jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kazi Naziba Tahsin | Amin Rizkalla | Paul A. Charpentier
Source: Materials (article, 2026-01-19)
Field: Chemistry — Organic Chemistry

Antimicrobial Materials Used in Coating Dental Implant Surfaces: State of the Art and Future Prospectives This review provides a comprehensive overview of dental materials that promote tissue healing while exhibiting antimicrobial properties. The focus is on materials that are biocompatible, bioactive, and non-toxic to host cells, with demonstrated bacteriostatic and bactericidal activities. Current advances in natural bactericides, antimicrobial polymers, and bioactive glass/polymer composites are summarized, along with techniques employed for surface modification and the coating of dental implants. Three major categories of antimicrobial coatings were identified: antibacterial phytochemicals, synthetic antimicrobial agents (including polymers and antibiotics), and metallic nanoparticles. Bioactive coatings were further examined to identify potential antimicrobial strategies within these materials, and existing research gaps were highlighted. A systematic literature search was conducted in PubMed, Scopus, and Web of Science for articles published between January 2010 and June 2025. Overall, this review underscores the growing potential of multifunctional dental materials that integrate bioactivity with antimicrobial performance, offering promising directions for the development of next-generation restorative and implant materials. Antimicrobial ; Coating ; Dental implant ; Anti-Infective Agents ; Dental treatments ; Natural materials Antimicrobial agents and applications ; Graphene and Nanomaterials Applications ; Bone Tissue Engineering Materials
Authors: Cunjian Lin | Jumpei Ueda
Source: Advanced Optical Materials (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Review of Organic Persistent Phosphors: Classifications by Material Forms, Applications, and Mechanisms Abstract Persistent luminescence (PersL) is the phenomenon of light emission that continues long after the excitation source is removed. This property holds high potential across diverse applications, from emergency signage to bioimaging and sensing. The history of persistent luminescence materials have progressed from ancient inorganic materials to modern organic systems. The organic PersL developed later are gaining momentum with discoveries in long‐lifetime organic phosphorescence and the advent of thermally activated delayed fluorescence (TADF), crucial for efficient OLEDs. This review systematically covers the major material forms of organic PersL materials, detailing their operating principles and typical applications. The fundamental theoretical principles governing long‐lasting emission are discussed, including mechanisms such as spin‐forbidden transitions, charge‐separated states, trap‐induced PersL, and chemiluminescence in organics. Finally, five diverse stimulation methods—thermal, optical, mechanical, electrical, and magnetic—that activate trap‐induced PersL are also explored. This review would help the understanding of organic persistent materials and open the versatility of these fascinating materials. Phosphorescence ; Persistent luminescence ; Luminescence ; Aggregation-induced emission ; Chemiluminescence Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Luminescence Properties of Advanced Materials
Authors: Jogirdas Vainauskas | Tomislav Friščić
Source: Chemical Communications (article, 2026-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Cocrystallisation with carbon While carbon is ubiquitous across organic synthesis and materials chemistry, in supramolecular chemistry the role of carbon as a target for the formation of directional interactions, such as hydrogen or halogen bonds, is less known and developed in comparison to nitrogen or oxygen. Here we provide a brief review of the opportunities for the design of multi-component crystals (cocrystals) based on the recognition of carbon-based moieties, notably non-substituted polycyclic aromatic hydrocarbons (PAHs), functionalities bearing single carbon atom recognition sites such as isonitriles or carbenes, as well as the molecules of the element carbon itself, such as fullerenes, with particular emphasis on halogen bonding and C-H⋯π interactions. By providing highlights of historical examples, as well as select recent advances including applications oriented towards carbon nanomaterials, this review illustrates the role of carbon in cocrystallisation and solid-state supramolecular chemistry, from fundamental research and materials design, to biomolecular recognition and extraterrestrial geology. Supramolecular chemistry ; Carbon fibers ; Halogen ; Hydrogen ; Organic molecules ; Molecule ; Nitrogen Crystallography and molecular interactions ; Supramolecular Chemistry and Complexes ; Synthesis and Properties of Aromatic Compounds
Authors: Mei‐Yu Liu | Kai‐Xiang Zhang | Jia‐Bin Pan | Qi‐Lin Zhou | Li‐Jun Xiao
Source: Angewandte Chemie International Edition (article, 2026-01-22)
Field: Chemistry — Organic Chemistry

Nickel‐Catalyzed Enantioselective Reductive Heck Reaction of Olefins with Aryl Bromides and Chlorides Enabled by Chiral NHC Ligands Despite significant advances in catalytic asymmetric reductive Heck reaction, most reported methods rely on highly reactive aryl electrophiles and exhibit a limited olefin scope. Expanding this transformation to employ more abundant and cost-effective aryl bromides and chlorides with common olefins has remained a major challenge, owing to the inertness of C─Br and C─Cl bonds and the resulting difficulty in achieving chemo-, regio-, and stereocontrol. Here, we report that nickel catalysts combined with chiral dihydroimidazolium-derived N-heterocyclic carbene ligands bearing remote meta-substitution enable highly efficient and enantioselective reductive Heck reaction of a broad range of olefins-including styrenes, 1,3-dienes, and aliphatic alkenes-with aryl bromides and chlorides. Experimental studies and DFT calculations elucidated the origins of stereo induction and structure-reactivity relationships. This robust methodology provides streamlined access to structurally diverse, enantioenriched benzylic frameworks. Aryl ; Enantioselective synthesis ; Heck reaction ; Carbene ; Catalysis ; Reductive elimination ; Electrophile ; Olefin fiber Catalytic Cross-Coupling Reactions ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic C–H Functionalization Methods
Authors: Saugata Sarker | Yu Wang | Yongwen Sun | Caeli Benyacko | Saeed S.I. Almishal | Tao Zhou | Zhiyu Zhang | Jadupati Nag | Himirkanti Sarkar | Jeffrey Shallenberger | Hemant Yennawar | Yang Yang | Jon-Paul Maria | Zhiqiang Mao | Venkatraman Gopalan
Source: Advanced Functional Materials (article, 2026-01-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

High Entropy Wide‐Bandgap Borates with Broadband Luminescence and Large Nonlinear Optical properties ABSTRACT We report the first successful synthesis and characterization of a new family of high‐entropy rare earth borate ( R n BBO) single crystals with compositions R 5 Ba 3 (B 3 O 6 ) 3 and R 6 Ba 3 (B 3 O 6 ) 3 ( R = Nd, Tb, Sm, Dy, Gd, Yb, Er). Using configurational entropy as a tuning knob, these systems have been grown as large, highly crystalline boules that exhibit a bandgap of ≈5 eV and significantly enhanced optical transparency (20–50%) over singlecomponent systems. The presence of multiple rare‐earth elements results in broadband photoluminescence in both the visible and the near‐infrared wavelength ranges, with co‐existing emission bands at 605, 705, 813, 910, and 1030 nm. Further, broken inversion symmetry enables optical second‐harmonic generation (SHG) with potential for both type‐I and type‐II phase matching. Our highest observed effective phase‐matched SHG coefficient of ≈ 2.1 pm V −1 at 800–400 nm wavelength conversion is 20% better than the commercial β‐BaB 2 O 4 (BBO), while its laser‐induced surface damage threshold is 5‐6 × larger for 100 fs 800 nm pulse, enabling potentially an order of magnitude improvement in the frequency conversion efficiency. This work illuminates the promise of high‐entropy synthesis strategy for designing next‐generation optoelectronic materials that combine increased transparency, strong broadband luminescence, and enhanced nonlinear response in a single platform. Photoluminescence ; Broadband ; Luminescence ; Boron ; Point reflection ; Wavelength ; Band gap ; Nonlinear optical ; Doping Crystal Structures and Properties ; High-pressure geophysics and materials ; Photorefractive and Nonlinear Optics
Authors: Leiqiang Qin | Rutuparna Samal | Jianxia Jiang | Joseph Halim | Ningjun Chen | Florian Chabanais | Per O. Å. Persson | Johanna Rosen
Source: Energy & environment materials (article, 2026-01-09)
Field: Materials Science — Materials Chemistry

Defect Engineering and Effect of Vacancy Concentration on the Electrochemical Performance of V‐Based <scp>MXenes</scp> Vacancies play a pivotal role in determining the physical and chemical properties of materials. Introducing vacancies into two‐dimensional (2D) materials offers a promising strategy for developing high‐performance electrode materials for electrochemical energy storage. Herein, a facile top‐down strategy is employed to create V‐based MXenes with tunable vacancy concentrations, achieved by designing the precursor (V 1−x Cr x ) 2 AlC (x = 0.05, 0.1, 0.3) MAX phase and precisely controlling the etching process. Systematic investigations reveal that introducing a moderate concentration of Cr‐induced vacancies significantly enhances both the capacitance and rate performance of V‐based MXenes. Specifically, V 1.9 CT z achieves a capacitance of 760 F g −1 , far exceeding the 420 F g −1 of vacancy‐free V 2 CT z MXene. In contrast, an excessively high vacancy concentration leads to deteriorated electrochemical performance and compromised structural stability. This work illustrates that defect engineering is a powerful approach to tailor the electrochemical properties of MXenes, offering a framework for designing next‐generation MXene‐based energy storage systems. Vacancy defect ; Capacitance ; Electrochemistry ; MXenes ; Electrode ; Work (physics) MXene and MAX Phase Materials ; Supercapacitor Materials and Fabrication ; Advancements in Battery Materials
Authors: Zhongwei Zhang | Fengting Mao | Min Yao | Shiyuan Zhao | Sijing Zhu | Zhengniu Pan | Jun-Liang Chen | Yu Li | Qi Zhou | Wentao Zhang | Jie Chen | Jie Gao | Lei Miao
Source: Journal of Advanced Ceramics (article, 2026-02-04)
Field: Materials Science — Materials Chemistry

Synergistic shallow impurity levels and multiscale defect engineering in GeTe-based thermoelectrics By&nbsp;the&nbsp;coordinated implementation of shallow impurity level engineering and multiscale defect engineering, this study achieves simultaneous optimization of electrical transport and thermal conduction in GeTe-based thermoelectric (TE) materials. This synergistic mechanism originates from the unique electronic configuration of Ni, whose d-sp orbital hybridization introduces shallow impurity levels that promote valence band convergence, thereby enhancing carrier effective mass and the Seebeck coefficient. Concurrently, in situ reactions between Ni and Ge form NiGe nanophases (10-30 nm), constructing multiscale defect structures that enable full-spectrum phonon scattering and suppress the lattice thermal conductivity of the Ge<sub>0.885</sub>Sb<sub>0.1</sub>Ni<sub>0.015</sub>Te sample to approximately ~0.8 W m<sup>-1</sup>&nbsp;K<sup>-1</sup>&nbsp;at 323 K. Leveraging this cooperative optimization, Ge<sub>0.885</sub>Sb<sub>0.1</sub>Ni<sub>0.015</sub>Te attains a peak <em>ZT</em>&nbsp;value of 2.15 at 773 K and an average <em>ZT</em><sub>avg</sub>&nbsp;of ~1.45 (323–773 K). A fabricated single-leg device achieves a conversion efficiency of approximately ~10% under ∆<em>T</em>&nbsp;= 420 K, ranking among the top performances in the field. This work establishes a solid foundation for enhancing the performance and expanding the applications of GeTe-based TE materials. Thermoelectric materials ; Impurity ; Phonon ; Thermoelectric effect ; Thermal conductivity ; Thermal conduction ; Scattering ; Effective mass (spring–mass system) Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Phase-change materials and chalcogenides
Authors: Xiaopeng Shang | Xuetao Yue | Lin Pan | Jingliang Dong
Source: Buildings (article, 2026-01-07)
Field: Materials Science — Materials Chemistry

Mechanisms and Protection Strategies for Concrete Degradation Under Magnesium Salt Environment: A Review Concrete structures suffering from Mg2+ environments may suffer severe damage, which mainly has something to do with the coupled effect among Cl−, SO42−, and Mg2+. Based on a systematic review of Web of Science and Scopus database (2000–2025), we first summarized the migration behavior, reaction paths, and interaction mechanism of Cl−, SO42−, and Mg2+ in cementitious matrices. Secondly, from the perspective of Cl− cyclic adsorption–desorption breaking the passivation film of steel bars, SO42− generating expansion products leads to crack expansion, then Mg2+ decalcifies C-S-H and transforms into M-S-H; we analyzed the main damage mechanisms, respectively. In addition, under the coexistence conditions of three kinds of ions, the “fixation–substitution–redissolution” process and “crack–transport” coupling positive feedback mechanism further increase the development rate of damage. Then, some anti-corrosion measures, such as mineral admixtures, functional chemical admixtures, fiber reinforcements, surface coatings, and new binder systems, are summarized, and the pros and cons of different anti-corrosion technologies are compared and evaluated. Lastly, from two aspects of simulation prediction for the coupled corrosion damage mechanism and service life prediction, respectively, we have critically evaluated the advances and problems existing in the current research on the aspects of ion migration-reaction coupled models, multi-physics coupled frameworks, phase-field methods, etc. We found that there is still much work to be conducted in three respects: deepening mechanism understanding, improving prediction precision, and strengthening the connection between laboratory test results and actual projects, so as to provide theoretical basis and technical support for the durability design and anti-corrosion strategies of concrete in complex Mg2+ environments. Durability ; Corrosion ; Service life ; Mechanism (biology) ; Cementitious ; Passivation Magnesium Oxide Properties and Applications ; Concrete and Cement Materials Research ; Concrete Corrosion and Durability
Authors: Andrés F. Barajas-Solano
Source: Phycology (article, 2026-02-01)
Field: Materials Science — Biomaterials

Integrating C-Phycocyanin, and Polyhydroxybutyrate Recovery Using a Triphasic System: Experimental Design and Optimization in Thermotolerant Potamosiphon sp. This research assesses a triphasic extraction technique for the sequential retrieval of C-phycocyanin (C-PC) and polyhydroxybutyrate (PHB) from a thermotolerant Potamosiphon sp. strain. A two-stage design-of-experiments methodology was employed (Minimum Run Resolution V factorial design involving six variables, followed by a central composite design (CCD)) to optimize the chosen region. In the factorial stage, PHB ranged from 109.396 to 168.995 mg/g, and the model was significant (F = 22.63, p &lt; 0.0001). Freeze-milling and vortexing were identified as critical elements, underscoring the importance of the t-butanol × (NH4)2SO4 interaction for phase selectivity. The CCD concentrating on freeze-milling and vortex cycles yielded a robust quadratic model (F = 78.18, p &lt; 0.0001), forecasting a peak PHB yield of 191.82 mg/g at six freeze-milling cycles and three vortex cycles (desirability 0.921), while maintaining t-butanol at 19.9 mL, t-butanol concentration at 94.7% (v/v), (NH4)2SO4 at 49.9% (w/v), and vortex duration at 1.2 min. Ten separate trials validated the model’s accuracy, yielding an observed PHB of 191.5 mg/g, which closely matched the model’s prediction. The platform facilitates an integrated downstream process in which C-PC is recovered under moderate conditions before triphasic partitioning. This enables the simultaneous valorization of pigment, lipophilic fraction, and biopolymer inside a unified cyanobacterial biorefinery process. Polyhydroxybutyrate ; Factorial experiment ; Fractional factorial design ; Central composite design ; Biorefinery ; Response surface methodology ; Biopolymer ; Yield (engineering) biodegradable polymer synthesis and properties ; Algal biology and biofuel production ; Enzyme Catalysis and Immobilization
Authors: Yang Li | Kang Yu | Zhiyong Xu | Jie Zeng | Jinyu Wei | Haipeng Jiang | Yuanyuan Zhu | Shuangxi Gu | Xiang Ma
Source: Nature Communications (article, 2026-01-06)
Field: Chemistry — Spectroscopy

Rapid enantioselective fluorescence recognition and chiral separation of free amino acids Enantioselective recognition and chiral separation of amino acids hold significant importance in chemistry, materials science, and life science. Here, we report a water-soluble chiral fluorescent probe that enables visual chiral recognition and separation by incorporating a morpholinium quaternary cation into the 1,1'-bi-2-naphthol frameworks. Upon binding with free amino acid enantiomers, the probe achieves rapid chiral discrimination within 100 s, accompanied by distinct changes in luminescence color or intensity. The underlying mechanism of this chiral recognition involves imine formation and electrostatic interactions, accompanied by aggregation-induced emission. These processes collectively promote selective aggregation and precipitation between the probe and specific enantiomers of amino acids. Furthermore, the enantiomers can be efficiently separated from D-/L- amino acid mixtures through a simple filtration process. Comparative analyses using a fluorescence visualization and chiral high performance liquid chromatography further validate the probe's efficacy in achieving efficient chiral separation. This study provides a practical approach for the precise detection and separation of amino acid enantiomers. Enantiomer ; Enantioselective synthesis ; Amino acid ; Imine ; Fluorescence ; Chiral derivatizing agent ; Stereoisomerism ; Chirality (physics) Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes ; Analytical Chemistry and Chromatography
Authors: Saibal Chanda | Wenshe Ray Liu
Source: Angewandte Chemie International Edition (article, 2026-02-11)
Field: Chemistry — Organic Chemistry

From Covalent Traps to Fluorescent Beacons: The Expanding Arsenal of Chemical Probes for Studying Ubiquitin and Ubiquitin‐Like Proteins Ubiquitin (Ub) and ubiquitin-like proteins (Ubls) orchestrate diverse cellular processes through reversible post-translational modification of target proteins. Their conjugation is governed by a cascade of E1 activating, E2 conjugating, and E3 ligating enzymes, while deconjugation is mediated by deubiquitinases (DUBs) and Ubl-specific proteases. Profiling the catalytic activity of these enzymes is essential for understanding the dynamics and specificity of Ub/Ubl signaling. Activity-based probes (ABPs) have emerged as powerful tools to covalently label active enzymes through electrophilic warheads that target catalytic residues. Unlike conventional affinity-based approaches, ABPs capture functional states of enzymes in complex biological systems. This review provides a comprehensive analysis of ABPs designed for the Ub/Ubl signal pathways, encompassing probes for Ub, SUMO, NEDD8, ISG15, FAT10, UFM1, URM1, Atg8-family modifiers, and FUBI (MNSFβ). We discuss key elements of probe design, including recognition domains, electrophilic warheads (e.g., vinyl sulfones, vinyl methyl esters, propargylamine, azapeptide esters), and detection tags. Particular emphasis is placed on emerging azapeptide ester-based probes, which structurally mimic native enzyme-substrate intermediates and offer high selectivity and reactivity. ABPs targeting E1, E2, and HECT/RBR E3 ligases are also highlighted, expanding their utility beyond classical DUB profiling. We further compare warhead chemistries, enzyme selectivity, and labeling strategies, and examine structural insights derived from probe-enzyme complexes. Collectively, these tools have transformed our ability to interrogate Ub/Ubl-regulating enzymes in vitro and in cells. The review concludes with perspectives on next-generation probe development, including cell-permeable designs, spatiotemporal control, and applications in systems biology and drug discovery. Ubiquitin ; Enzyme ; Warhead ; Covalent bond ; Chemical biology ; Electrophile ; Fluorescence ; Protein engineering Click Chemistry and Applications ; Ubiquitin and proteasome pathways ; Protein Degradation and Inhibitors
Authors: Sara Wahib | Yassmin Ibrahim | Shimaa S. El-Malah | Janarthanan Ponraj | Anupma Thakur | Srinivasa Kartik Nemani | Babak Anasori | Khaled A. Mahmoud
Source: npj 2D Materials and Applications (article, 2026-01-19)
Field: Materials Science — Materials Chemistry

ROS-driven antibacterial mechanisms of multi-metallic (TiVNbMo)₄C₃Tx MXene Abstract Multi-metallic MXenes such as entropy-stabilized (TiVNbMo) 4 C 3 T x exhibit synergistic electronic and redox properties beyond those of monometallic MXenes, yet their antibacterial behavior in aqueous environments remains poorly understood. In particular, how multi-elemental composition influences bactericidal mechanisms has not been elucidated. Here, we investigate how multi-metallic composition governs the antibacterial performance of (TiVNbMo)₄C₃Tₓ MXenes in direct comparison with monometallic Ti 3 C 2 T x and Nb 2 CT x . This work links material structure to ROS generation and membrane disruption, providing a mechanistic basis for MXene design. Concentration-dependent colony-forming unit (CFU) assays against Escherichia coli and Staphylococcus aureus revealed that (TiVNbMo) 4 C 3 T x achieved &gt; 98% bacterial viability loss within 4 h at 100–200 μg/mL. Scanning and transmission electron microscopy showed membrane rupture consistent with a nanoknife effect. Furthermore, oxidative-stress analysis by abiotic assays demonstrated that (TiVNbMo) 4 C 3 T x generates stronger oxidative stress, superoxide (O 2 •⁻), and hydroxyl radicals (•OH) than Ti 3 C 2 T x and Nb 2 CT x . Moreover, monometallic MXenes exhibited measurable antibacterial activity; however, the larger-flake, multi-metallic MXene demonstrated superior killing efficiency, particularly at low concentrations, where ROS generation dominated and the nanoknife-like physical effect served as a secondary contribution. These findings confirm that (TiVNbMo) 4 C 3 T x enhances both ROS-mediated and physical antibacterial activity. MXenes ; Antibacterial activity ; Membrane ; Radical ; Redox ; Bacteria ; Reactive oxygen species MXene and MAX Phase Materials ; Nanoplatforms for cancer theranostics ; Advanced Nanomaterials in Catalysis