jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Martin C. Dietl | Christopher Hüßler | M. Scherr | Zoé M. Frederiksen | Jürgen Graf | Frank Röminger | Matthias Rudolph | Isabella Caligiuri | Laura Tripodi | Flavio Rizzolio | Thomas Scattolin | A. Stephen K. Hashmi
Source: RSC Advances (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Synthesis of azulenyl-substituted gold( <scp>i</scp> )-carbene complexes and investigation of their anticancer activity The direct and atom economic synthesis of azulenyl-substituted gold(i) carbene complexes, based on the modular template synthesis using gold(i) isonitrile complexes and amine nucleophiles, is presented. First, two azulenyl-substituted isonitriles as ligands were synthesized from a functionalizable azulene derivative, the latter stemming from a gold-catalyzed dimerization of internal alkynes. These azulene-bound gold(i) isonitrile complexes allow the smooth nucleophilic attack by both aliphatic and aromatic amines. The newly synthesized azulene-substituted gold(i) carbene complexes were evaluated for <i>in vitro</i> anticancer activity against multiple human cancer cell lines. Six lead compounds demonstrated potent and selective cytotoxicity, exceeding that of cisplatin by at least an order of magnitude in resistant and aggressive cancer models. Structure-activity relationship analysis revealed that specific ligand modifications, such as the position of the azulene moiety tethered to the carbene unit or nitrogen-bound ethyl or cyclic groups, are critical for enhancing the anticancer activity. Carbene ; Moiety ; Azulene ; Ligand (biochemistry) ; Nucleophile ; Amine gas treating ; Cisplatin Catalytic Alkyne Reactions ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Synthesis and Properties of Aromatic Compounds
Authors: Gitishree Das | Han‐Seung Shin | Jayanta Kumar Patra
Source: International Journal of Nanomedicine (article, 2025-11-01)
Field: Materials Science — Biomaterials

Recent Advances in Nanoparticle-Based Antiretroviral Drug Delivery Systems for HIV Treatment and Prevention: A Comprehensive Review Though nanotechnology offers many advantages over the conventional system of medications, it also gives rise to many side effects and challenges that need to be rectified for its better application. This review discusses the status and limits of conventional drug treatment and the recent advancements and updated strategies in nano-therapeutics for HIV treatment and cures, along with the possible mechanism of action of nano-mediated drugs, clinical translational challenges, and prospects of advanced nano-drug delivery schemes in HIV prevention and management. Human immunodeficiency virus (HIV) ; Drug delivery ; Antiretroviral therapy ; Mechanism (biology) ; Drug ; Targeted drug delivery ; Clinical trial Nanoparticle-Based Drug Delivery ; HIV-related health complications and treatments ; Biological Research and Disease Studies
Authors: Hui-Ying Ren | Miao Wang | Shan Jiang | Zi-Xiang Bin | Xiao-Qing Li | Bang Tun Zhao
Source:  (article, 2025-11-23)
Field: Chemistry — Organic Chemistry

One Stone, Three Birds: Synthesis of Multifunctional Lactam-Substituted Alkyl Sulfones Using Rongalite as Electron Donor, Sulfone Source, and C1 Synthon Substantial progress has been made in the single and dual functionalization of the 3,3-difluoro- γ-lactam radical for the synthesis of related derivatives. However, achieving its triple functionalization presents a significant challenge, primarily due Synthon ; Surface modification ; Sulfone ; Alkyl ; Halogenation ; Electron Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Fluorine in Organic Chemistry
Authors: Turki Alshehri | Israa Alkhalifah | Areeb Alotaibi | Alaa F. Alsulaiman | Abdoulhossain Madani | Basil Almutairi | Abdulrahman A. Balhaddad
Source: Frontiers in Dental Medicine (article, 2025-06-04)
Field: Materials Science — Biomaterials

The impact of Caralluma munbyana extracts on Streptococcus mutans biofilm formation These findings suggest that <i>C. munbyana</i> possesses antibacterial properties against <i>S. mutans</i> biofilms, particularly through its methanol and ethanol extracts. Streptococcus mutans ; Biofilm ; Absorbance ; Chemistry ; Ethanol ; Methanol ; Crystal violet ; Antimicrobial ; Microbiology ; Food science ; Bacteria ; Chromatography ; Biology ; Biochemistry ; Organic chemistry Phytochemistry and Bioactive Compounds ; Endodontics and Root Canal Treatments ; Antifungal resistance and susceptibility
Authors: Sitao Guan | Yang Zhao | Wenqing Wei | Hengdong Ren | Yuxiang Yan | Xinglong Wu
Source: Nano Research (article, 2025-06-24)
Field: Materials Science — Materials Chemistry

Rapid synergistic multi-polarization losses enable efficient micro-/terahertz-wave absorption and shielding in WO <sub>3</sub>-based 1T/2H-MoSe <sub>2</sub> in-plane heterojunctions The rapid development of microwave-terahertz frequency band technologies has created an urgent demand for broadband electromagnetic wave absorption materials. In this study, a heterostructured composite comprising mixed-phase 1T/2H-MoSe<sub>2</sub> (002) and WO<sub>3</sub> (200) nanosheets was constructed to realize efficient electromagnetic wave absorption and shielding across both microwave and terahertz frequency bands. In the microwave region, the 1T/2H-MoSe<sub>2</sub>/WO<sub>3</sub> absorber exhibits a minimum reflection loss of -66.62 dB at 14.98 GHz with a thickness of 1.77 mm, attributed to slow polarization relaxation induced by multiple interfaces and structural defects. In the terahertz range, the system delivers a dominant shielding effectiveness of 67.3 dB at 1.31 THz with a thickness of 2 mm. This performance arises from the precise alignment of the Fermi level of metallic 1T-MoSe<sub>2</sub> with the conduction band of WO₃ at the interface, enabling rapid electron injection into WO₃ with oxygen vacancies via electrochromism. This process induces the transition from W(VI)-O to W(VI⁻)-O, thereby enhancing both electronic and ionic polarization losses. When incorporated into polyvinyl alcohol (PVA) and fabricated into films, the resulting 500-μm-thick (1T/2H-MoSe<sub>2</sub>)/WO<sub>3</sub>/PVA composite film achieves a maximum shielding effectiveness of 71.51 dB in the 0.2-1.8 THz frequency range, demonstrating excellent practical applicability. Terahertz radiation ; Heterojunction ; Electromagnetic shielding ; Materials science ; Absorption (acoustics) ; Polarization (electrochemistry) ; Optoelectronics ; Optics ; Nanotechnology ; Chemistry ; Physics ; Composite material 2D Materials and Applications ; Terahertz technology and applications ; Heusler alloys: electronic and magnetic properties
Authors: Wei He | Haoran Xu | Annoor Awadasseid | Yanhua Song | Jianwei Wang | Wen Zhang
Source: ChemMedChem (review, 2025-04-17)
Field: Chemistry — Organic Chemistry

Progress in the Research and Development of Biphenyl Small Molecules Targeting PD‐1/PD‐L1 as Potential Antitumor Drug Candidates Cancer remains a major global health challenge, and cancer immunotherapy has emerged as a promising treatment strategy. A key immune checkpoint in this approach is the interaction between PD-1 and PD-L1, which suppresses immune responses against tumor cells. Although monoclonal antibodies targeting PD-1/PD-L1 have shown significant therapeutic potential, their use is hampered by limitations such as high costs, extended half-lives, and the potential for immune-related side effects. In response to these challenges, there is growing interest in the development of small-molecule inhibitors that can disrupt the PD-1/PD-L1 interaction more efficiently and cost-effectively. This review focuses on the design of biphenyl-based small molecules as inhibitors of the PD-1/PD-L1 pathway. We explore various design strategies, key structural features, and recent advancements in biphenyl-derived compounds. These insights contribute to the ongoing effort to develop alternative antitumor therapies with improved pharmacological profiles and therapeutic efficacy. Drug development ; Biphenyl ; Drug discovery ; Small molecule ; Drug ; Pharmacology ; Chemistry ; Combinatorial chemistry ; Computational biology ; Nanotechnology ; Stereochemistry ; Medicine ; Cancer research ; Biology ; Biochemistry ; Materials science ; Organic chemistry Synthesis and Biological Evaluation ; Cancer Mechanisms and Therapy ; Cancer Immunotherapy and Biomarkers
Authors: Antonio Pietroiusti | Giuseppina Somma | Antonio Torriero | C Verdini | Anna Neri | Andrea Magrini
Source: Giornale italiano di medicina del lavoro ed ergonomia (article, 2025-04-15)
Field: Materials Science — Materials Chemistry

Adverse health effects following exposure to engineered nanomaterials Advances in nanotechnology have enabled fabrication of nanomaterials with defined structures that areincreasingly being used for commercial purposes. Unlike chemical toxins, nanomaterials have unique interactions with macromolecules and cells based on their molecular size and interfacial physiochemistry. Adverse human health impacts due to occupational and environmental exposures to engineered nanomaterials (ENMs) are therefore of concern. Although the impact of ENMs on biological systems is still not clearly understood, strong evidence suggests that nanomaterials are present in human fluids and tissues. Effective and feasible hazard assessment of ENMs is urgently needed to guide regulation and policy-making and support the development of benign next generation ENMs. Beyond the physical parameters of the NMs themselves, the surrounding biological system has been shown to influence NM behavior, the nano-cellular interface, and subsequent biological responses.It has recently been established that ENMs, upon entry into a physiological environment, exhibit a tendency of physical adsorption with proteins, peptides, lipids and amino acids to render a "biocorona" that may influence the bioavailability and distribution of ENMs within the host system, at the cellular, tissue and whole organism level. Consequently, research on the health and safety implications of ENMs must include assessments of how the biocorona may impact toxicity and lead to a new 'biological' identity of the ENM.Although ongoing research suggests that almost every organ and organ system may be affected by ENMs, in this review we will focus on the main pathogenetic mechanisms and on key organ and organ systems such as the lung, the skin and the gastro-intestinal tract; we will also highlight several challenges associated with a comprehensive evaluation of their toxicity, including the vast and diverse array of ENM products, dependence on physicochemical characteristics and exposure matrices, and difficulties in quantifying dosimetry and dose-response. Possible attempts to overcome these challenges are also discussed. Occupational safety and health ; Environmental health ; Occupational exposure ; Risk analysis (engineering) ; Forensic engineering ; Medicine ; Engineering ; Pathology Nanoparticles: synthesis and applications ; Anesthesia and Neurotoxicity Research ; Nanotechnology research and applications
Authors: Joanderson Pereira Cândido Da Silva | Tiago Rodrigues e Silva | Alixandre Santana | Kicia Karinne Pereira Gomes-Copeland | João Victor Dutra Gomes | Omar Estrada | Yris Maria Fonseca-Bazzo | Pérola Oliveira Magalhães | Dâmaris Silveira
Source: Discover Plants. (article, 2025-08-01)
Field: Chemistry — Organic Chemistry

The underexplored chemical diversity and biological potential of Amaryllidaceae from Cerrado The Amaryllidaceae family encompasses numerous species characterized by a distinct group of alkaloids. Amaryllidaceae exhibit a wide distribution in all Brazilian biomes, with Cerrado hosting 29 species spanning five genera (Crinum, Griffinia, Hippeastrum, Nothoscordum, and Zephyranthes). An integrative review was conducted to assess the extent of available information documented in the literature concerning the chemical composition or biological activity of these 29 species. Among the examined species, Crinum americanum L., Crinum jagus (J.Thomps) Dandy, Hippeastrum glaucescens (Mart.) Herb., and Hippeastrum puniceum (Lam.) Kuntze emerged as the most extensively studied regarding chemical composition and biological activity. Conversely, no comprehensive reports on the chemistry and biological activity of Nothoscordum species were identified. Remarkably, data deficiency persists for 70% of the assessed species, underscoring the underexplored nature of Amaryllidaceae occurring in the Cerrado biome, notwithstanding their pharmacological and ornamental potential. Given the precarious state of the Cerrado vegetation, which ranks among the most threatened in South America, it is imperative to investigate these plants and explore sustainable ways for harnessing their inherent potential. Amaryllidaceae ; Diversity (politics) ; Biology ; Ecology ; Geography ; Psychology ; Sociology ; Botany ; Anthropology Chemical synthesis and alkaloids ; Botanical Research and Applications ; Alkaloids: synthesis and pharmacology
Authors: Yiming Yang Jónatansdóttir | Óttar Rolfsson | Jens G. Hjörleifsson
Source: FEBS Journal (article, 2025-02-27)
Field: Materials Science — Materials Chemistry

Human glycolysis isomerases are inhibited by weak metabolite modulators Modulation of enzyme activity by metabolites represents the most efficient and rapid way of controlling metabolism. Investigating enzyme-metabolite interactions can deepen our understanding of metabolic control and aid in identifying enzyme modulators with potential therapeutic applications. These interactions vary in strength, with dissociation constants (K<sub>d</sub>) ranging from strong (nm) to weak (μm-mm). However, weak interactions are often overlooked due to the challenges in studying them. Despite this, weak modulators can reveal unknown binding modes and serve as starting points for compound optimization. In this study, we aimed to identify metabolites that weakly modulate the activity of human glucose-6-phosphate isomerase (GPI) and triosephosphate isomerase (TPI), which are potential therapeutic targets in tumor glycolysis. Through a combination of activity and binding assays, the screening revealed multiple weak inhibitors for the two targets, causing partial attenuation of their activity, with K<sub>d</sub> and K<sub>i</sub> in the low mm range. X-ray crystallography revealed six orthosteric ligands binding to the active sites - four inhibitors of GPI and two of TPI. Our findings underscore the role of weak interactions in enzyme regulation and may provide structural insights that could aid the design of inhibitors targeting human GPI and TPI in cancer intervention. Metabolite ; Glycolysis ; Isomerase ; Chemistry ; Biochemistry ; FKBP ; Enzyme Enzyme Structure and Function ; Pancreatic function and diabetes ; Biochemical and Molecular Research
Authors: Huayun Shi | Rafael C. Marchi | Peter J. Sadler
Source: Angewandte Chemie (article, 2025-01-13)
Field: Materials Science — Materials Chemistry

Advances in the Design of Photoactivatable Metallodrugs: Excited State Metallomics Abstract Photoactivatable metal complexes offer the prospect of novel drugs with low side effects and new mechanisms of action to combat resistance to current therapy. We highlight recent progress in the design of platinum, ruthenium, iridium, gold and other transition metal complexes, especially for applications as anticancer and anti‐infective agents. In particular, understanding excited state chemistry related to identification of the bioactive species (excited state metallomics/pharmacophores) is important. Photoactivatable metallodrugs are classified here as photocatalysts, photorelease agents and ligand‐activated agents. Their activation wavelengths, cellular mechanisms of action, experimental and theoretical metallomics of excited states and photoproducts are discussed to explore new strategies for the design and investigation of photoactivatable metallodrugs. These photoactivatable metallodrugs have potential in clinical applications of Photodynamic Therapy (PDT), Photoactivated Chemotherapy (PACT) and Photothermal Therapy (PTT). Chemistry ; Ruthenium ; Photodynamic therapy ; Nanotechnology ; Excited state ; Combinatorial chemistry ; Biochemistry ; Organic chemistry ; Materials science Nanocluster Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Click Chemistry and Applications
Authors: Edith Mariez | Raphaël Trouillon
Source: Neuroelectronics. (article, 2025-05-15)
Field: Chemistry — Analytical Chemistry

Optimizing fast-scan cyclic voltammetry for the analysis of 17-βEstradiol and its interactions with dopamine Cyclic voltammetry ; Dopamine ; Voltammetry ; Chemistry ; Neuroscience ; Psychology ; Electrode ; Physical chemistry ; Electrochemistry Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Receptor Mechanisms and Signaling
Authors: Devdyuti Mazumder | Md. Imrul Hasan Ridoy | AKM Masud
Source: Asia-Pacific Journal of Chemical Engineering (article, 2025-11-14)
Field: Materials Science — Polymers and Plastics

Alumina–Silica Hybrid Reinforcement in Jute/Epoxy Composites: Mechanical Characterization and Modified Rule of Mixtures for Strength–Toughness–Hardness Optimization ABSTRACT Natural fiber composites offer sustainable alternatives to synthetic materials but need performance enhancement for structural applications. This study investigates the mechanical behavior of jute fiber–reinforced epoxy composites modified with alumina–silica hybrid fillers at varying compositions and loadings. Sixteen formulations containing 0–15 wt% filler with different alumina‐to‐silica ratios were fabricated using the hand layup technique with alkali‐treated jute fibers, followed by thermal post‐curing at 80°C. Mechanical characterization revealed complex interactions between filler composition and performance. Optimal tensile strength improvement of 20.8% was achieved with 2% alumina and 3% silica, while maximum flexural strength enhancement of 48.6% occurred at 1% alumina and 4% silica. Impact resistance similarly peaked at this lower alumina–higher silica combination, showing 27.9% improvement. In contrast, stiffness and hardness increased with both filler content and alumina proportion, with tensile modulus improving 38.8% and hardness 21.7% at 15% filler loading dominated by alumina. A modified Rule of Mixtures analysis with reinforcement efficiency coefficients quantified hybrid effects, revealing that 5% total filler maximized synergistic interactions. Higher concentrations showed diminishing returns, indicating agglomeration and disrupted matrix continuity. These findings are expected to guide the optimization of filler compositions to balance strength, toughness, and stiffness in sustainable composites. Filler (materials) ; Ultimate tensile strength ; Flexural strength ; Reinforcement ; Stiffness ; Characterization (materials science) ; Epoxy ; Composite number ; Modulus Natural Fiber Reinforced Composites ; Polymer Nanocomposites and Properties ; Mechanical Behavior of Composites
Authors: Ran An | Jinyue Liu | Haoran Ma | Yuqing Yan | Yuan‐Ru Guo | Qing‐Jiang Pan | Shujun Li
Source: C – Journal of Carbon Research (article, 2025-05-06)
Field: Chemistry — Spectroscopy

Fabrication of Wood-Derived Carbon Aerogel/Mg(OH)2 Bio-Composite and Its High Performance for Adsorption and Separation of Cadmium Ions To address the need for reducing carbon emissions and enhancing the sustainable utilization of non-fossil resources, a one-step calcination strategy has been developed to fabricate hierarchical carbon aerogels from balsa wood. The resulting wood-derived carbon aerogels (WCA) were functionalized with Mg(OH)2 to boost their environmental remediation potential. Comprehensive characterization using XRD, FT-IR, XPS, and SEM confirmed that the optimized WCA/Mg(OH)2 composite (WCAMg) retained a three-dimensional hierarchical porous structure, and Mg(OH)2 nanosheets were attached to it. The adsorption performance of WCAMg composites towards Cd2+ was systematically investigated through controlled experiments, which focused on three critical variables (Mg(OH)2 loading content, initial Cd2+ concentration and solution ionic strength). The functionalized WCAMg demonstrated a maximum Cd2+ adsorption capacity of 351.1 mg g−1—a tenfold improvement over pristine WCA. Combined with exceptional adsorption efficiency, this biomass-derived composite offers an eco-friendly, cost-effective solution for heavy metal ion remediation. Its scalable fabrication from renewable resources aligns with sustainable water treatment objectives, presenting the advantage of pollution mitigation. Aerogel ; Adsorption ; Cadmium ; Fabrication ; Composite number ; Carbon fibers ; Materials science ; Ion ; Chemical engineering ; Composite material ; Chemistry ; Metallurgy ; Organic chemistry Aerogels and thermal insulation ; Adsorption and biosorption for pollutant removal
Authors: Doris Crnčević | Renata Odžak | Matilda Šprung
Source: Croatica Chemica Acta (review, 2025-01-01)
Field: Chemistry — Organic Chemistry

A Short Review on Quaternary Ammonium Compounds (QACs): From Antibacterial Action to Next-Generation Design Quaternary ammonium compounds (QACs) are cationic surfactants used across various industries due to their physicochemical properties and biological activity.The most prominent characteristic of QACs is their profound antibacterial potential attributed to amphiphilic positively charged backbone which facilitates a strong membranolytic mode of action.However, concerns regarding bacterial resistance and environmental persistence have emerged due to their extensive use.Resistance mechanisms, including efflux pump activation and membrane modifications, threaten their long-term efficacy, while limited biodegradability leads to their accumulation in environmental settings.To mitigate these challenges, research is increasingly focused on developing next-generation QACs with enhanced biodegradability and lower toxicity.Structural modifications, such as the addition of the hydrolyzable functional groups and natural product-inspired derivatives, aim to balance antimicrobial efficacy with environmental sustainability.This review examines the structural diversity, mechanisms of action, and bacterial resistance development to QACs, alongside their ecological impact.Additionally, it highlights advances in sustainable QACs design, providing insight into future strategies for safer and more effective antimicrobial agents. Ammonium ; Action (physics) ; Quaternary ; Chemistry ; Antibacterial activity ; Combinatorial chemistry ; Organic chemistry ; Bacteria ; Biology Chemical Synthesis and Reactions ; Inorganic and Organometallic Chemistry ; Synthesis and biological activity