jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carmela Astorino | Eugenio De Nardo | Stefania Lettieri | Giuseppe Ferraro | Mattia Bartoli | Marco Etzi | Angelica Chiodoni | Candido Fabrizio Pirri | Sergio Bocchini
Source: Polymers (article, 2024-12-12)
Field: Materials Science — Materials Chemistry

Investigation of Solid-State Thermal Decomposition of Ammonia Borane Mix with Sulphonated Poly(ellagic Acid) for Hydrogen Release The utilization of hydrogen in safety conditions is crucial for the development of a hydrogen-based economy. Among all methodologies, solid-state hydrogen release from ammonia borane through thermal stimuli is very promising due to the high theoretical hydrogen release. Generally, carbonaceous or inorganic matrices have been used to tune the reactivity of ammonia borane. Nevertheless, these solutions lack chemical tunability, and they do not allow one to properly tune the complex chemical pathway of hydrogen release from ammonia borane. In this study, we investigated the effect of a bioderived multifunctional polymeric matrix on hydrogen release from ammonia borane, reaching pure hydrogen release of 1.2 wt.% at 94 °C. We also describe new chemical pathways involving the formation of anchored intermediates, namely BxNy species. Ammonia borane ; Hydrogen ; Ammonia ; Borane ; Thermal decomposition ; Chemistry ; Hydrogen storage ; Reactivity (psychology) ; Decomposition ; Polymer ; Materials science ; Solid hydrogen ; Organic chemistry ; Chemical engineering ; Inorganic chemistry ; Catalysis Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems ; Boron and Carbon Nanomaterials Research
Authors: Vaibhavi Vijay Kshatriya | Manoj Ramesh Kumbhare | Sandesh Ramchandra Jadhav | Prajakta Jaywant Thorat | Rushikesh Gajanan Bhambarge
Source: BIO Integration (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Updated Review on Recent Advances in Silver Nanoclusters in Bioanalytical and Biomedical Applications Abstract Silver nanoclusters (AgNCs) have emerged as highly adaptable nanomaterials with vast potential in theranostic applications, by integrating therapeutic and diagnostic capabilities within a single platform. This review summarizes current developments in the synthesis, characterization, and use of AgNCs for theranostics. AgNC synthesis has substantially advanced, and a variety of techniques such as chemical reduction, green synthesis, and templated methods are being used to manage stability, size, and form. AgNCs’ optical characteristics, including high fluorescence and surface-enhanced Raman scattering (SERS) signals, make them ideal for bioimaging and diagnostic applications. Furthermore, AgNCs’ surface chemistry enables simple functionalization with therapeutic drugs and targeting ligands, thus improving effectiveness and selectivity. AgNCs have been used in several diagnostic imaging modalities, including photoacoustic imaging, fluorescence imaging, and SERS-based sensing. They are suitable for both in vitro and in vivo imaging applications because of their exceptional photostability and biocompatibility, which enables real-time tracking of disease progression and therapy response. Nanoclusters ; Bioanalysis ; Nanotechnology ; Computer science ; Data science ; Materials science Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Yun Yin | Yajing Zhang | Qiuping Xie | Yunxiang He | Junling Guo
Source: ChemPlusChem (article, 2024-01-22)
Field: Materials Science — Materials Chemistry

Controlled Self‐Assembly of Natural Polyphenols Driven by Multiple Molecular Interactions Nature has exhibited a high degree of control over the structures and functions. Supramolecules have been utilized to mimic the subtle assembly in nature. However, sophisticated synthesis of molecular skeletons or programmable design of the driving forces raises great challenges in fabricating high-level superstructures in a controlled manner. Natural polyphenols show great promises as building blocks for a diverse of assemblies with controlled structures and functionalities. The intrinsically embedded phenolic groups (i. e., catechol and galloyl groups) are readily forming multiple molecular interactions, including coordination, hydrogen bonding, and π-π interactions with various materials of inorganic particles, organic compounds, synthetic polymers, and biomacromolecules, providing the self-assembled structures or nanocoating on surfaces. Subsequent assembly occurred by further bonding of polyphenols to construct supraparticles. To gain control over the self-assembly, the key lies in the interplay among the molecular interactions with one or two being dominant. In this Perspective, we introduce the representative polyphenol-based assemblies and their derived supraparticles to exhibit the effective harness of the controlled self-assembly by polyphenols. Nanotechnology ; Polyphenol ; Self-assembly ; Molecular self-assembly ; Supramolecular chemistry ; Hydrogen bond ; Chemistry ; Catechol ; Polymer ; Materials science ; Molecule ; Combinatorial chemistry ; Organic chemistry Pickering emulsions and particle stabilization ; Supramolecular Self-Assembly in Materials ; Advanced Polymer Synthesis and Characterization
Authors: Yassin H. Andaloussi | Debobroto Sensharma | Andrey A. Bezrukov | Dominic C. Castell | Tao He | Shaza Darwish | Michael J. Zaworotko
Source: Crystal Growth & Design (article, 2024-02-27)
Field: Chemistry — Inorganic Chemistry

Dinuclear Copper Sulfate-Based Square Lattice Topology Network with High Alkyne Selectivity Porous coordination networks (PCNs) sustained by inorganic anions that serve as linker ligands can offer high selectivity toward specific gases or vapors in gas mixtures. Such inorganic anions are best exemplified by electron-rich fluorinated anions, e.g., SiF<sub>6</sub><sup>2-</sup>, TiF<sub>6</sub><sup>2-</sup>, and NbOF<sub>5</sub><sup>2-</sup>, although sulfate anions have recently been highlighted as inexpensive and earth-friendly alternatives. Herein, we report the use of a rare copper sulfate dimer molecular building block to generate two square lattice, <b>sql</b>, coordination networks which can be prepared via solvent layering or slurrying, CuSO<sub>4</sub>(1,4-bib)<sub>1.5</sub>, <b>1</b>, (1,4-bib = 1,4-bisimidazole benzene) and CuSO<sub>4</sub>(1,4-bin)<sub>1.5</sub>, <b>2</b>, (1,4-bin = 1,4-bisimidazole naphthalene). Variable-temperature SCXRD and PXRD experiments revealed that both <b>sql</b> networks underwent reversible structural transformations due to linker rotations or internetwork displacements. Gas sorption studies conducted upon the narrow-pore phase of CuSO<sub>4</sub>(1,4-bin)<sub>1.5</sub>, <b>2np</b>, found a high calculated 1:99 selectivity for C<sub>2</sub>H<sub>2</sub> over C<sub>2</sub>H<sub>4</sub> (33.01) and CO<sub>2</sub> (15.18), as well as strong breakthrough performance. Across-the-board, C<sub>3</sub>H<sub>4</sub> selectivity vs C<sub>3</sub>H<sub>6</sub>, CO<sub>2</sub>, and C<sub>3</sub>H<sub>8</sub> was also observed. Sulfate-based PCNs, although still understudied, appear increasingly likely to offer utility in gas and vapor separations. Selectivity ; Chemistry ; Copper ; Alkyne ; Linker ; Sulfate ; Propyne ; Topology (electrical circuits) ; Crystallography ; Inorganic chemistry ; Organic chemistry ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon dioxide utilization in catalysis
Authors: Raphaël Lebeuf | Christian Preischl | Théophile Gaudin | Jean‐Marie Aubry
Source: Colloids and Surfaces A Physicochemical and Engineering Aspects (article, 2024-05-04)
Field: Chemistry — Organic Chemistry

Glycidyl methyl ether: A safer alternative to ethylene oxide for designing ethoxy-free non-ionic surfactants Amphiphile ; Ionic liquid ; Chemistry ; Branching (polymer chemistry) ; Alkoxy group ; Micelle ; Ethylene oxide ; Organic chemistry ; Critical micelle concentration ; Ether ; Amine oxide ; Pulmonary surfactant ; Ionic bonding ; Polymer chemistry ; Alkyl ; Polymer ; Aqueous solution ; Catalysis Surfactants and Colloidal Systems ; Environmental Chemistry and Analysis ; Advanced Polymer Synthesis and Characterization
Authors: Wenxu Zhang | Shen Li | Shuting Liu | Tiantian Wang | Zheng‐Hong Luo | Chao Bian | Yin‐Ning Zhou
Source: JACS Au (article, 2024-09-25)
Field: Chemistry — Organic Chemistry

Photomediated Cationic Ring-Opening Polymerization of Cyclosiloxanes with Temporal Control Precision synthesis of polyorganosiloxanes and temporal control over the polymerization process during ring-opening polymerization (ROP) of cyclosiloxanes remain challenging due to the occurrence of side reactions, e.g., intramolecular transfer (backbiting) and intermolecular chain transfer, and irreversible catalyst transformation. In this study, a merocyanine-based photoacid catalyst is developed for cationic ROP of different cyclosiloxanes. A series of well-defined cyclotrisiloxane polymers with predetermined molar masses and low dispersities (<i>Đ</i> < 1.30) are successfully synthesized under various conditions (i.e., different catalyst loadings, initiator concentrations, solvents, and monomer types). Mechanistic insights by experiments and theoretical calculations suggest that the cationic active species, siloxonium ions, are combined with the catalyst anions to form tight ion pairs, thereby attenuating the reactivity of active species and subsequently minimizing side reactions. An efficient photocatalytic cycle is established among the catalyst, monomer, and polymer chain due to the rapid and reversible isomeric phototransformation of the catalyst, which endows the polymerization process with excellent temporal control. Successful in situ chain extension further confirms the controlled characteristics of photomediated CROP. This as-developed polymerization strategy effectively addresses long-standing challenges in the field of polyorganosiloxane synthesis. Cationic polymerization ; Polymerization ; Polymer chemistry ; Ring-opening polymerization ; Ring (chemistry) ; Chemistry ; Organic chemistry ; Polymer Photopolymerization techniques and applications ; Advanced Polymer Synthesis and Characterization ; Silicone and Siloxane Chemistry
Authors: Wen-Yue Lin | Zhi Huang | Ling Huang | Gang Han
Source: Chemical Physics Reviews (article, 2024-04-01)
Field: Materials Science — Materials Chemistry

Advances in functionalized annihilators to extend triplet–triplet annihilation upconversion performances Triplet–triplet annihilation upconversion (TTA-UC) has made major advances in many emerging fields in recent years, such as solar light harvesting, photocatalysis, biological imaging, and sensing. TTA-UC consists of photosensitizers and annihilators. In addition to acting as emitters, chemical modification of annihilators has expanded their roles to include the formation of organic gel to avoid oxygen-mediated triplet quenching, amplifying the asymmetry factor of circularly polarized luminescence, constructing an upconversion sensor as recognition units, serving as photoremovable protecting groups, and photocatalysts to realize long-wavelength light-driven organic transformations. Here, we will focus on the significant applications of functionalized annihilators other than photoluminescence, which are manifested via chemical modification with other functional units. Finally, we will elaborate on the existent issues with TTA-UC, including challenges in molecular design, material development, and emerging field applications. In accordance with our research experience, we will propose potential solutions. Photon upconversion ; Annihilation ; Materials science ; Physics ; Optoelectronics ; Particle physics ; Doping Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Luminescence Properties of Advanced Materials
Authors: Arun Mondal | Sk Sujauddin | Debasish Mondal | Soumya Kolay | Swarnavo Sarkar | Mijanur Rahaman Molla
Source: Polymer Chemistry (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Reducing agent-triggered templated synthesis of a dynamic covalent poly(disulfide)s nanonetwork: remarkable tuning in noncovalent encapsulation stabilities and cargo release We reported a methodology for the reducing agent mediated poly(disulfide)s nanonetwork formation from lipoic acid based monomer in water as a highly stable potential delivery vehicle for chemotherapeutic applications. Covalent bond ; Disulfide bond ; Encapsulation (networking) ; Chemistry ; Non-covalent interactions ; Nanotechnology ; Combinatorial chemistry ; Polymer chemistry ; Materials science ; Molecule ; Organic chemistry ; Hydrogen bond ; Computer science ; Biochemistry Conducting polymers and applications ; Covalent Organic Framework Applications ; Polymer composites and self-healing
Authors: Soňa Zenzingerová | Jana Navrátilová | Lenka Gajzlerová | Michal Kudláček | David Jaška | Lubomír Beníček | Roman Čermák
Source: eXPRESS Polymer Letters (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Polypropylene blends: Impact of long chain-branched polypropylene on crystallization of linear polypropylene This study compares the efficiency of commercially available sorbitol-based clarifying agent (NA) and varying amounts of long chain-branched polypropylene (LCBPP) acting as a specific -nucleating agent for linear polypropylene (PP).The sorbitol-based clarifying agent, 1,3;2,4-bis(3,4-dimethyl benzylidene)sorbitol (Millad 3988), in concentration 0.2 wt%, and LCBPP in the concentration of 1, 2, 5 and 10 wt% were mixed into PP.The comparison of the effect of NA and long branches under isothermal conditions on the crystallization process, crystallinity and polymorphic composition was realized by differential scanning calorimetry and wide-angle X-ray scattering.The addition of long chain-branched polypropylene, even at the lowest concentration, performs better at higher crystallization temperatures and has a superior effect on the crystallization process, crystallization rate and overall crystallization than the addition of NA. Polypropylene ; Materials science ; Crystallization ; Composite material ; Polymer science ; Chain (unit) ; Polymer chemistry ; Chemical engineering Polymer crystallization and properties ; Material Properties and Processing ; Polymer Nanocomposites and Properties
Authors: Luis Santos Correa | Silas Leidenheimer | Michaël A. R. Meier
Source: Polymer Chemistry (article, 2024-12-26)
Field: Chemistry — Organic Chemistry

Sunflower oil-based thermosets <i>via</i> the Passerini three-component reaction A new and efficient method to prepare renewable and circular thermosets showing possible application as glues, based on the Passerini three component reaction, is described. Tricarboxylic acid ; Component (thermodynamics) ; Sunflower ; Chemistry ; Sunflower oil ; Oleic acid ; Thermosetting polymer ; Organic chemistry ; Biochemistry ; Citric acid cycle ; Biology ; Agronomy ; Enzyme Phosphorus compounds and reactions ; Catalysis for Biomass Conversion ; Polymer composites and self-healing
Authors: Saptami Suresh Shetty | Lavita Nuraviana Rizalputri | Maria G. Trachioti | Saravanan Yuvaraja | Veerappan Mani | Mamas I. Prodromidis | K. Saláma
Source: Surfaces and Interfaces (article, 2024-11-09)
Field: Chemistry — Electrochemistry

Non-destructive integration of spark-discharge produced gold nanoparticles onto laser-scribed graphene electrodes for advanced electrochemical sensing applications Materials science ; SPARK (programming language) ; Colloidal gold ; Graphene ; Electrode ; Nanotechnology ; Nanoparticle ; Electrochemistry ; Laser ; Optoelectronics ; Optics Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Gas Sensing Nanomaterials and Sensors
Authors: S. Ranjbar | Ameneh Bakhtiari | Negin Khosravi | Shima Jafari Ashkavandi | Fariba Azamian | Mahfam Alijaniha | Mojtaba Karbalaee
Source: Journal of Composites and Compounds (article, 2024-09-30)
Field: Materials Science — Materials Chemistry

Silver Nanoparticles: Biomedical Applications and Future Perspectives Silver nanoparticles (AgNPs) have garnered significant attention in the biomedical field due to their unique physicochemical properties and versatile applications. This review explores the remarkable potential of AgNPs in various biomedical applications, including their roles in antimicrobial activity, anticancer therapies, and wound healing. The exceptional properties of AgNPs, such as their high surface area-to-volume ratio and enhanced reactivity, contribute to their effectiveness in combating infections and promoting tissue regeneration. Recent advancements in synthesis methods, including green synthesis approaches, have further enhanced the biocompatibility and efficacy of AgNPs.We discuss synthesis and mechanisms of AgNPs. Additionally, we highlight the challenges associated with the biomedical application of AgNPs. Future perspectives are provided, focusing on optimizing synthesis techniques, improving safety profiles, and exploring novel applications in personalized medicine. This comprehensive overview underscores the transformative role of silver nanoparticles in modern healthcare and their potential to address critical health challenges. Nanotechnology ; Nanoparticle ; Silver nanoparticle ; Materials science Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Yong-Ho Chung | Jung Kwon Oh
Source: Biosensors (review, 2024-11-08)
Field: Materials Science — Materials Chemistry

Research Trends in the Development of Block Copolymer-Based Biosensing Platforms Biosensing technology, which aims to measure and control the signals of biological substances, has recently been developed rapidly due to increasing concerns about health and the environment. Top-down technologies have been used mainly with a focus on reducing the size of biomaterials to the nano-level. However, bottom-up technologies such as self-assembly can provide more opportunities to molecular-level arrangements such as directionality and the shape of biomaterials. In particular, block copolymers (BCPs) and their self-assembly have been significantly explored as an effective means of bottom-up technologies to achieve recent advances in molecular-level fine control and imaging technology. BCPs have been widely used in various biosensing research fields because they can artificially control highly complex nano-scale structures in a directionally controlled manner, and future application research based on interactions with biomolecules according to the development and synthesis of new BCP structures is greatly anticipated. Here, we comprehensively discuss the basic principles of BCPs technology, the current status of their applications in biosensing technology, and their limitations and future prospects. Rather than discussing a specific field in depth, this study comprehensively covers the overall content of BCPs as a biosensing platform, and through this, we hope to increase researchers' understanding of adjacent research fields and provide research inspiration, thereby bringing about great advances in the relevant research fields. Nanotechnology ; Biosensor ; Computer science ; Biochemical engineering ; Materials science ; Engineering Block Copolymer Self-Assembly ; Advanced Polymer Synthesis and Characterization ; Nanoparticle-Based Drug Delivery
Authors: Srinandini Gadamsetti | Govindarao Kamala | Ravi Prakash Degala | V. Lakshmi Prasanna | K Yaswini | A Srilaya
Source: Journal of Pharma Insights and Research. (review, 2024-12-05)
Field: Chemistry — Organic Chemistry

A Review of Synthesis and Therapeutic Applications of Coumarin Derivatives Coumarins (2H-1-benzopyran-2-ones) are heterocyclic compounds widely distributed in plants, fruits, and vegetables, exhibiting significant pharmacological properties. The coumarin scaffold acts as a good template for drug development due to its structural simplicity and broad spectrum of biological activities. Modern synthetic approaches including gold-catalyzed cyclization, rhodium-catalyzed annulation, palladium-mediated coupling, and green chemistry methods have enabled efficient production of structurally diverse coumarin derivatives. The biological significance of coumarins encompasses anti-inflammatory, anticoagulant, antimicrobial, antiviral, and anticancer properties. Natural coumarins such as imperatorin and osthole show therapeutic effects against inflammation, microbial infections, and cancer. Structure-activity relationship studies have led to the development of synthetic derivatives with enhanced pharmacological profiles. The coumarin nucleus allows strategic modifications at multiple positions, resulting in compounds with improved efficacy and reduced toxicity. Recent synthetic methodologies emphasize sustainable protocols and efficient routes to complex coumarin derivatives. Emerging applications include the development of antidiabetic, neuroprotective, and antituberculosis agents. The low toxicity, natural abundance, and synthetic accessibility of coumarins position them as potential entities for drug discovery and development. Coumarin ; Antimicrobial ; Combinatorial chemistry ; Chemistry ; Broad spectrum ; Organic chemistry Chemical synthesis and alkaloids ; Sulfur-Based Synthesis Techniques ; Synthesis and Biological Evaluation
Authors: Fermin Ak | Hanifi Kebiroglu
Source: Yüzüncü Yıl Üniversitesi Fen Bilimleri Enstitüsü Dergisi (article, 2024-08-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Spectroscopic Characterizations and DFT Calculations of Olanzapine: Thermochemistry, HOMO-LUMO, FT-IR, MEP, and Hirshfeld Surface (HS) Analyses Olanzapine (OZ) was investigated quantum chemically using the Density Functional Theory (DFT) approach, and its surface was analyzed spectrochemically. To obtain the optimized structure, which serves as the basis for all other calculations, the LanL2DZ basis set was used. The DFT method has been employed to investigate the analysis of the title compound, specifically focusing on its ground state, which corresponds to the minimum energy state. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy levels of the frontier orbitals were obtained. The energy gap between HOMO and LUMO orbitals was determined to be 3.937 eV. HOMO-LUMO band gap (BG) emphasizes that adequate charge transfer has occurred within the molecule. In this context, Molecular Electrostatic Potential (MEP) surface analysis was investigated, and thermochemical properties of OZ (C17H20N4S-molecular formula) were obtained and reported. The Hirshfeld surfaces including di, de, dnorm, shape index, curvedness, and fragment patch of C17H20N4S were pictured and discussed. Thermochemistry ; Olanzapine ; HOMO/LUMO ; Computational chemistry ; Standard enthalpy of formation ; Chemistry ; Physical chemistry ; Organic chemistry ; Molecule ; Psychology Nonlinear Optical Materials Research ; Chemical Thermodynamics and Molecular Structure ; Crystallography and molecular interactions