT-IR, H NMR, C NMR and mass spectrometry, which gave strong evidence that our purposed products were indeed formed. Preliminary antibacterial tests showed that the two types of complex do effectively suppress Gram-positive bacteria and in addition, can also attack some Gram negative ones. This makes them very promising for future research as drugs against infection. NHC ring systems are therefore shown convincingly to be an ideal foundation for constructing a large variety of antibacterial agents. This will open up entirely new avenues in pharmacological research. Carbene ; Salt (chemistry) ; Antibacterial activity ; Ring (chemistry) ; Palladium ; Chloride ; Ideal (ethics) N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Microwave-Assisted Synthesis and Applications
Authors: Raluca Ioana Baron | Andreea Laura Chibac-Scutaru | Gabriela Biliuță | Sergiu Coseri
Source: Cellulose Chemistry and Technology (article, 2025-10-10)
Field: Materials Science — Biomaterials

SYNERGISTIC REINFORCEMENT: HARNESSING NANOCELLULOSE FOR ROBUST DOUBLE NETWORK HYDROGELS Double-network (DN) hydrogels combine two interpenetrating polymer networks with contrasting roles: a brittle, rigid primary network that dissipates energy through sacrificial bond breakage, and a flexible secondary network that maintains integrity. This architecture imparts exceptional toughness, stretchability, and crack resistance, making DN hydrogels valuable for biomedical, soft robotics, and energy-storage applications. Incorporating natural polymers, particularly nanostructured biopolymers like nanocellulose, enhances biocompatibility, sustainability, and tunability. This review outlines DN hydrogel design principles and nanocellulose structures, focusing on their role in polyacrylamide (PAM) and polyvinyl alcohol (PVA) matrices. Emphasis is placed on how cellulose nanofibers (CNF) improve mechanical strength, stability, and dynamic response through entanglement, hydrogen bonding, and nanoconfinement. The review concludes with challenges and future opportunities for nanocellulose-based DN hydrogels in multifunctional and sustainable material design. Nanocellulose ; Self-healing hydrogels ; Nanofiber ; Cellulose ; Polyvinyl alcohol ; Bacterial cellulose ; Polymer Advanced Cellulose Research Studies ; Electrospun Nanofibers in Biomedical Applications ; Advanced Materials and Mechanics