jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yukiteru Murakami | Katharina Krischer
Source: iScience (article, 2026-02-10)
Field: Materials Science — Materials Chemistry

Time delay as the origin of oscillations in anodic Si electrodissolution Silicon is a key semiconductor electrode and is known for exhibiting oscillations during anodic oxidation in fluoride-containing solutions. This article introduces a mathematical model that captures these oscillations. It describes the formation and dissolution of an oxide layer, determining the oxide composition and the electrostatic potential perpendicular to the electrode. Oscillations occur if the following three conditions are met: the etching speed increases with defects in the oxide layer, the defect density decreases with increasing electric field at the Si-oxide interface, and a sufficient time delay exists between production and etching of the oxide. Numerical simulations reproduce experimental results well. Based on these results, we derive a simplified time-delay model. Using linear stability analysis, we confirm the essential role of the time delay for the oscillations. The basic mechanisms are universal and in line with the point defect model for growth and dissolution of passive films on metal electrodes. Anode ; Silicon ; Anodic oxidation ; Analytical Chemistry (journal) ; Germanium compounds Silicon Nanostructures and Photoluminescence ; Silicon and Solar Cell Technologies ; Microbial Inactivation Methods
Authors: Guojun Zhou | Pei Wang | Qiqiong Ren | Nan Zhang | Jin Lv | Yilin Mao | Jianwei Qiao | Xudong Zhang
Source: Light Science & Applications (article, 2026-01-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Spin-canted Mn–Mn coupling in symmetry-broken metal chloride dimer with dual-responsive luminescence and sensing Magneto-optical coupling provides a powerful alternative to crystal field engineering for modulating Mn<sup>2+</sup> luminescence. However, precise control over Mn-Mn coupling is hindered by the complex spin-electron super-exchange interactions. Herein, we report a symmetry-broken Mn(II) chloride dimer, (C<sub>10</sub>H<sub>20</sub>O<sub>5</sub>Mn)(CH<sub>3</sub>CN)MnCl<sub>4</sub>, synthesized through a crown-ether-assisted supramolecular strategy. The dimer features a 7-coordinated pentagonal bipyramid and a 4-coordinated tetrahedron linked by a distorted Mn-Cl-Mn bridge (129°), which promotes rare spin-canted Mn-Mn coupling and creates a novel Mn-Mn luminescent center. This center exhibits a red emission at 638 nm with an unusually short lifetime of 0.42 ms, which is attributed to the relaxation of spin-forbidden d-d transitions. Notably, the emission undergoes a 30 nm blue-shift upon heating (5-305 K) due to the thermal suppression of spin-canting, and a 40 nm blue-shift under applied pressure (0-20 MPa) resulting from reduced orbital overlap. This dual-responsive luminescence originates from spin-canted weak ferromagnetism, which induces a rearrangement of energy-levels by separating antibonding orbitals. Using this effect, we have demonstrated an optical manometer for real-time underwater depth sensing. These findings highlight spin-canted Mn(II) dimers as a promising platform for stimuli-responsive luminescence and reveal a new mechanism for d-d transition modulation. Luminescence ; Dimer ; Coupling (piping) ; Photoluminescence ; Crystal (programming language) ; Chloride ; Supramolecular chemistry ; Dopant Magnetism in coordination complexes ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence Properties of Advanced Materials
Authors: Zhixin Luo | Kaiqi Cheng | Haicheng Li | Hui Yang | Yecheng Ran | Zhou Yang | Wen Su | Linjie Xi | Wengang Jin | A. M. Abd El-Aty | Ruichang Gao
Source: Frontiers in Nutrition (article, 2026-01-16)
Field: Chemistry — Organic Chemistry

Quality characteristics and volatile profiles of giant salamander (Andrias davidianus) meat during the air frying process Air frying at 180 °C for 10-15 min resulted in more desirable quality and flavor characteristics, providing guidance for the development of ready-to-eat giant salamander meat products. Process (computing) ; Flavor ; Quality (philosophy) ; Air temperature ; Aroma Edible Oils Quality and Analysis ; Meat and Animal Product Quality ; Protein Hydrolysis and Bioactive Peptides
Authors: Qingsong ZHANG | Bing Zhao | Xiaoshao Kong | Hu ZHOU | Weiguo WU
Source: SHILAP Revista de lepidopterología (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Optimal design of the ballistic resistance for new titanium alloy composite armor based on SVR surrogate model and NSGA-II algorithm ObjectiveTo reduce the damage range of traditional spliced composite armor, a novel composite armor structure composed of titanium alloy faceplate, silicon carbide （SiC） ceramic, ultra-high-molecular-weight polyethylene（UHMWPE） laminate, and integrated titanium alloy lattice and back plate is proposed. And we employ optimal design of the structure to achieve the enhancement of the ballistic resistance and weight reduction. MethodComparative studies on the ballistic resistance of the novel composite armor is conducted by numerical methods. A high-accuracy surrogate model is established to rapidly predict the ballistic performance of the composite armor, and correlation analysis is performed between structural parameters and residual velocity and areal density. The structural parameters of the composite armor are optimized based on the NSGA-II multi-objective genetic optimization algorithm. ResultsThe results indicate that, compared with traditional spliced composite armor, the new composite armor reduces the residual velocity of the projectile by 11.7% and the damage range by 60.9% due to the presence of the integrated titanium alloy lattice and back plate. The damage range is confined to the inside of the grill, while the rest of the structure maintains better integrity. The anti-penetration performance of the areas with weak protection located at the splices is improved. After optimization, the residual velocity of the projectile is reduced by 21.0%, while the areal density decreases by 5.3%. The residual velocity of the projectile shows the strongest correlation with the thickness of the UHMWPE laminate and the weakest correlation with the thickness of the titanium alloy back plate. The optimized structural design scheme is as follows: the thickness of SiC ceramic is 4.25 mm, the thickness of UHMWPE laminate thickness is 10.65 mm, and the thickness of titanium alloy backplate thickness is 0.52 mm. After optimization, the residual velocity of the projectile is reduced by 21.0%, while the areal density reduced by 5.3%. Conclusion Compared with the traditional spliced composite armor, the novel composite armor structure demonstrates superior anti-penetration performance. The method for structural optimization design of composite armor based on the SVR surrogate model and NSGA-II algorithm is effective and feasible. Projectile ; Armour ; Composite number ; Ballistic impact ; Titanium alloy ; Residual ; Titanium ; Alloy High-Velocity Impact and Material Behavior ; Mechanical Behavior of Composites ; Cellular and Composite Structures
Authors: Mary Pool | Edward Savage | Rachel Holland | Ciaran W. Lahive | Michael P. Shaver
Source: ChemSusChem (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Chemical Recycling of Polycarbonate Acrylonitrile Butadiene Styrene Blends via Organocatalyzed Acetolysis Polycarbonate acrylonitrile butadiene styrene (PC/ABS) is one of the most widely used plastic blends, with growing importance in both automotive and electronics applications. However, its heterogeneous nature disables recycling, leading to its disposal via landfilling or incineration. This work proposes a way to recycle this material via selective chemical recycling whereby the PC is depolymerized by acetolysis, heating the blend with acetic acid and a basic organocatalyst, leaving the ABS untouched. Catalytic optimization on PC feedstocks revealed that successful organocatalysts required not only sufficient basicity but also a basic nitrogen incorporated within an aromatic ring. A kinetic study revealed the depolymerization was pseudo first-order with an activation energy of 96.7 kJ mol<sup>-1</sup>. Selective acetolysis was developed for both PC/ABS pellets and a PC/ABS automotive part. Separation of the PC monomers from the ABS was achieved with dialysis, with isolated ABS having similar properties to virgin grades. This approach offers a promising route toward recovering value from recalcitrant PC/ABS blends by enabling selective deconstruction of PC and recovery of ABS, thereby minimizing dependence on virgin plastic production. Depolymerization ; Polycarbonate ; Acrylonitrile butadiene styrene ; Catalysis ; Monomer ; Acrylonitrile ; Styrene ; Acetic acid Polymer crystallization and properties ; Fiber-reinforced polymer composites ; Polymer Science and PVC
Authors: Farzin Najafi | Arezoo Maleki-Hajiagha | Nasim Kaveh Farsani | Majed Tavakkol | Akansha Sharma | Seyedeh Elaheh Sheykholeslami | Faranak Farahmand | Zahra Kazemi | Asal Katebi | Ahmad Reza Farmani | Tamim Chalati
Source: Journal of Materials Science Materials in Medicine (article, 2026-02-09)
Field: Materials Science — Biomaterials

Magnetic nanoparticles as promising materials for the future of medicine Over the past few decades, magnetic nanoparticles (MNPs) have emerged as a focal point of research due to their versatility and diverse applications across biomedical and technological domains. The rapid advancement in nanotechnology has enabled MNPs to be utilized in drug delivery, magnetic resonance imaging (MRI), and cancer therapy. In biomedical applications, MNPs are valued for their small size, biocompatibility, and responsiveness to external magnetic fields, facilitating targeted drug delivery, cell tracking, and magnetic hyperthermia. MNPs can be functionalized with therapeutic agents for precision-targeted delivery and magneto-mechanical activation at the cellular level. This review explores the synthesis and characterization of MNPs, focusing on their therapeutic potential in cancer treatment. Iron oxide nanoparticles have been studied for their ability to target tumors through passive and active mechanisms, allowing controlled drug release within the tumor microenvironment. Coating MNPs with biocompatible materials enhances their stability and drug loading capacity while reducing toxicity. MNPs are also integrated with other nanotechnologies to create multifunctional theranostic platforms combining treatment and imaging capabilities. Despite promising preclinical results, clinical translation requires further optimization to address challenges like targeting efficiency and regulatory approval. Continued research and interdisciplinary collaboration are essential to fully realize the potential of MNPs in advancing precision medicine and improving patient outcomes. Magnetic nanoparticles ; Drug delivery ; Biocompatible material ; Nanomedicine ; Nanoparticle ; Targeted drug delivery ; Magnetic resonance imaging ; Cancer therapy Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Nanoparticles: synthesis and applications
Authors: Mary E. Dickenson | Robert S. Oakes | Aaron H. Morris
Source: npj Biomedical Innovations. (article, 2026-01-16)
Field: Materials Science — Surfaces, Coatings and Films

Don’t judge an implant by its cover: how the foreign body response and fibrotic capsule might be harnessed for good Biomaterials are widely used, yet when implanted, they elicit a complex reaction from the host called the foreign body response (FBR). Although the FBR is typically viewed as a deleterious response to implants, many potential benefits of the FBR have recently been identified. This review highlights the variety of ways that the FBR has been harnessed for positive outcomes, including tissue engineering and disease monitoring. Foreign body ; Host response ; Implant ; Capsule ; Inflammatory response ; Foreign Bodies Polymer Surface Interaction Studies ; Dental Implant Techniques and Outcomes ; Tissue Engineering and Regenerative Medicine
Authors: Amir Hossein Farahani | Reza Zarei Moghadam | Maziar Marandi
Source: Discover Nano (article, 2026-02-02)
Field: Materials Science — Biomaterials

Electrospinning of nanofibers and the functional potential of starch: a comprehensive review Electrospinning has emerged as a powerful nanofabrication technique for producing continuous polymer nanofibers with diameters ranging from sub-micrometers to nanometers. This technique is important in several discipline areas which are able to make high-surface-area materials with tunable properties that will allow applications for biomedicine, filtration, and tissue engineering. This review explores both needle-based and needleless electrospinning methods, including their sub-techniques, advantages, limitations, and influencing process parameters. Particular attention is given to how electric field strength, solution properties, and environmental factors affect nanofiber morphology and performance. In parallel, the review delves into the physicochemical characteristics and structural dynamics of starch, a biodegradable and renewable polysaccharide with vast potential in nanotechnology and food science. The phenomena of starch gelatinization and retrogradation are examined with respect to their functional implications in fiber formation and food applications. By integrating insights from electrospinning and starch science, this study highlights the prospects for developing starch-based nanofibers, offering sustainable solutions for biomedical, packaging, and dietary applications. This paper, in contrast to the most recent reviews describing electrospinning principles or the properties of starch independently, does provide a meaningful comparison of needle-based versus needleless techniques, and evaluate the effects of starch's physicochemical transitions on nanofiber performance. This comparative analysis can identify existing gaps, and show where starch-based systems were stronger than synthetic polymers with regards to sustainability, but weaker in mechanical strength and scalability. The paper concludes with future research directions that bridge nanotechnology and biopolymer engineering. Electrospinning ; Nanofiber ; Biopolymer ; Polymer ; Starch ; Process (computing) Electrospun Nanofibers in Biomedical Applications ; Food composition and properties ; Nanocomposite Films for Food Packaging
Authors: Khiet An Vuong | Nguyen Hai Dang | Le Phuong Truong | Minh Thuan Pham | D. M. Hoat | Minh Triet Dang | Guo-Ping Chang-Chien | Duy Khanh Nguyen
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Enhanced sensing characteristics of N doped and (N, O) co-doped molybdenum disulfide to detect toxic gases: a comprehensive first-principles study First-principles calculations based on density functional theory were conducted to investigate the adsorption of CO, CO<sub>2</sub>, and NH<sub>3</sub> molecules on pristine, N doped, and (N, O) co-doped MoS<sub>2</sub> surfaces. Pristine MoS<sub>2</sub> systems exhibit weak physisorption with long adsorption distances, insignificant adsorption energies, and negligible charge transfer, resulting in poor gas selectivity and low electronic sensitivity toward all gases. N doping slightly enhances adsorption strength and charge exchange through defect-induced electronic modulation, improving the interaction with NH<sub>3</sub> but showing limited response to CO and CO<sub>2</sub>. In contrast, (N, O) co-doping substantially reinforces molecule-substrate interactions by reducing adsorption distances and increasing charge redistribution across the surface. The (N, O) co-doped MoS<sub>2</sub> system exhibits pronounced work-function shifts of -1.07, -0.99, and -0.54 eV for CO, CO<sub>2</sub>, and NH<sub>3</sub>, respectively, together with strong energy-resolved conductivity variations, with average conductivity changes of about 30-40% for CO, 35-50% (peaks ≈70%) for CO<sub>2</sub>, and 45-60% with maximum peaks exceeding 120% for NH<sub>3</sub>. Compared with previous studies focusing on either N- or O-doped MoS<sub>2</sub>, our work provides a systematic, side-by-side comparison of pristine, N-doped, and (N, O) co-doped systems and identifies (N, O) co-doping as a more effective route to simultaneously enhance sensitivity and selectivity toward CO and CO<sub>2</sub>. Physisorption ; Adsorption ; Selectivity ; Density functional theory ; Doping ; Conductivity ; Molecule ; Redistribution (election) ; Charge density 2D Materials and Applications ; Gas Sensing Nanomaterials and Sensors ; Advanced Thermoelectric Materials and Devices
Authors: Alireza Banan
Source: Results in Chemistry (article, 2026-01-13)
Field: Materials Science — Materials Chemistry

Covalent post-synthetic modification of metal-organic frameworks: A strategy for designing heterogeneous catalysts Covalent post-synthetic modification (PSM) represents a robust and irreversible strategy for precisely engineering the chemical functionality of metal–organic frameworks (MOFs) without compromising their structural integrity or porosity. This review surveys recent developments in covalent PSM approaches that enhance catalytic performance by introducing diverse functional groups—such as amines, carboxylic acids, sulfonic acids, phosphonic acids, imines, and guanidines—onto MOF organic linkers. These modifications enable fine-tuning of active site distribution, electronic environments, and acid–base properties, thereby facilitating cooperative and multifunctional catalysis. Through detailed analysis of structure–activity relationships and representative catalytic systems, covalent PSM is established as a powerful strategy for designing efficient, selective, and recyclable MOF-based heterogeneous catalysts applicable to a broad range of organic transformations. Covalent bond ; Catalysis ; Chemical modification ; Covalent organic framework Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Asymmetric Hydrogenation and Catalysis
Authors: Guang Sun | Chenchen Shen | Wen-Ting Wu | Zhi-Yuan Zhang | Rui Tan | Chun-Yun Deng | Kun Liu | Ming Dong | Jonathan L. Sessler | Chunju Li
Source: Journal of the American Chemical Society (article, 2026-02-18)
Field: Chemistry — Organic Chemistry

Achiral Guest-Modulated Circularly Polarized Luminescence of Chiral Macrocycles by Host–Guest Encapsulation Developing concise strategies to modulate circularly polarized luminescence (CPL) remains a significant challenge. In this study, we present a host-guest complexation approach to fine-tune the CPL properties of chiral macrocycles. The luminescence of the chiral macrocyclic hosts <i>R</i>/<i>S</i>-BINOL[2] can be modulated from blue to cyan, green, red, and purple via complexation with achiral guests, enabling guest-based regulation of their luminescence features. Single crystal X-ray diffraction analyses of the host-guest complexes coupled with theoretical calculations provide support for the inference that encapsulation of electron-deficient guests by the electron-rich <i>R</i>/<i>S</i>-BINOL[2] hosts induces through-space charge transfer that is mediated by multiple noncovalent interactions, particularly lone-pair-π interactions. The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps of the host-guest complexes can be tuned by varying the electronic nature of the guests, which translates to differences in the observed emission. This work provides a novel approach to the construction and modulation of CPL-active materials. Luminescence ; Molecular orbital ; Non-covalent interactions ; Encapsulation (networking) ; Energy transfer ; Crystal structure Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes
Authors: Xuteng Lang | Xin Meng | Xiaohan Zheng | Jian Tang | Ensheng Zhang | Yuanchun He | Xiaoxiang Zhang | Ziping Cao | X. Zheng | J. Tang | E. Zhang | Yuan‐Chun He | Z. Cao | Z. Zhang
Source: Dyes and Pigments (article, 2026-01-14)
Field: Chemistry — Organic Chemistry

Tuning charge transfer pathways through chiral binaphthyl structural engineering: Molecular design and versatile applications Luminescence ; Excited state ; Charge (physics) ; Electron transfer ; Molecular engineering ; Rational design ; Photoluminescence Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Sayed Zahid Nasim | Mengzhao Zhang | Suntao Shi | Ruipeng Shen | Songhe Ni | Lijie Mi | Meirong Yi | Baoxin Zhang | JianGuo Fang
Source: Analytical Chemistry (article, 2026-01-09)
Field: Chemistry — Spectroscopy

Tuning Lipophilicity to Develop an MMP-Independent Fluorescent Probe for Visualizing Mitochondrial Peroxynitrite in Drug-Induced Liver Injury Mitochondrial peroxynitrite (ONOO<sup>-</sup>), a highly reactive nitrogen species, is critically involved in oxidative-stress-induced cell damage, playing vital roles in the pathogenesis of numerous diseases. However, the real-time detection of ONOO<sup>-</sup> in mitochondria is still challenging due to the reliance of existing probes on mitochondrial membrane potential (MMP), often disrupted under disease conditions. Therefore, we attempted to develop and investigate an MMP-independent, near-infrared fluorescent probe (<b>Mito-ONOO<sup>-</sup></b>). To achieve this, a series of fluorophores <b>Flu-(1-5)</b> was rationally constructed by introducing alkyl chains of varying lengths (C2, C4, C8, C12, and C16) to fine-tune their lipophilicity and mitochondrial retention potential. <b>Flu-(1-5)</b> were initially screened for their lipophilicity and mitochondria-targeting capability under ONOO<sup>-</sup>-stimulated stress. <b>Flu-5</b> was finally selected for its optimal combination of notable lipophilicity and mitochondrial retention to construct the <b>Mito-ONOO<sup>-</sup></b>. Upon evaluation, <b>Mito-ONOO<sup>-</sup></b> displayed a reputable Stokes shift (88 nm), fast response (around 1 min), and excellent mitochondrial localization potential (PC = 0.96). In addition, the designed probe demonstrated excellent selectivity and sensitivity, enabling precise visualization of mitochondrial ONOO<sup>-</sup> in living HepG2 cells. Furthermore, the probe was successfully employed to monitor ONOO<sup>-</sup> dynamics during a drug-induced liver injury (DILI) mice model. Collectively, the findings of this study underscore the potential of <b>Mito-ONOO<sup>-</sup></b> as a powerful tool for exploring mitochondrial redox homeostasis and its perturbation under pathological conditions. Lipophilicity ; Peroxynitrite ; Mitochondrion ; Fluorescence ; Membrane potential ; Liver injury ; Inner mitochondrial membrane ; Mitochondrial membrane transport protein Molecular Sensors and Ion Detection ; Sulfur Compounds in Biology ; Metal-Organic Frameworks: Synthesis and Applications
Authors: R. Hema Chandrika | S. Stella Mary | A.R. Pavithraa | K. Jothivenkatachalam | Mahalakshmi Ramar
Source: Inorganic Chemistry Communications (article, 2026-01-03)
Field: Materials Science — Materials Chemistry

Effect of Cu and Fe Co-doped ZnS nanoparticles for the efficient antibacterial and photocatalytic applications Coprecipitation ; Band gap ; Photoluminescence ; Nanoparticle ; Photocatalysis ; Wurtzite crystal structure ; Doping ; Raman spectroscopy ; Zinc sulfide Quantum Dots Synthesis And Properties ; Carbon and Quantum Dots Applications ; Polymer Nanocomposite Synthesis and Irradiation