jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: B.D. Kossalbayev | A.M. Belkozhayev | A.O. Abaildayev | D.K. Kadirshe | R.A. Turganova | R.N. Tuleyev | G. Toleutay
Source: Experimental biology (article, 2025-01-01)
Field: Materials Science — Biomaterials

BACTERIAL CELLULOSE: ADVANCES AND CHALLENGES Bacterial cellulose (BC) is a highly pure, crystalline biopolymer synthesized by a variety of microbial species, offering remarkable mechanical strength, high water-holding capacity, and excellent biocompatibility. These unique physicochemical properties have driven extensive research into BC-based materials for biomedical devices, wound dressings, tissue engineering scaffolds, controlled drug delivery systems, sustainable packaging, filtration membranes, and flexible or wearable electronics. Unlike plant-derived cellulose, BC is free from lignin, hemicellulose, and other biomass-associated impurities, resulting in a nanofibrillar network with high crystallinity and tunable porosity. However, despite its advantages, large-scale industrial utilization remains constrained by high production costs, slow fermentation rates, and challenges related to process scale-up and strain stability.Recent strategies to overcome these limitations include the optimization of culture media using agro-industrial residues, bioreactor engineering to enhance oxygen transfer and productivity, co-culture systems to boost metabolic efficiency, and genetic or synthetic biology approaches to reprogram biosynthetic pathways. Additionally, emerging applications such as BC-based composite materials, bioinks for 3D bioprinting, and functionalized scaffolds for regenerative medicine highlight the growing translational potential of BC research. This review provides an integrated overview of BC-producing microorganisms, technological bottlenecks, economic considerations, and current advances aimed at improving scalability, sustainability, and commercial viability. Finally, key outlooks for future innovations and industrial deployment are discussed. Tissue engineering ; Regenerative medicine ; Bacterial cellulose ; Synthetic biology ; Biocompatible material ; Metabolic engineering ; Industrial biotechnology ; Biopolymer Advanced Cellulose Research Studies ; Biofuel production and bioconversion ; Bacterial biofilms and quorum sensing
Authors: Md Najmul Haque | Md Yakub Ali Khan
Source: Methods in Science and Technology Studies (article, 2025-10-05)
Field: Materials Science — Materials Chemistry

Thin-Film Deposition for ZnO-Based Semiconductors: Advantages, Challenges, and Future Directions This research dives into the field of thin film deposition, with a particular emphasis on its application in ZnO-based semiconductors. The examination tries to illustrate the array of benefits, intricate challenges, and bright prospects inherent in this field through an in-depth case study. Notably, the work emphasizes the benefits of thin film deposition techniques in ZnO-based semiconductor production, such as precise control over film thickness, improved material use, and the ability to modify electrical properties. It does, how-ever, recognize the difficulties in assuring uniformity and quality control in deposition, dealing with complex deposition processes, addressing interface effects to maximize device performance, and navigating material compatibility constraints. In terms of the future, the study sees significant potential in the development of advanced materials to augment ZnO-based semiconductor functionalities, the incorporation of nanotechnology to boost performance, and the emergence of novel monitoring strategies for real-time quality assurance during deposition. Sustainable deposition methods are also being considered considering environmental concerns. The study continues by emphasizing the revolutionary significance of ZnO-based semiconductors in many applications and emphasizing the importance of interdisciplinary collaboration to unlock the full spectrum of benefits and overcome hurdles in this dynamic field. This research provides a comprehensive look at the complex domain of thin film deposition in ZnO-based semiconductor environments, shedding light on its potential to transform technological landscapes and inspire creative solutions. Deposition (geology) ; Semiconductor ; Thin film ; Quality assurance ; Quality (philosophy) ; Sustainability ; Semiconductor materials ZnO doping and properties ; Thin-Film Transistor Technologies ; Surface Roughness and Optical Measurements
Authors: Xiaogang Li | Nan Zhang | Hua Zhang | Xindie Jin | Baojuan Xi | Shenglin Xiong | Xin Wang
Source: Nano Research (article, 2025-09-12)
Field: Chemistry — Electrochemistry

Noncovalent modulation for isolated cobalt-N <sub>4</sub> sites via metal-phthalocyanine molecule confinement boosts electrosynthesis of hydrogen peroxide Electrosynthesis of hydrogen peroxide through the two-electron oxygen reduction pathway provides a crucial alternative to the energy-intensive anthraquinone process. Nevertheless, the efficicency for hydrogen peroxide generation is limited by the competitive four-electron pathway. In this work, we report a noncovalent modulation strategy for the isolated CoN<sub>4</sub> sites by metal-phthalocyanine molecules confinement, which boosts the two-electron oxygen reduction towards generating hydrogen peroxide. The confined Co-phthalocyanine molecules on CoN<sub>4</sub> sites through π-π interactions induce the competitive *OOH adsorption between the two Co sites formed nanochannel. This noncovalent modulation contributes to the weakened *OOH binding on CoN<sub>4</sub> sites and thus suppresses its further dissociation, achieving the maximum selectivity of 95% with high activity for H<sub>2</sub>O<sub>2</sub> production. This work shows that tailoring noncovalent interactions beyond the binding sites is a promising approach to modulate the local structure of isolated metal sites and related catalytic performance. Hydrogen peroxide ; Non-covalent interactions ; Molecule ; Catalysis ; Selectivity ; Small molecule ; Hydrogen bond ; Adsorption Electrochemical Analysis and Applications ; Electrocatalysts for Energy Conversion ; CO2 Reduction Techniques and Catalysts
Authors: Dipali Bawankar | Sandeep C. Atram | Vrushabh Mandve | Aakash Bhonde | Ashutosh Puri
Source: Asian Journal of Pharmaceutical Research and Development (article, 2025-06-15)
Field: Chemistry — Organic Chemistry

Polymeric Micells: A Review Polymeric micelles have emerged as a highly effective strategy for drug delivery and targeted therapy. These nanoscopic colloidal structures are formed through the self-assembly of amphiphilic block copolymers in aqueous environments. Compared to conventional surfactant-based micelles, polymeric micelles offer enhanced stability and are capable of encapsulating significant quantities of hydrophobic drug molecules within their core.This review explores the fundamental aspects of polymeric micelles, including their general characteristics, physical properties, morphology, size, structural organization, and the underlying chemistry. The mechanism of micelle formation is also discussed, along with various types of polymeric micelles. Special attention is given to recent advancements in their biomedical applications, particularly in the treatment of cancer and COVID-19, as well as their use in oral and transdermal drug delivery, gene therapy, and targeted delivery to the brain. Micelle ; Amphiphile ; Drug delivery ; Transdermal ; Drug ; Copolymer ; Polymer Surfactants and Colloidal Systems ; Nanoparticle-Based Drug Delivery ; Advanced Polymer Synthesis and Characterization
Authors: Luca Fois | Daniela Bertani | M. Fantoni | Mattia Sponchioni | Giuseppe Storti
Source: Polymer Engineering and Science (article, 2025-11-04)
Field: Materials Science — Polymers and Plastics

A Simplified Polymerization Model for Fluorinated Polymers: Average Microstructural Properties and Recipe Optimization ABSTRACT Fluoropolymers cover a wide range of industrial applications, due to their valuable mechanical and thermal properties. The microstructure of the final product is the key to controlling its end‐use properties and to making them as close as possible to those required by the market. In this work, a model was proposed to evaluate the main average microstructural properties of the polymer, such as the number‐average molecular weight and the number of the different chain ends per polymer chain, resulting from formulation parameters like the quantity of initiator, chain transfer agent, and crosslinking agent and corresponding addition policies. A representative kinetic scheme was proposed, involving an iodinated degenerative transfer agent and a crosslinking agent. The combination of these two additives allows tuning iodine incorporation within the chains, a key feature for the product post‐processing. The model was first calibrated by fitting appropriate experimental data, then validated by exploiting additional data obtained under different operating conditions. Finally, the model was applied to determine the best feed policies for initiator, chain transfer agent and crosslinker ensuring the desired average properties of the final product. The reliability of the designed recipes was verified by comparison with experimental data obtained by implementing the addition policies predicted by the model. Reliability (semiconductor) ; Polymer ; Microstructure ; Polymerization ; Recipe ; Thermal ; Range (aeronautics) ; Product (mathematics) Polymer Science and PVC ; Polymer crystallization and properties ; Synthesis and properties of polymers
Authors: Qianli Xie
Source: OAJRC Environmental Science (article, 2025-04-09)
Field: Materials Science — Materials Chemistry

Advances in Microbial Synthesis of Metal Nanoparticles and Their Environmental Applications Metal nanoparticles have been used in a wide range of applications in areas such as chemical engineering, medicine, and environmental protection for their unique physicochemical properties. Compared with traditional physical and chemical synthesis methods, which are characterized by high energy consumption, environmental degradation, and high costs, biosynthesis methods have gradually become a research highlight because of their lower energy consumption, environmental friendliness, and good biocompatibility. The microbial synthesis of metal nanoparticles offers significant advantages since its biological reduction process converts metal ions into metal nanoparticles. Characteristics of this process vary among different microorganisms such as bacteria, fungi, yeasts, actinomycetes, microalgae, and viruses, as the microbial synthesis process is influenced by various factors including temperature, pH, metal ion concentration, and microbial biomass. Therefore, the morphology, size, and dispersion of the nanoparticles could be regulated given the above condition being optimized. Moreover, the combination of genetic engineering provides new directions for the controlled synthesis of nanoparticles, plays a crucial role in diversifying biologically synthesized nanoparticles, as well as speeding up synthesis rates and increasing production yields. Metal nanoparticles synthesized by microorganisms present excellent stability and biocompatibility, which will present us a wider application foreground in environmental improvement and drug delivery. This review summarizes the research advances in the microbial synthesis of metal nanoparticles, providing a comprehensive analysis of the advantages and limitations of different microorganisms in nanoparticle synthesis, researching the factors that affects its process and corresponding mechanisms, and proposing possible strategies for controlling nanoparticle shape, size, uniformity, dispersion, and improving synthesis rates. Nanoparticle ; Nanotechnology ; Environmental chemistry ; Biochemical engineering ; Chemistry ; Materials science ; Engineering Nanoparticles: synthesis and applications ; Nanotechnology research and applications
Authors: Ryosuke Miyake | Shoko Tanaka | Yui Sato | Kento Yonezawa | Masayuki Morimoto | Kaori Ueno‐Noto | Dapeng Zhang | Naoki Kishimoto | Hiroka Hatano | Hitoshi Asakawa | Nobutaka Shimizu
Source: ChemRxiv (preprint, 2025-07-10)
Field: Materials Science — Biomaterials

Contribution of kinetics and thermodynamics to the metal-mediated assembly of a flexible tripeptide into giant discrete structures To develop sophisticated artificial systems that are comparable to those in nature, understanding the principles controlling the assembly of flexible molecules into giant structures is essential. In this study, the metal-mediated self-assembly of a flexible tripeptide into three giant discrete complexes was analyzed using small-angle X-ray scattering along with other experimental and simulation studies. We revealed the kinetic and thermodynamic contributions during the assembly process, which resulted in the selective formation of two giant discrete structures of similar sizes in a water/acetonitrile solution. We also identified the factors that open the kinetic pathway to giant [2]-catenane structures in aqueous solutions. The formation of structures containing multiple components is generally considered kinetically unfavorable. However, our results revealed that solvent molecules and counterions kinetically initiate the formation of giant, multicomponent catenane structures in aqueous solutions. Kinetics ; Tripeptide ; Thermodynamics ; Chemistry ; Materials science ; Statistical physics ; Physics ; Classical mechanics ; Biochemistry Supramolecular Self-Assembly in Materials ; Chemical Synthesis and Analysis ; Machine Learning in Bioinformatics
Authors: Xinlong Wang | Aiping Yao | Chunyi Sun | Changyan Zhu | Jun Liu | Hong‐Liang Xu | Kui‐Zhan Shao | Chao Qin | Hong‐Ying Zang | Zhong‐Min Su | Donglin Jiang
Source: Research Square (preprint, 2025-08-21)
Field: Chemistry — Inorganic Chemistry

Enhanced proton conductivity in azole-functionalized 3D single-crystalline COFs achieved via solvent-free melt-phase postsynthetic modification Phase (matter) ; Conductivity ; Surface modification ; Materials science ; Chemical modification ; Proton ; Chemistry ; Chemical engineering ; Polymer chemistry ; Physical chemistry ; Organic chemistry ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Fuel Cells and Related Materials ; Covalent Organic Framework Applications
Authors: Iván Marín | Pengrong Lyu | Dirk J. Broer | Danqing Liu
Source: Advanced Optical Materials (article, 2025-08-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

New H‐Shaped Conjugated Reactive Liquid Crystals with Exceptionally Low Birefringence for Advanced Polymer Optics Abstract The growing demand for advanced optical materials in augmented reality (AR), virtual reality (VR), and imaging technologies requires new strategies to overcome the limitations of conventional high‐birefringence systems. Herein, the design, synthesis, and characterization of a novel series of conjugated H‐shaped liquid crystal (LC) molecules is reported with exceptionally low birefringence. These materials combine LC behavior with reactive end groups, enabling their integration into highly transparent, well‐aligned polymer films. The unique molecular architecture balances the extraordinary and ordinary refractive indices, minimizing anisotropy without compromising optical quality. Their incorporation into cholesteric liquid crystal (CLC) systems resulted in narrow reflection bandwidths of 37 nm on average across the visible spectrum, maintaining high transparency and preventing phase separation. The projection of sharp images and videos is successfully achieved on a transparent CLC coating that selectively reflects red, green, and blue wavelengths. These results demonstrate the significant potential of H‐shaped conjugated mesogens for the next generation of optical and photonic devices requiring precise birefringence control and optical clarity. Materials science ; Birefringence ; Conjugated system ; Liquid crystal ; Polymer ; Optics ; Optical materials ; Optoelectronics ; Nanotechnology ; Composite material Liquid Crystal Research Advancements ; Photochemistry and Electron Transfer Studies ; Porphyrin and Phthalocyanine Chemistry
Authors: Katerina Gavriel | Daniel Deißenbeck | Thomas J. Rutjes | Daniëlle W. T. Geers | Jan Meisner | Kevin Neumann
Source: ChemRxiv (preprint, 2025-04-17)
Field: Chemistry — Organic Chemistry

Programmable Site-Selectivity: pH-Modulated Triazine-Thiol Exchange for Site- and Chemoselective Cysteine Labelling The chemical modification of peptides is a powerful method to enhance their pharmacological properties, including membrane permeability, metabolic stability and binding affinity. Over recent decades, advances in chemoselective modifications have enabled the construction of well-defined peptide scaffolds with uniform and precise molecular architectures. However, beyond chemoselectivity, achieving true site-selectivity by differentiating between identical amino acids at distinct positions within complex peptide scaffolds remains a key challenge. So far, site-selectivity of cysteine labelling has been largely restricted to N-terminal cysteines. Here, we report a programmable strategy for site-selective cysteine modifications, ultimately enabling precise control over the location of cysteine functionalization within peptides. This is accomplished by employing a triazine-thiol exchange, a dynamic covalent reaction with pH-adjustable site-selectivity. We show that under acidic conditions internal cysteines are modified while preserving the N-terminal cysteine functionality. Conversely, at neutral pH, site-selective modification of N-terminal cysteines is achieved. The modification of N-terminal cysteines using triazine-thiol exchange proceeds via an S-N shift, which converts the dynamic linkage into an irreversible modification. Molecular dynamics simulations and density functional theory computations reveal that the site-selectivity originates from modulation of the formed intermediate, providing insights for future mechanism-based designs of site-selective peptide chemistries. The here presented methodology allows chemists to gain control over site-selectivity and unlock new possibilities for precision peptide engineering. Cysteine ; Labelling ; Thiol ; Triazine ; Chemistry ; Selectivity ; Combinatorial chemistry ; Computer science ; Organic chemistry ; Biochemistry ; Catalysis Click Chemistry and Applications ; Adenosine and Purinergic Signaling ; Synthesis and Catalytic Reactions
Authors: Stephen O’Sullivan | Leila Tabrizi | Kaja Turzańska | Ian P. Clark | Deirdre Fitzgerald‐Hughes | Mary T. Pryce
Source: Molecules (article, 2025-06-25)
Field: Materials Science — Materials Chemistry

Photophysical Properties and Protein Binding Studies of Piperazine-Substituted Anthracene-BODIPY Dyads for Antimicrobial Photodynamic Therapy This work presents the synthesis, characterisation, photophysical properties, time-resolved spectroscopic behaviour, and biological evaluation of two structurally distinct heavy-atom-free BODIPY-anthracene dyads (<b>BDP-1</b>) and the newly designed 2,6-bis[1-(tert-butyl) 4-(prop-2-yn-1-yl) piperazine-1,4-dicarboxylate] BODIPY-anthracene (<b>BDP-2</b>), incorporating 2,6-alkynyl-piperazine substituents for potential application in antimicrobial photodynamic therapy. <b>BDP-1</b> exhibits absorption and emission maxima at 507 nm and 516 nm, respectively, with a Stokes shift of 344 cm<sup>-1</sup> in dichloromethane (DCM), characteristic of unsubstituted BODIPYs. In contrast, <b>BDP-2</b> undergoes a red-shift in the absorption maximum to 552 nm (Stokes shift of 633 cm<sup>-1</sup>), which is attributed to the extended conjugation from the introduction of the alkyne groups. Time-resolved infrared spectroscopy confirmed efficient spin-orbit charge transfer intersystem crossing, and nanosecond transient absorption studies confirmed the formation of a long-lived triplet state for <b>BDP-2</b> (up to 138 µs in MeCN). A binding constant (K<sub>b</sub>) of 9.6 × 10<sup>4</sup> M<sup>-1</sup> was obtained for <b>BDP-2</b> when titrated with bovine serum albumin (BSA), which is higher than comparable BODIPY derivatives. <b>BDP-2</b> displayed improved hemocompatibility compared to <b>BDP-1</b> (<5% haemolysis of human erythrocytes up to 200 μg·mL<sup>-1</sup>). Antimicrobial activity of <b>BDP-1</b> and <b>BDP-2</b> was most potent when irradiated at 370 nm compared to the other wavelengths employed. However, <b>BDP-2</b> did not retain the potent (6 log) and rapid (within 15 min) eradication of <i>Staphylococcus aureus</i> achieved by <b>BDP-1</b> under irradiation at 370 nm. These findings demonstrate the rational design of <b>BDP-2</b> as a biocompatible, and heavy-atom-free BODIPY offering promise for targeted antimicrobial photodynamic therapeutic applications. Chemistry ; BODIPY ; Photochemistry ; Stokes shift ; Hypsochromic shift ; Anthracene ; Binding constant ; Piperazine ; Photodynamic therapy ; Ultrafast laser spectroscopy ; Fluorescence ; Organic chemistry ; Spectroscopy ; Binding site Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Photodynamic Therapy Research Studies
Authors: Amirhossein Bakhtiiari | Mohammad Khavani | Gustavo Costa | Ruibin Liang
Source: ChemRxiv (preprint, 2025-06-25)
Field: Materials Science — Materials Chemistry

Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Tubulin-Inhibiting Antimitotics through Multiscale Simulations Light-regulated drugs allow precise, reversible photocontrol of bioactivity with minimal side effects. However, predicting how substituents and biomolecular environment affect their photochemistry and light-responsive bioactivity remains computationally challenging. Here, we designed a systematic, multiscale simulation framework to characterize the photochemical structure-activity relationship (photo-SAR) of this class of molecules and benchmarked it on photostatin derivatives, a class of promising photoswitchable anti-cancer drugs that inhibit tubulin polymerization. Our approach uniquely integrates first-principles multi-state quantum dynamics, excited-state free energy calculations, and thermodynamic integration (TI), enabling accurate predictions of photochemical properties and protein-ligand interactions. Substituents and protein environment alter the photoisomerization quantum yield by modifying the dynamics of non-radiative decay. Protein electrostatics accelerates excited-state dynamics, whereas steric confinement has an opposite effect. TI simulations precisely capture the subtle effects of chemical modifications on the contrast in binding affinities between distinct isomers, greatly outperforming docking and end-point free energy methods. This computational framework thus holds significant potential for rational drug design in photopharmacology. Tubulin ; Biophysics ; Chemistry ; Chemical physics ; Microtubule ; Cell biology ; Biology Photochromic and Fluorescence Chemistry ; Organic Chemistry Cycloaddition Reactions ; Porphyrin and Phthalocyanine Chemistry