jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Stephen Ornes
Source: Proceedings of the National Academy of Sciences (article, 2025-05-28)
Field: Materials Science — Materials Chemistry

Laser-induced graphene points to sustainable electronics Despite being just one atom thick, graphene is stronger than steel, lighter than aluminum, and a superb conductor of both heat and electricity.Research suggests that graphene, a two-dimensional honeycomb lattice of carbon, can boost the performance and efficiency of solar cells, computer chips, and myriad other electronics.Even so, its applications to date are somewhat niche-it's used as an additive for concrete and consumer products like tennis rackets.One company in China sells solar panels coated with graphene.So why hasn't a material with so much promise been adopted more widely?Because making two-dimensional graphene, typically through a process called vapor deposition, isn't fast, cheap, or sustainable.Production techniques that lead to extraordinary performance benefits are too labor-and money-intensive to be practical, even though costs have fallen since graphene's 2004 discovery.Another way to make graphene, using lasers, is now garnering attention and gaining traction.The discovery of this easy-to-make graphene ignited efforts around the world to figure out the best ways to produce and use the new stuff, with much of that effort focused on using renewable, natural materials.Laser-induced graphene isn't perfect.Compared to deposition-made graphene, it "typically has a lower quality and purity," explains Yingying Zhang, a materials scientist at Tsinghua University in Beijing, China, whose lab develops materials for flexible and wearable electronics.In addition, she says, "the laser conversion This scanning electron microscope image shows a composite of laser-induced graphene (LIG) and polystyrene.LIG has shown promise as a cheaper, easier way to make the widely touted material. Graphene ; Electronics ; Laser ; Nanotechnology ; Materials science ; Engineering physics ; Optoelectronics ; Engineering ; Physics ; Optics ; Electrical engineering Graphene research and applications ; Laser-Ablation Synthesis of Nanoparticles ; Nanowire Synthesis and Applications
Authors: Barbara Bogdańska | Dmytro Khylyuk | Dariusz Matosiuk
Source: Preprints.org (preprint, 2025-09-09)
Field: Chemistry — Organic Chemistry

Hydroxyketone Tyrosinase Inhibitors: Mechanism of Action, Applications and Perspectives in Melanoma Therapy Tyrosinase is a key enzyme in melanogenesis, playing an important role in skin, hair, and eye pigmentation, as well as in the enzymatic browning of fruits and vegetables. Excessive tyrosinase activity leads to hyperpigmentation and other dermatological problems, and also causes losses in the food industry. For this reason, tyrosinase inhibitors have become the subject of intensive research in medicine, cosmetology, and food technology. Among the various inhibitors, compounds containing ketone and hydroxyl groups draw special attention, because they have the ability to chelate copper ions in the active center of enzyme or block an access to it.. This article discusses the possible mechanisms of action, based on molecular modeling of interaction of pdb database retrieved model of enzyme with known natural inhibitors – kojic acid and tropolone as well as newly synthesized and tested 6-hydroxyimino derivatives of imidazo[1,2-a]imidazole-5-ones. Results suggest that model of enzyme-ligand interaction can be useful in establishing affinity to tyrosinase of new natural and synthetic inhibitors. They can have broad applications in various fields, including melanoma therapy, and prospects for further development. Tyrosinase ; Kojic acid ; Enzyme ; Melanoma ; Browning ; Hyperpigmentation ; Mechanism (biology) ; Melanin Synthesis and biological activity ; Melanoma and MAPK Pathways ; melanin and skin pigmentation
Authors: Kento Nishigomi | Yu Hyeon Yi | Souren Adhikary | Kazuhito Tsukagoshi | Katsunori Wakabayashi
Source: Nanoscale Advances (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Strain effects on the electronic properties of cobalt-based coordination nanosheets We theoretically study strain effects on the electronic properties of cobalt-based benzenehexathiol (CoBHT) coordination nanosheets using first-principles calculations. Two distinct crystal structures, high-density structure (HDS) and low-density structure (LDS), are explored. Our results reveal that HDS behaves as a metal, while LDS exhibits semiconducting properties. Spin-polarized electronic band structures highlight the presence of energy band structures of the Kagome lattice, and the inclusion of spin-orbit coupling (SOC) results in band gap openings at high-symmetric <i>K</i> points. Furthermore, we construct a tight-binding model to investigate the topological properties of CoBHT, demonstrating anomalous Hall conductivity driven by the intrinsic Berry curvature. The impact of uniaxial strain on the electronic and magnetic properties of CoBHT is also studied. Strain induces significant modifications in magnetic moments and density of states, particularly in the HDS. Anomalous Hall conductivity is enhanced under hole-doping conditions, suggesting that strain can be used to tailor the electronic properties of CoBHT for specific applications. Our findings underscore the potential of CoBHT nanosheets for use in next-generation electronic, optoelectronic, and catalytic devices with tunable properties through strain engineering. Cobalt ; Strain (injury) ; Materials science ; Chemistry ; Metallurgy ; Biology Metal-Organic Frameworks: Synthesis and Applications ; Transition Metal Oxide Nanomaterials ; Copper Interconnects and Reliability
Source: Biointerface Research in Applied Chemistry (review, 2025-08-15)
Field: Materials Science — Biomaterials

Materials, Properties, and Future Trends of Electrospinning Nanofiber in Smart Food Packaging Development: a Review The development of smart food packaging is a rapidly evolving field aimed at enhancing food safety, quality, and shelf life. Among various techniques, nanofiber electrospinning is a versatile and efficient method for synthesizing nanofibers with unique properties suitable for this application. This review aims to provide valuable insights and foster further research in the innovative use of nanofiber electrospinning for smart food packaging solutions. This review paper provides a comprehensive overview of the current advancements in using electrospinning for nanofiber synthesis in smart food packaging. It delves into the advantages of electrospinning, including its ability to produce fibers with high surface area-to-volume ratios and tunable properties. The paper discusses synthetic and natural materials used in the electrospinning process and the incorporation of active compounds to impart functional characteristics to the packaging. A distinctive feature of this review is the in-depth analysis of recent improvements in nanofiber technology to enhance its mechanical properties. This area has received limited attention in previous reviews. Finally, it highlights the future trends and potential developments of electrospinning nanofibers in smart food packaging. Electrospinning ; Nanofiber ; Food packaging ; Process (computing) ; Active packaging Electrospun Nanofibers in Biomedical Applications ; Conducting polymers and applications
Authors: Kai Xu | Pei Liu | Yinxu Ni | Qingqing Gao | Jin Chen | Shuai Yin | Zixuan Ding | Guoxiong Tang | Changtian Zhu | Fenghua Liu
Source: Journal of Materials Chemistry C (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multifunctional PANI–TiO <sub>2</sub> –Fe <sub>3</sub> O <sub>4</sub> @attapulgite 3D composites for synergistic microwave absorption and corrosion protection Electromagnetic (EM) pollution has emerged as a pressing concern, driving the demand for high-performance microwave absorbing materials. Materials science ; Composite number ; Corrosion ; Microwave ; Absorption (acoustics) ; Composite material ; Chemical engineering Electromagnetic wave absorption materials ; Microwave-Assisted Synthesis and Applications ; Material Properties and Applications
Authors: Duari, Prakash (M. Sc.) | Linke, Alexander (Dr. rer. nat.) | Shishkova, Margarita | Le Dé, Quentin (Dr. rer. nat.) | Das, Arpan (Dr. rer. nat.) | Däschlein-Gessner, Viktoria H. (Prof. Dr. rer. nat.)
Source: Dokumentenrepositorium der RUB (Ruhr University Bochum) (article, 2025-10-07)
Field: Chemistry — Organic Chemistry

Isolation of anionic \(\it N\)-heterocyclic olefins and their versatile reactivity \(\it N\)-heterocyclic olefins (NHOs) have emerged as powerful bases and nucleophiles with broad applications in synthesis and catalysis. Here, we report a new synthetic approach to accessing their anionic derivatives through a formal ligand exchange reaction of metalated ylides or diazomethanes with free carbenes. The reaction was found to depend on the nature of the carbene, with more electrophilic carbenes reacting more readily via N\(_2\) and PPh\(_3\) extrusion, respectively. Spectroscopic and crystallographic analyses, combined with computational studies revealed that the anionic NHOs exhibit bent structures. In these structures, the anionic charge at the central carbon atom is partly delocalized into the carbene and the second substituent (Z). These stabilizing effects confer versatile reactivity at the central carbon atom, the nitrogen atom of the \(\it N\)-heterocylic carbene or at the Z substituent. While the predominant reactivity occurs at the central carbon atom - enabling the convenient synthesis of functionalized NHOs - anionic NHOs also undergo a thermally induced rearrangement to \(\it N\)-heterocyclic imines via a skeletal rearrangement involving ring-opneing of the \(\it N\)-heterocylic carbene. Reactivity (psychology) ; Carbene ; Electrophile ; Nucleophile ; Substituent ; Ligand (biochemistry) N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Cyclopropane Reaction Mechanisms ; Organometallic Complex Synthesis and Catalysis
Authors: Woohyun Cho | Jaehun Cha | Y. Kang | Dong Hyun David Lee | Jaehwan Oh | Do‐Hyun Kim | Sangsu Yer | Jae-In Lee | Heemyoung Hong | Yongsoo Yang | Yeong Kwan Kim | Myung Joon Han | Heejun Yang
Source: ArXiv.org (preprint, 2025-05-08)
Field: Materials Science — Materials Chemistry

Polymorphic spin ordering in a single-crystalline cobalt-doped Fe3GaTe2 A single crystalline system typically stabilizes a unique state for spin ordering below a critical temperature. Certain materials exhibit multiple magnetic states, driven by structural phase transitions under varying thermodynamic conditions. Recently, van der Waals magnets have demonstrated subtle interlayer exchange interactions, offering a promising approach to electrically control spin states without structural transformation. Here, we report the emergence of three distinct magnetic states, ferromagnetic ordering and both collinear and non-collinear antiferromagnetic orderings, in a layered single crystalline magnet, cobalt-doped Fe3GaTe2 ((Co, Fe)3GaTe2). These three magnetic phases occur without structural phase transitions, a phenomenon we designate as polymorphic spin ordering in the material. The introduction of 16% Co-doping in Fe3GaTe2 modulates the interlayer magnetic interaction, enabling multiple spin orderings within the same lattice system with three critical temperatures: a Curie temperature for a ferromagnetic state (Tc=210 K) and two Neel temperatures for the collinear (TN1=110 K) and non-collinear (TN2=30 K) antiferromagnetic states. Our findings are supported by magnetic force microscopy, first-principles calculations, and circular dichroism angular photoemission spectroscopy, which reveals varying spin ordering and changes in the topological band structure and Berry curvature at different temperatures within the single-crystalline (Co, Fe)3GaTe2. Antiferromagnetism ; Ferromagnetism ; van der Waals force ; Spin (aerodynamics) ; Curie temperature ; Ising model ; Magnetic structure ; Phase transition ; Curie 2D Materials and Applications ; Iron-based superconductors research ; Topological Materials and Phenomena
Authors: Poh Ying Fong | Sehrish Khan | Hatem M. Titi | Manal Ammar | Fiorenzo Vetrone | Mazen Al‐Ghoul | Louis A. Cuccia
Source: CrystEngComm (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Chiral resolution of copper aspartate under reaction–diffusion: synergy of experiment and simulation Chiral resolution is essential in the pharmaceutical and food industries and in materials science, due to the unique properties of enantiomers. Copper ; Resolution (logic) ; Diffusion ; Chemistry ; Materials science ; Crystallography ; Combinatorial chemistry ; Computer science ; Physics ; Thermodynamics ; Organic chemistry ; Artificial intelligence Crystallization and Solubility Studies ; Analytical Chemistry and Chromatography ; Field-Flow Fractionation Techniques
Authors: Benjamin List | Nils Frank
Source: Synfacts (article, 2025-10-30)
Field: Chemistry — Organic Chemistry

Enantioselective Access to Alkylidenecyclopropanes via Base-Catalyzed 1,3-Hydrogen Shift Enantioselective synthesis ; Cyclopropanation ; Catalysis ; Optically active Cyclopropane Reaction Mechanisms ; Catalytic Alkyne Reactions ; Asymmetric Hydrogenation and Catalysis
Authors: Jan Rzepiela | Michał Liberka | Junhao Wang | Hiroko Tokoro | Shin‐ichi Ohkoshi | Sebastian Baś | Fumitaka Kagawa | Szymon Chorąży
Source: ChemRxiv (preprint, 2025-06-10)
Field: Materials Science — Polymers and Plastics

Room-temperature molecular luminescent ferroelectrics based on chiral molecular hybrids incorporating polycyanidometallate ions Chiral luminescent and ferroelectric molecular materials offer exciting opportunities for multifunctional device applications, yet examples combining strong optical activity, nonlinear response, and switchable polarization remain scarce. Here, we report a new series of crystalline materials based on enantiopure (S,S)- and (R,R)-N-methyl-2-phenyl-4,5-pinenopyridinium cations and di- or tetracyanidometallates of Ag(I), Au(I), Pd(II), and Pt(II). All compounds crystallize in the noncentrosymmetric polar P2₁ space group, and exhibit strong second-harmonic generation (SHG) signals, with the Au(I)-analogue reaching 22.9% of KDP. Circular dichroism confirmed the retention of chirality in the solid state, while solid-state photoluminescence revealed tailorable optical properties with high quantum yields, up to 19% for Pt(II) derivatives. Moreover, piezoresponse force microscopy (PFM) demonstrated stable ferroelectric domains and field-switchable polarization in Ag(I)- and Pd(II)-based materials. These results establish a modular platform for designing multifunctional, chiral molecular materials with luminescent, nonlinear optical, and ferroelectric properties. Luminescence ; Ion ; Hybrid ; Materials science ; Chemical physics ; Nanotechnology ; Optoelectronics ; Chemistry ; Organic chemistry ; Botany ; Biology Synthesis and properties of polymers ; Polyoxometalates: Synthesis and Applications ; Analytical Chemistry and Sensors
Authors: Tomoya Kojima | Kouichi Asakura | Taisuke Banno
Source: Polymer Chemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Creation of polymersomes with changes in the membrane structure <i>via</i> disulfide crosslinking under reductive conditions for controlled gradual cargo release The addition of glutathione facilitated successive disulfide exchange reactions in the polymersome, resulting in the crosslinking of the membrane. This decreased the membrane permeability, enabling the controlled gradual release of the loaded cargo. Polymersome ; Disulfide bond ; Membrane ; Chemistry ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Copolymer ; Polymer ; Biochemistry ; Engineering ; Amphiphile Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Polymer Surface Interaction Studies
Authors: Douglas Turnbull | Renè T. Boeré
Source: European Journal of Inorganic Chemistry (article, 2025-10-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Diiron Complexes of 3 <i>H</i> ‐1,2,3,5‐Dithiadiazolines and the Fate of the Parent Dithiadiazolyl: A Crystallographic and Computational Study Low‐temperature crystal structures of iron carbonyl complexes of diamagnetic 4‐aryl‐3 H ‐1,2,3,5‐dithiadiazolines, [Fe 2 {S 2 N(NH)CAr}(CO) 6 ] (Ar = 4‐C 6 H 4 CF 3 ( 2 ), and 4‐C 6 H 4 OMe ( 3 )) are reported, alongside a new low‐temperature structure of [Fe 2 {S 2 N(NH)CPh}(CO) 6 ] ( 1 ), in which the presence of an NH bond is established unambiguously. Diverse NH···N hydrogen bonding networks in 1 , 2 , and several variants of 3 ( 3a – c ) are observed, with intermolecular distances refined to neutron‐diffraction accuracy using Hirshfeld atom refinement with nonspherical atomic scattering factors, using a state‐of‐the‐art method. To rationalize the formation of 1 – 3 from Fe 3 (CO) 12 and 1,2,3,5‐dithiadiazolyl radicals, i.e., the conspicuous absence of paramagnetic [Fe 2 (S 2 N 2 CAr)(CO) 6 ] ( 1 ′– 3 ′), the thermochemistry of the reactions, and properties of viable intermediates are profiled using density functional theory (DFT) methods. From these calculations, a clear electronic basis for the instability of 1 ′– 3 ′ is revealed: unlike S 2 N 2 CAr • , which are stable π radicals, their iron complexes are reactive σ radicals that abstract a hydrogen atom from dry toluene to form the observed diamagnetic complexes. Furthermore, the putative paramagnetic complexes are uniquely susceptible to hydrogen atom transfer and are thus probable intermediates in the syntheses of 1 – 3 . Diamagnetism ; Paramagnetism ; Intermolecular force ; Density functional theory ; Atom (system on chip) ; Hydrogen bond ; Radical ; Crystal structure Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Organic and Molecular Conductors Research
Authors: T. Srinivas | N. S. Reddy | Challa Madhavi | M. Kiranmai Reddy
Source: Chirality (article, 2025-05-01)
Field: Chemistry — Spectroscopy

Quantification of Oseltamivir Phosphate Enantiomeric Impurity by Chiral HPLC Method With the Aid of Solvent Extraction and Phosphate Salt‐Out Method A robust chiral high-performance liquid chromatography (HPLC) method was established to separate and quantify the enantiomeric impurity (3S, 4S, 5R) in oseltamivir phosphate. A new sample preparation approach was used, involving the solvent extraction method to remove phosphate salt from the drug, thereby preventing the column's clogging and confirming method repeatability. Thin-layer chromatography (TLC) was employed to identify oseltamivir in the organic layer, while <sup>31</sup>P nuclear magnetic resonance (NMR) spectroscopy and the molybdenum blue method were used to confirm the presence of phosphate in the aqueous layer. An ion-pair reversed-phase HPLC method with indirect UV detection was utilized to quantify the phosphate in both the organic and aqueous phases. Chromatographic separation of enantiomeric impurity (3S, 4S, 5R) from oseltamivir phosphate drug substances (3R, 4R, 5S) was accomplished using a Chiralpak IC-3 column with a mobile phase consisting of n-hexane, methanol, isopropyl alcohol, and diethyl amine (85:10:5:0.2, v/v/v/v) at a flow rate of 0.6 mL/min and a detection wavelength of 225 nm. The selectivity of method is clearly proved by separating the impurity from oseltamivir phosphate drug substance, with a resolution of more than 3.0. The method displayed exceptional linearity over a range of 0.035-0.300%w/w, with limits of detection of 0.005%w/w and quantification of 0.035%w/w. Consistent recovery rates were obtained between 91% and 94%, and the analytical solution remains stable for up to 72 h at 2°C-8°C. Chemistry ; Chromatography ; High-performance liquid chromatography ; Enantiomer ; Solvent ; Aqueous solution ; Extraction (chemistry) ; Phosphate ; Impurity ; Organic chemistry Analytical Chemistry and Chromatography ; Influenza Virus Research Studies ; Antibiotics Pharmacokinetics and Efficacy
Authors: Elza D. Sultanova | Alina А. Аrtemenko | Ekaterina А. Bondareva | Ilshat М. Bogdanov | Aliya Akhatova | D. Iu. Mironova | Vladimir А. Burilov | S. Е. Solovieva | И. С. Антипин
Source: Macroheterocycles (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Novel Imidazolium Derivatives of Thiacalix[4]arenes Containing Fluorescein Fragments: Synthesis, Aggregation Properties and Photocatalytic Activity Photocatalysis ; Fluorescein ; Fluorescence ; Singlet oxygen ; Photosensitizer Supramolecular Chemistry and Complexes ; Molecular Sensors and Ion Detection ; Sulfur-Based Synthesis Techniques
Authors: Xiaofei Qian | Tao Liu
Source: Materials Advances (article, 2025-11-28)
Field: Materials Science — Polymers and Plastics

Sulfur-rich polymer with nanoparticles: high refractive index dual-tone photoresist Synthesis and lithographic application of high refractive index sulfur-containing polymer. Refractive index ; High-refractive-index polymer ; Photoresist ; Polymer ; Lithography ; Photolithography Synthesis and properties of polymers ; Organic Electronics and Photovoltaics ; Photopolymerization techniques and applications
Authors: Gaurav Verma
Source: Journal of Information Systems Engineering & Management (article, 2025-04-18)
Field: Chemistry — Organic Chemistry

To Investigate the Hydrophobic Effect on Glass Slide using Aluminum Oxide as a Nonmaterial Coating with Ethanol, Polyvinyl Alcohol and Acetone as a Solvent using Dip Coating and Spray Coating Techniques This study investigates the Al2O3 coatings' hydrophobic properties on glass slides utilizing a dip coating process and solvents containing acetone, polyvinyl alcohol (PVA), and ethanol in various compositions. The experimental design uses dip coating techniques to systematically apply Al2O3 coatings on glass slides. Coating on glass slide is done by mixing Al2O3 with a solution of firstly ethanol in different composition 5%, 10% and 15%. Secondly Al2O3 is mixed with ethanol along with polyvinyl alcohol in different composition 5%, 10% and 15%. Thirdly Al2O3 is mixed with ethanol, polyvinyl alcohol and acetone in different composition 5%, 10% and 15%. The hydrophobic property of based material Al2O3 enhanced and these enhancements is compared with different characterization of contact angle test, FTIR test and XRD analysis. Coating solution is prepared after weighing by analytical balance machine and mixing is done with help of magnetic stirrer and batch sonicator. Finally, sample is dried for 24 hrs and then heat treatment is done in Hot Air Oven between 250 -300-degree centigrade temperatures. Coating ; Acetone ; Polyvinyl alcohol ; Solvent ; Aluminum oxide ; Ethanol ; Materials science ; Film coating ; Chemical engineering ; Chemistry ; Aluminium ; Composite material ; Organic chemistry Photopolymerization techniques and applications
Authors: Wenhui Wang | Mingyun Zhu | Ivan Erofeev | Guoming Lin | Kuibo Yin | Litao Sun | Utkur Mirsaidov
Source: Small Methods (article, 2025-10-22)
Field: Materials Science — Materials Chemistry

Size‐Focusing of Au Nanoparticles through Dissolution–Renucleation Process Imaged with In Situ TEM The transformation of large polydisperse nanoparticles (NPs) into small monodisperse ones by adding ligands is an important and powerful post-synthesis method for tuning the size and morphology of NPs. However, the mechanism of this widely used process is not well understood. Here, using in situ liquid-phase transmission electron microscopy (TEM), we show that the steps of this transformation are a complete dissolution of the original NPs and a subsequent renucleation and growth of new, smaller, uniformly-sized NPs. This work offers mechanistic insights into the synthesis of monodisperse NPs and highlights the importance of direct imaging in identifying the physical and chemical details of nanoscale processes that occur in a liquid phase. Dispersity ; Nanoparticle ; Transmission electron microscopy ; In situ ; Nanoscopic scale ; Dissolution ; Process (computing) ; Morphology (biology) Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Quantum Dots Synthesis And Properties