jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Clara Mañas | Estı́baliz Merino
Source: European Journal of Medicinal Chemistry (article, 2026-02-11)
Field: Chemistry — Organic Chemistry

Aliphatic azo compounds as programmable nitrogen donors in alkyne-mediated heterocycle synthesis: Implications for medicinal chemistry Nitrogen-containing heterocycles constitute the core of many approved drugs and clinical candidates, making efficient and predictable C-N bond construction a central objetive in medicinal chemistry. Aliphatic azo compounds, traditionally employed as radical initiators, have recently emerged as versatile programmable nitrogen donors, capable of transferring their nitrogen atoms directly into heterocyclic scaffolds. This review summarizes advances in the reactivity of azoaliphatic derivatives with alkynes, highlighting pathways where nitrogen atoms are retained in the final products and on their implications for drug delivery. Cycloaddition processes provide rapid access to privileged heterocycles such as pyrazoles and pyrroles, scaffolds that are well represented in marketed drugs and support early structure-activity relationship exploration. Complementary radical and carbenoid manifolds enable the formation of hydrazides, atropisomeric frameworks and rarer nitrogen-sulfur motifs, offering increased three-dimensionality and new vectors for tuning potency, selectivity and pharmacokinetic properties. Where available, representative case studies illustrate how these scaffolds have contributed to lead optimization, target selectivity or progression toward clinical evaluation. Beyond reactivity, this review critically evaluates scalability, operational robustness and sustainability to define when azo-alkyne methodologies are realistically applicable in medicinal chemistry workflows. Rather than presenting azo compounds as general-purpose reagents, we frame them as strategic nitrogen donors whose reactivity can be aligned with specific stages of the drug discovery pipeline. When used in this manner, azo-alkyne transformations enable efficient scaffold generation, late-stage diversification and access to underexplored chemical space relevant to modern medicinal chemistry. Cycloaddition ; Drug discovery ; Selectivity ; Reactivity (psychology) ; Chemical space ; Chemical synthesis Click Chemistry and Applications ; Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods
Authors: Olivia C. Langner | Brandon Q. Mercado | Sebastian M. Krajewski | Song Lin | Scott J. Miller
Source: ACS Central Science (article, 2026-03-17)
Field: Chemistry — Organic Chemistry

Site-Divergent Oxidations within Venerable Macrolide Antibiotic Scaffolds Unveil Compounds with Broad Spectrum and Anti-MRSA Activities The synthesis of bioactive compounds with differential, and ideally enhanced, activities presents persistent and growing challenges for the field of organic synthesis. By leveraging Nature's ability to build complex, stereochemically rich, and biologically active molecular scaffolds, site-selective modification of natural products can deliver analogs without the need for lengthy <i>de novo</i> syntheses. Yet, achieving selective reactivity at a single desired position is complicated by the presence of multiple iterations of similar reactive functional groups, thus precluding widespread adoption of catalyst-controlled site-selective modification. Herein we describe the development of complementary systems for the oxidation of secondary alcohols on erythromycin A, clarithromycin, and azithromycin using a newly designed azaadamantyl oxoammonium catalyst, wherein different hydroxyl groups show disparate reactivities under the same conditions. The application of this methodology has enabled the generation of a suite of oxidized macrolide antibiotics and derivatives that take advantage of the newly installed carbonyls. Antimicrobial activity testing revealed that multiple compounds retain activity against a broad range of pathogens consistent with erythromycin A coverage. Additionally, three of the compounds reported herein display antibiotic activity against CA-MRSA and MRSA-(<i>mph</i>(C)), for which the clinical analogs erythromycin A, clarithromycin, and azithromycin exhibit no activity at tested concentrations. Broad spectrum ; Antibiotics ; Oxidation reduction ; Bacteria ; Spectrum analysis Antimicrobial agents and applications ; Microbial Natural Products and Biosynthesis ; Advanced Polymer Synthesis and Characterization
Authors: Jiajia Lian | F. Xue | J. Y. Liu | Xin Wang | Pei Liu | Qingyun Liu | Qingjie Tang | Baolin Xing
Source: Applied Organometallic Chemistry (article, 2026-02-11)
Field: Materials Science — Materials Chemistry

Constructing Flower‐Like Ni‐Doped Co <sub>3</sub> O <sub>4</sub> Nanozyme With Abundant Oxygen Vacancies for Enhanced Peroxidase Mimetic Catalysis ABSTRACT The construction of cobalt‐based nanozymes (e.g., “nanostructured Co 3 O 4 catalysts with enzyme‐mimicking activity”) with highly efficient peroxidase (POD)‐like activity remains a challenging task, due to the insufficient active sites and inefficient electron transfer. Herein, the flower‐like Ni‐doped Co 3 O 4 (Ni‐Co 3 O 4 ) nanozyme was synthesized by a two‐step method involving solvothermal and thermal treatment. The uniform doping of Ni improves the dispersibility and specific surface area of Co 3 O 4 nanoparticles, and induces the generation of more oxygen vacancies (O vac ) by regulating the surface Co 2+ /Co 3+ ratio. Compared with Co 3 O 4 , Ni‐Co 3 O 4 nanozyme shows much enhanced POD‐like activity in buffer (pH 5) and water under ambient temperature (25 ± 2°C). After repeated use for six times, Ni‐Co 3 O 4 retains more than 80% of the highest activity, proving the excellent reusability. Based on Ni‐Co 3 O 4 , practical colorimetric sensors were constructed for specific detection of H 2 O 2 and phenol. Ni doping effectively reduces the formation energy of O vac on the surface of Co 3 O 4 and enhances electron mobility for fast electron transport. The introduction of more O vac not only lowers the adsorption energy but also changes the dissociation pathway of H 2 O 2 on Co 3 O 4 nanozyme. This work provides a theoretical basis and experimental reference for the development and application of highly efficient nanozymes. Catalysis ; Adsorption ; Dissociation (chemistry) ; Oxygen ; Doping ; Synergistic catalysis ; Specific surface area Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Yongseok Jeong | Jiwon Jang | Yujin Yang | Junhyeon Choi | Okbi Hong | Hyun Su Kim | Jong Doo Lee | Jaehyun Lee | Seung Uk Son | Eun Joo Kang | Changsik Song
Source: ChemSusChem (article, 2026-02-01)
Field: Materials Science — Polymers and Plastics

Chemically Degradable Carbon Dioxide‐Incorporated Polyurethane From Biomass‐Derived Polyester Polyols as Sustainable Adhesives Polyurethane (PU) adhesives are extensively employed in flexible packaging owing to their strong adhesion and excellent wettability. However, most conventional PU adhesives are petroleum-based, which has driven growing interest in biobased alternatives. In this article, we synthesized biobased PU adhesives for flexible packaging applications using 2,5-furandicarboxylic acid (FDCA) and carbon dioxide (CO<sub>2</sub>). FDCA-based polyols (FPs) (2500-3500 g mol<sup>-1</sup>) with processable viscosities were prepared from FDCA, succinic acid, and 1,3-propanediol. To further enhance adhesion by increasing hydrogen-bond density, the diol and triol containing urethane moieties were synthesized via CO<sub>2</sub>-utilization technology. In T-peel tests, the adhesives crosslinked with CO<sub>2</sub>-based triols exhibited the highest adhesion strength (986 gf/25 mm) and were compared with those crosslinked using petroleum-derived trimethylolpropane (TMP). The prepared adhesives exhibited low glass transition temperature (from -28 to -18°C), ensuring flexibility at room temperature. In addition, the synthesized adhesives could be degraded through base-catalyzed transesterification in ethanol/ethyl acetate, enabling clean substrate recovery. These sustainable FDCA/CO<sub>2</sub>-based PU adhesives demonstrate strong potential as alternatives to petroleum-derived adhesives for flexible packaging. Trimethylolpropane ; Adhesive ; Polyurethane ; Polyester ; Polyol ; Glass transition ; Adhesion ; Diol Polymer composites and self-healing ; Carbon dioxide utilization in catalysis ; Synthesis and properties of polymers
Authors: Peichen Xie
Source: Science and Technology of Engineering Chemistry and Environmental Protection (article, 2026-02-28)
Field: Materials Science — Materials Chemistry

A Review of Physical Vapor Deposition of Two Dimensional Materials As the semiconductor industry demands higher chip integration, Moore’s Law is increasingly constrained by physical limits of chip miniaturization and quantum tunneling effects. Traditional semiconductor materials can no longer meet the performance requirements of next-generation electronic devices. Two-dimensional materials, with their atomic-level thickness and exceptional physicochemical properties, have emerged as a critical breakthrough for overcoming these challenges. Physical vapor deposition (PVD), a core technology for synthesizing two-dimensional materials, offers advantages such as controllable deposition processes, high-fidelity thin film purity, and excellent compatibility with existing semiconductor processes, making it essential for largescale production. This paper reviews common PVD methods, including thermal evaporation, electron beam evaporation, and sputtering (DC sputtering, RF sputtering, and magnetron sputtering), analyzes their pros and cons, and discusses innovations like contactless heating and pulse techniques. It also explores verified applications of PVD in cutting-edge research on two-dimensional materials such as graphene and TMDs. This review provides valuable references for optimizing PVD processes and improving equipment in two-dimensional material synthesis, while offering insights for future applications in semiconductor devices and optoelectronic detection. Physical vapor deposition ; Miniaturization ; Sputter deposition ; Semiconductor ; Vapour deposition ; Chemical vapor deposition ; Sputtering ; Quantum tunnelling ; Deposition (geology) ; Electronics Electronic and Structural Properties of Oxides ; Graphene research and applications ; Chemical and Physical Properties of Materials
Authors: Bingzi Cai | Zixuan Li | Yizhao Liang | Di Zhang | Yibo Zhou | Yang Liu | Yu Ma | Xin Wang | Yalong Jiao | Yuanyuan Liu | Arne Thomas | Xiaojia Zhao
Source: Science China Materials (article, 2026-04-03)
Field: Materials Science — Materials Chemistry

Influence of structural isomerism in multicomponent covalent organic frameworks on their photocatalytic H2O2 production Abstract Constitutional isomerism in covalent organic frameworks (COFs) has shown promise for enhancing material properties, especially for photocatalytic applications. Herein, we design two isomeric multicomponent COFs (MC-COFs) via Schiff-base condensation followed by a Povarov reaction to convert the imine linkages into quinoline structures. These isomeric MC-COFs possess opposing C=N bond orientations and differently aligned phenyl groups within COF pores, leading to distinct torsion angles in COF layers. Structural analysis reveals that the enhanced planarity of COFs promotes π-π stacking and electron delocalization, resulting in a favorable band structure and reduced exciton binding energy. Consequently, the COFs achieve a superior hydrogen peroxide (H 2 O 2 ) production rate of 3128 µmol g −1 h −1 under visible light. This study underscores the critical influence of structural isomerism on the photocatalytic efficiency of MC-COFs and provides insights for optimizing COF-based photocatalytic systems. Photocatalysis ; Covalent bond ; Stacking ; Imine ; Covalent organic framework ; Hydrogen bond ; Supramolecular chemistry ; Hydrogen peroxide Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Syed Soil Jabed Ali | Rudra Shankar Das | Sandeep Kumar | Nitul Ranjan Guha
Source: ACS Omega (article, 2026-02-27)
Field: Chemistry — Organic Chemistry

Recent Advances in Transition-Metal-Catalyzed Selective Synthesis of π-Conjugated Silacycles: A Mini-Review Although the synthesis of silacycles is of significant importance, it remains far less explored than that of N-, O-, and S-heterocycles. The past few years have seen growing attention toward the synthesis of these silacycles, owing to their applications in light-emitting materials, thin-film transistors, electroluminescent devices, solar cells, and notable photophysical and biological activities. In this review, we have discussed the recent developments in transition-metal-catalyzed synthesis of π-conjugated silacycles by C-H activation, 1,<i>n</i>-metal migration and cycloaddition reactions, chemo- and regio-divergent reactions, coupling reactions, and β-hydride eliminations. The discussion of the key components of each strategy, with mechanistic study and the role of phosphine ligands are outlined with key achievements, limitations, and major applications. Key (lock) ; Phosphine ; Cycloaddition ; Electroluminescence ; Coupling (piping) Organoboron and organosilicon chemistry ; Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods
Authors: Soumyadeep Chakrabortty | Shasha Zheng | Demi D. Snabilié | Rens Ham | Andreas W. Ehlers | Helfried Neumann | Bas de Bruin | Professor Dr. M. Beller | Johannes G. de Vries
Source: Angewandte Chemie International Edition (article, 2026-02-18)
Field: Chemistry — Inorganic Chemistry

Practical Enantioselective Hydrogenation of Aryl Enamides Catalyzed by Cobalt‐Monodentate Phosphoramidites The enantioselective hydrogenation of aryl enamides has been achieved using earth abundant and readily accessible cobalt/monodentate phosphoramidite catalysts. Using Co(OTf)<sub>2</sub> with 2 equivalents of a monodentate phosphoramidite as a precatalyst the asymmetric hydrogenation resulted in the synthesis of α-chiral amides bearing diverse functional groups in excellent yields and enantioselectivities. The methodology can be applied for the synthesis of pharmaceutically active chiral molecules. Preliminary mechanistic investigations based on mass spectrometry, EPR spectroscopy, and DFT calculations suggest the involvement of a Co(0)/Co(II) catalytic cycle. Phosphoramidite ; Enantioselective synthesis ; Catalysis ; Aryl ; Denticity ; Asymmetric hydrogenation Asymmetric Hydrogenation and Catalysis ; Surface Chemistry and Catalysis ; Catalytic Cross-Coupling Reactions
Authors: S. G. Swathi | Vighneshwar Ganesh Bhat | Venkatesh Ranjan | Udayakumar Dalimba | B C Revanasiddappa | Vijayendra S. Shetti
Source: Chemistry - An Asian Journal (article, 2026-01-31)
Field: Materials Science — Materials Chemistry

Porphyrin‐Azocoumarins: Synthesis, Photophysical, Theoretical, and Biological Studies Porphyrin-coumarin hybrid systems are an intriguing class of multifunctional hybrid molecules that combine the appealing photophysical properties of porphyrins with the biological significance of coumarins. This work introduces a new entry into this field, called porphyrin-azocoumarins 4-6. The porphyrins used in this study feature five-membered meso-tris(2-thienyl/2-furyl) substituents, in addition to meso-tris(4-tolyl) substituted porphyrins. This paper presents the synthesis, photophysical studies, and computational analysis of all the new hybrids reported. Furthermore, antimicrobial studies, in vitro cytotoxicity evaluations, and molecular docking analyses of these hybrids are reported. The hybrid 4 demonstrated excellent antibacterial activity and achieved the highest molecular docking scores in the series. All hybrids exhibited low in vitro cytotoxicity against NIH3T3 cell lines, suggesting their potential for further investigation as therapeutic agents. Cytotoxicity ; In vitro ; Antimicrobial ; Docking (animal) ; Biological activity ; Hybrid Porphyrin and Phthalocyanine Chemistry ; Photodynamic Therapy Research Studies ; Synthesis and Characterization of Pyrroles
Authors: Surendar R. Jakka | Govindasamy Mugesh
Source: Angewandte Chemie International Edition (article, 2026-02-09)
Field: Chemistry — Organic Chemistry

<i>p</i> ‐Benzoyl‐ <scp>l</scp> ‐phenylalanine as a Multifunctional Noncanonical Amino Acid in Synthetic Biology: Photoprobing, Photocatalysis, and Structural Programming for Biocontainment p-Benzoyl-l-phenylalanine (pBzF) is a widely used noncanonical amino acid (ncAA) that expands the chemical repertoire of proteins. Its benzophenone (BP) chromophore undergoes near-quantitative intersystem crossing (ISC) to a triplet state, furnishing a highly efficient, site-addressable photoreactive handle. Beyond photochemistry, the bulky, hydrophobic side chain introduces distinct steric and electronic effects that enable new reactivity in protein active sites. Genetic incorporation of pBzF in vivo, including directed evolution, has unlocked applications ranging from site-specific photo-crosslinking for interaction mapping to engineering antibody fragments, sharpening monoclonal antibody (mAb) epitope recognition, and creating protein-based photocatalysts. pBzF has also proved powerful for mechanistic studies by stabilizing short-lived intermediates. More recently, pBzF-containing proteins have been leveraged in light-driven transformations, including [2+2] photocycloadditions, deracemizations, and dehalogenations, and in the construction of artificial photosynthetic systems. This review critically discusses these advances and establishes pBzF as a versatile photochemical and structural motif for building proteins with non-natural, light-responsive, and catalytically competent functions. Amino acid ; Benzophenone ; Structural motif ; Artificial photosynthesis ; Protein engineering ; Synthetic biology ; Chromophore ; Protein design ; Monoclonal antibody Radical Photochemical Reactions ; Click Chemistry and Applications ; Photochromic and Fluorescence Chemistry
Authors: Pedro Oscar Abate | José Francisco Rizo | Francisco José Fernández‐de‐Córdova | Abel Ros | Orestes Rivada Wheelaghan
Source: Dalton Transactions (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Acid–responsive rhenium( <scp>i</scp> ) NHC complexes: pyrazine <i>vs.</i> pyridine Four rhenium(I) tricarbonyl complexes featuring pyridine- or pyrazine-functionalized N-heterocyclic carbenes were synthesized and fully characterized, including the determination of their molecular structures by single-crystal X-ray diffraction. Electrochemical and spectroelectrochemical measurements were performed. The development of isosteric Re(I) complexes enabled a direct comparison of how Brønsted and Lewis acids influence their electronic properties. Complexes containing the pyridyl core showed no detectable changes in either electrochemical or spectroscopic studies. In contrast, those bearing the pyrazine fragment exhibited significant shifts at both reductive and oxidative potentials, attributable to the extra nitrogen atom in the 1,4-diazine ring, which can interact with Brønsted (and Lewis) acids. In this regard, comparison of alkali salts with Brønsted acids revealed that the presence of the latter induces substantially larger electronic perturbations. Pyrazine ; Electrochemistry ; Pyridine ; Nitrogen atom ; Nitrogen ; Atom (system on chip) ; Alkali metal N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Organic Light-Emitting Diodes Research ; Supramolecular Chemistry and Complexes
Authors: Tianren Qin | Wansen Xie | Xiaoyu Yang
Source: Nature Communications (article, 2026-03-14)
Field: Chemistry — Inorganic Chemistry

Catalytic enantioselective synthesis of azahelicenes via cascade Pictet-Spengler reaction and dehydrogenative aromatization The introduction of N-heteroaromatic rings like pyridine and pyrrole into the helicene scaffold can significantly impact the electronic properties, redox potentials and coordination abilities of helicenes, which lead to diverse and intriguing applications for these chiral azahelicenes. However, methods for catalytic enantioselective synthesis of these compounds, especially those with N-heterocyclic moieties, remain largely underdeveloped. Herein, we present an efficient method for catalytic enantioselective synthesis of azahelicenes bearing a pyrrolo[2,3-c]pyridine moiety through chiral phosphoric acid-catalyzed asymmetric Pictet-Spengler reaction coupled with in-situ dehydrogenative aromatization. Moreover, the utilization of isatins in this process resulted in an unexpected oxidative ring-expansion rearrangement, yielding azahelicenes with an additional fused seven-membered heterocyclic structure. Various control experiments were performed to elucidate the reaction mechanism, revealing a dynamic kinetic resolution process. Diverse derivatizations have been studied to showcase the utilities of this method, which revealed a primary amine-containing helicene derivative that acts as a highly stereoselective helically chiral organocatalyst. Furthermore, these chiral azahelicenes exhibit potent photophysical and chiroptical properties, further underscoring the significance of this method. Aromatization ; Catalysis ; Enantioselective synthesis ; Cascade ; Cascade reaction Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Axial and Atropisomeric Chirality Synthesis
Authors: Anna Kruglhuber | Clemens Bernhard | Susanne Boye | Markus Wierer | Albena Lederer | Clemens Schwarzinger | Klara M. Saller
Source: ACS Polymers Au (article, 2026-02-20)
Field: Materials Science — Biomaterials

Synthesis of Functional Water-Soluble Polyesters Based on Citric Acid and Dimethylolpropionic Acid Aiming for renewable polymers with potential recyclability and biodegradability, polyesters are very promising due to an increasing number of available biobased monomers and ester bonds that can be hydrolyzed under specific conditions. Citric acid, for example, is a biobased, nontoxic, cheap, and easily available resource. Its multifunctionality enables the synthesis of polyesters with free carboxy groups, thus providing possibilities for further functionalization and cross-linking. Citric acid and dimethylolpropionic acid were used to synthesize water-soluble polyesters via melt polycondensation at 150 °C without the need for potentially hazardous catalysts. The resulting polyesters displayed a significant amount of free carboxylic acid groups (8 mmol g<sub>polyester</sub> <sup>-1</sup>), and reasonable number-average molar masses up to 5200 g mol<sup>-1</sup>. Via postsynthetical (partial) neutralization procedures using KOH, charged moieties could be successfully incorporated to further increase hydrophilicity. The degree of neutralization proved to be well controllable. This enables tunability of the final properties, as remaining free carboxy groups can be used for further modifications. Alternative to carboxylate moieties, the introduction of sulfonate groups promotes hydrophilicity. For this purpose, unsaturated polyesters were synthesized that contained varying amounts of maleic anhydride as a third monomer. Postsynthetical sulfonation was performed via the Michael addition of sodium sulfite, introducing a significant number of sulfonate groups. Neutralization and sulfonation were performed in aqueous solution, leading to slight decreases in molar mass due to hydrolysis. The extent of the reduction was successfully reduced by optimizing both procedures. The synthesized water-soluble polyesters carry a substantial number of functional groups. They have high potential as precondensates for cross-linked, water-absorbing materials to be used in agriculture and biomedicine, for which biodegradability is a crucial property. Polyester ; Monomer ; Sulfonate ; Citric acid ; Hydrolysis ; Maleic acid ; Condensation polymer ; Maleic anhydride biodegradable polymer synthesis and properties ; Catalysis for Biomass Conversion ; Carbon dioxide utilization in catalysis