jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lena Zeroug-Metz | Mohamed A. M. Kamal | Justine Bassil | Kalanika Elamaldeniya | Bo Hyun Ryu | Eric Buhler | Sangeun Lee
Source: RSC Applied Polymers (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Fluorescent histidine-derived biodynamers as biocompatible and highly water-soluble copper( <scp>ii</scp> )-sensors Cu( ii )-selective and sensitive, biocompatible histidine-derived biodynamers (HisBD) integrate DCC and imidazoles for rapid fluorescence-based Cu( ii ) detection, enabling efficient and reversible ion-recognition under physiological conditions. Biocompatible material ; Histidine ; Fluorescence ; Copper ; Chemistry ; Biosensor ; Water soluble ; Combinatorial chemistry ; Biophysics ; Biochemistry ; Organic chemistry ; Amino acid ; Biology ; Biomedical engineering ; Physics Molecular Sensors and Ion Detection ; Electrochemical Analysis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Reema Chand | M.F. Ahmed | Bibhesh K. Singh
Source: Journal of Advanced Chemical Sciences (article, 2024-11-24)
Field: Chemistry — Organic Chemistry

A Review: Recent Advances in Chemistry and Applications of 2,4-Dihydroxybenzaldehyde Oxime and Its Transition Metal Complexes This review presents a comprehensive overview of the recent advances in the chemistry and applications of 2,4-dihydroxybenzaldehyde oxime (DHBO) and its transition metal complexes. DHBO, characterized by its unique hydroxyl and oxime functional groups, has gained significant attention due to its versatile reactivity and potential applications across various fields, including pharmaceuticals, catalysis, and environmental science. Recent synthetic methodologies, including microwave-assisted techniques and green chemistry approaches, have improved the efficiency and sustainability of DHBO production. The formation of transition metal complexes with DHBO has been a focal point of research, revealing enhanced catalytic properties and biological activities compared to the free ligand. These complexes have shown promise in organic synthesis, particularly in oxidation and reduction reactions, as well as in drug development, exhibiting antimicrobial and anticancer properties. Furthermore, the potential of DHBO and its metal complexes in environmental remediation, particularly in removing heavy metals and pollutants, underscores their significance in addressing contemporary environmental challenges. This review also provides current knowledge on the synthesis, characterization, and applications of DHBO and its transition metal complexes, highlighting their importance in both academic research and industrial applications. By elucidating the multifaceted roles of DHBO, this work aims to pave the way for future research and innovation in this promising area of study. Oxime ; Transition metal ; Chemistry ; Organic chemistry ; Computational chemistry ; Catalysis Chemical Synthesis and Reactions ; Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles
Authors: Wenxiu Wu | Wenzheng Liu | Yingying Jing | Zhao Wang | Yurong Guo | Jimmy H. Ni | Xing Gao | Wensi Li | Jibin Song
Source: Nano Research (article, 2024-12-16)
Field: Materials Science — Materials Chemistry

Research status and prospects of covalent organic frameworks in the antibacterial field Covalent organic frameworks (COFs), as an emerging class of crystalline porous polymeric material, process large surface area, ordered pore structure, good biocompatibility, excellent chemical stability, and low toxicity, making it an excellent candidate for nanotherapeutics. In this article, the recent research progress of COFs was reviewed in the antibacterial field. We introduced the antibacterial potential of COF materials themselves, covering framework structures and pore chemistry. Moreover, the synergistic antibacterial effects of COF composites were discussed, which were formed by the combination of COF with other nanomaterials. In addition, the excellent performances of COFs as nanozymes were investigated in antibacterial applications. Currently, COF-based high-efficiency antibacterial agents face great challenges and prospects in practical applications. The review will provide new COF-based methods for resolving drug-resistant bacterial issues. Covalent bond ; Nanotechnology ; Field (mathematics) ; Chemistry ; Materials science ; Organic chemistry ; Mathematics Covalent Organic Framework Applications ; Chemical Synthesis and Reactions ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Patience Ndidi Ike | Stephen Ehilenomen Aifuwa | Stephanie Blessing Nnabueze | Jennifer Olatunde-Thorpe | Ejielo Ogbuefi | Theophilus Onyekachukwu Oshoba | David Akokodaripon
Source: International Journal of Advanced Multidisciplinary Research and Studies (article, 2024-08-30)
Field: Materials Science — Materials Chemistry

Utilizing Nanomaterials in Healthcare Supply Chain Management for Improved Drug Delivery Systems This review paper explores the transformative potential of nanomaterials in healthcare supply chain management and drug delivery systems. It delves into the historical evolution of drug delivery mechanisms and the emergence of nanotechnology as a pivotal innovation. The paper categorizes various nanomaterials, elucidating their mechanisms of action, including enhanced targeting and controlled release, which surpass the capabilities of traditional drug delivery systems. It critically analyzes the impact of nanomaterials on healthcare supply chain efficiency, regulatory and ethical considerations, sustainability, and cost-effectiveness. The paper identifies barriers to implementation and proposes future research directions to navigate these challenges. Ultimately, it underscores the significance of nanomaterials in advancing healthcare delivery, promising improved patient outcomes and system efficiency. Supply chain ; Drug delivery ; Transformative learning ; Health care ; Healthcare delivery ; Targeted drug delivery ; Supply chain management Nanoparticles: synthesis and applications ; Molecular Communication and Nanonetworks ; Pharmaceutical Economics and Policy
Authors: Zill‐e‐Huma Aftab | Syed M. Bukhari | Muhammad Abubakar | Hafiz Muhammad Sultan | Muhammad Zubair | Maysoon Ahmed Abou El Niaaj
Source: Journal of Clinical and Nursing Research (article, 2024-11-26)
Field: Materials Science — Biomaterials

Innovative Nanoparticle Synthesis and Multifaceted Applications in Medicine and Cancer Therapy Nanotechnology has far-reaching implications and applications in multiple fields. The biomedical and health sectors can use nanotechnology concepts for medication delivery and treatment. Under controlled conditions, it can target and initiate administering drugs and several other therapeutic agents. Since cancer is the largest cause of death worldwide, prompt diagnosis and effective anticancer treatments are crucial. In this particular context, nanotechnology reduces side effects and directs drug delivery to specifically target cancer cells, providing unique benefits for cancer therapy. In the present thorough review, the most noteworthy new findings for 2010–2023 were compiled, which address the development and use of nanosystems for cancer treatment. Nanoparticles allow precise and controlled release of therapeutic substances at specific action locations, enabling targeted medication delivery. Size, shape, surface, charge, and loading methods impact its efficiency. Researchers have made advancements in encapsulating drugs into nanoliposomes and nanoemulsions, including paclitaxel and fisetin, and are currently testing their suitability in ongoing clinical trials. The purpose of this review is to serve as a continuous path toward recognizing the extraordinary potential of various nanoparticles in cancer therapies. Cancer therapy ; Nanotechnology ; Cancer Medicine ; Cancer ; Nanoparticle ; Medicine ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; Cancer Research and Treatment
Authors: Keke Pei | Sen Li | Biwen Cao | Mingcun Wang | Mingjie Liu
Source: ACS Omega (article, 2024-06-02)
Field: Materials Science — Materials Chemistry

Catalytic Thermocuring and Synergistic Photothermocuring of Single-Component Acrylate-Grafted Liquid Oligosilazanes A novel thermosetting preceramic resin called acrylate-grafted liquid polysilazane (ALSZ) was readily synthesized. The curing behaviors of ALSZ were investigated by the techniques of differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and rheological tests. The catalytic thermocuring process was controlled by the addition of a polymerization accelerator composed of a radical initiator (cumene hydroperoxide) and a transition metal catalyst (nickel naphthenate or cobalt naphthenate). Photocuring at room temperature can proceed readily by the addition of photosensitizer 819 (phenylbis(2,4,6-trimethylbenzoyl) phosphine oxide). By combining a radical initiator, a transition metal catalyst, and a photosensitizer, synergistic photothermocuring was achieved, demonstrating advantages such as material shaping at room temperature and low weight loss during curing. The ceramization of the solidified ceramic precursors in an Ar atmosphere was studied using TGA and tube furnace pyrolysis. ALSZs exhibited comparatively high ceramic transformation yields (71-75% at 800 °C). The resulting pyrolytic ceramics maintained their original shape without deformation or foaming expansion. Polysilazanes containing acrylate groups can directly form casting bodies, showing a high static glass transition temperature (>380 °C) by thermomechanical analysis (TMA). FT-IR analyses revealed that multiple reactions are involved in the curing of ALSZ. The results in this paper showed that ALSZ might find prospective applications in material processing, such as additive manufacturing and ceramic-matrix composites. Component (thermodynamics) ; Catalysis ; Acrylate ; Chemistry ; Polymer chemistry ; Chemical engineering ; Organic chemistry ; Copolymer ; Polymer ; Engineering ; Physics ; Thermodynamics Silicone and Siloxane Chemistry ; Gas Sensing Nanomaterials and Sensors ; Photopolymerization techniques and applications
Authors: Sourav Khawas
Source: Revista Electronica de Veterinaria (review, 2024-09-03)
Field: Materials Science — Biomaterials

Innovations In Nanocarrier Technology For Targeted Therapeutics: A Comprehensive Review Recent advancements in medication delivery systems have brought nanocarriers to the forefront as a groundbreaking technology. Nanocarriers, ranging from 1 to 100 nanometers in size, have revolutionized the targeted delivery of therapeutic agents, such as drugs, genes, and proteins, to specific cells or tissues. This precision addresses one of modern medicine's most significant challenges: optimizing therapeutic efficacy while minimizing adverse effects. Traditional drug delivery methods often struggle with issues like low solubility, rapid degradation, and non-specific distribution, leading to suboptimal treatment outcomes and undesirable side effects. In contrast, nanocarriers offer unparalleled advantages due to their small size and customizable surface properties, enabling them to navigate complex biological environments and selectively interact with target cells. This targeted approach is particularly beneficial in cancer treatment, where precise delivery to tumor cells can significantly enhance treatment effectiveness and reduce harm to healthy tissues. Additionally, nanocarriers can be engineered to release their therapeutic payloads in response to specific biological triggers, further improving their therapeutic potential. As science and technology continue to evolve, the role of nanocarriers in targeted drug delivery is increasingly vital. Their ability to enhance drug solubility, regulate release patterns, and improve targeting precision marks a significant advancement in the pursuit of safer and more effective treatments. Nanocarriers, including nanoparticles, liposomes, carbon nanotubes, niosomes, dendrimers, and polymeric nanoparticles, offer enhanced bioavailability, stability, and organ-specific targeting, making them a superior alternative to conventional therapies, particularly for poorly soluble drugs Nanocarriers ; Nanotechnology ; Medicine ; Materials science ; Drug delivery Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications
Authors: Neus Vilà | Linh T. T. Nguyen | Jean Lacroix | Xiaonan Sun | Alain Walcarius | Israël M. Mbomekallé
Source: ACS Applied Materials & Interfaces (article, 2024-05-07)
Field: Materials Science — Materials Chemistry

Assessing the Influence of Confinement on the Stability of Polyoxometalate-Functionalized Surfaces: A Soft Sequential Immobilization Approach for Electrochromic Devices A functionalization process has been developed and the experimental conditions optimized allowing the immobilization of first-row transition metal (M<sup><i>n</i>+</sup>) containing polyoxometalates (POMs) with the formula [M(H<sub>2</sub>O)P<sub>2</sub>W<sub>17</sub>O<sub>61</sub>]<sup>(10-<i>n</i>)-</sup> on transparent indium-tin oxide (ITO) electrodes for electrochromic applications. Both flat ITO grafted with 4-sulfophenyl moieties and sulfonate-functionalized vertically oriented silica films on ITO have been used as electrode supports to evaluate possible confinement effects provided by the mesoporous matrix on the stability of the modified surfaces and their electrochromic properties. Functionalization involved a two-step sequential process: (i) the immobilization of hexaaqua metallic ions, such as Fe(H<sub>2</sub>O)<sub>6</sub><sup>3+</sup>, onto the sulfonate-functionalized materials achieved through hydrogen bonding interactions between the sulfonate functions and aqua ligands (water molecules) coordinated to the metallic ions facilitating and stabilizing the attachment of the metallic ions to the sulfonated surfaces; (ii) their coordination to [P<sub>2</sub>W<sub>17</sub>O<sub>61</sub>]<sup>10-</sup> species to generate "<i>in situ</i>" the target [Fe(H<sub>2</sub>O)P<sub>2</sub>W<sub>17</sub>O<sub>61</sub>]<sup>7-</sup> moieties. Comparison of the characterized surfaces clearly evidenced a significant improvement in the long-term stability of the nanostructured [Fe(H<sub>2</sub>O)P<sub>2</sub>W<sub>17</sub>O<sub>61</sub>]<sup>7-</sup>-functionalized silica films compared to the less constrained flat [Fe(H<sub>2</sub>O)P<sub>2</sub>W<sub>17</sub>O<sub>61</sub>]<sup>7-</sup>-modified ITO electrodes for which a rapid loss of [P<sub>2</sub>W<sub>17</sub>O<sub>61</sub>]<sup>10-</sup> species was observed. Concordantly, the [Fe(H<sub>2</sub>O)P<sub>2</sub>W<sub>17</sub>O<sub>61</sub>]<sup>7-</sup> POM confined in the mesoporous films coated on ITO gave rise to much better and stable electrochromic properties, with a transmittance modulation of 40% at 515 nm. Electrochromism ; Materials science ; Surface modification ; Polyoxometalate ; Electrode ; Sulfonate ; Mesoporous material ; Electrochromic devices ; Electrochemistry ; Metal ; Nanotechnology ; Indium tin oxide ; Mesoporous silica ; Chemical engineering ; Thin film ; Organic chemistry ; Catalysis ; Chemistry ; Physical chemistry ; Sodium Polyoxometalates: Synthesis and Applications ; Conducting polymers and applications ; Transition Metal Oxide Nanomaterials
Authors: Suraj Kumar Sahoo | Brent Harfmann | Himanshu Bhatia | Harish Singh | Srikanth Balijapelly | Amitava Choudhury | Pericles Stavropoulos
Source: ACS Omega (article, 2024-03-21)
Field: Chemistry — Organic Chemistry

A Comparative Study of Cationic Copper(I) Reagents Supported by Bipodal Tetramethylguanidinyl-Containing Ligands as Nitrene-Transfer Catalysts The bipodal compounds [(TMG<sub>2</sub>biphen<sup>N-R</sup>)Cu<sup>I</sup>-NCMe](PF<sub>6</sub>) (R = Me, Ar (4-CF<sub>3</sub>Ph-)) and [(TMG<sub>2</sub>biphen<sup>N-Me</sup>)Cu<sup>I</sup>-I] have been synthesized with ligands that feature a diarylmethyl- and triaryl-amine framework and superbasic tetramethylguanidinyl residues (TMG). The cationic Cu(I) sites mediate catalytic nitrene-transfer reactions between the imidoiodinane PhI = NTs (Ts = tosyl) and a panel of styrenes in MeCN, to afford aziridines, demonstrating comparable reactivity profiles. The copper reagents have been further explored to execute C-H amination reactions with a variety of aliphatic and aromatic hydrocarbons and two distinct nitrene sources PhI = NTs and PhI = NTces (Tces = 2,2,2-trichloroethylsulfamate) in benzene/HFIP (10:2 v/v). Good yields have been obtained for sec-benzylic and tert-C-H bonds of various substrates, especially with the more electron-deficient catalyst [(TMG<sub>2</sub>biphen<sup>N-Ar</sup>)Cu<sup>I</sup>-NCMe](PF<sub>6</sub>). In conjunction with earlier studies, the order of reactivity of these bipodal cationic reagents as a function of the metal employed is established as Cu > Fe > Co ≥ Mn. However, as opposed to the base-metal analogues, the bipodal Cu reagents are less reactive than a similar tripodal Cu catalyst. The observed fluorophilicity of the bipodal Cu compounds may provide a deactivation pathway. Nitrene ; Cationic polymerization ; Chemistry ; Catalysis ; Reactivity (psychology) ; Reagent ; Amination ; Medicinal chemistry ; Polymer chemistry ; Hydroamination ; Amine gas treating ; Copper ; Photochemistry ; Organic chemistry Synthesis and Catalytic Reactions ; Catalytic C–H Functionalization Methods ; Cyclopropane Reaction Mechanisms
Authors: Shengbo Xu | Ruijie Mi | Guangfan Zheng | Xingwei Li
Source: Chemical Science (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C–H activation and formal phosphoryl migration A highly stereo- and chemoselective intermolecular coupling of diverse heterocycles with dialkynylphosphine oxides has been realized <i>via</i> cobalt/rhodium-catalyzed C-H bond activation. This protocol provides an efficient synthetic entry to functionalized 1,2-dihydrophosphete oxides in excellent yields <i>via</i> the merger of C-H bond activation and formal 1,2-migration of the phosphoryl group. Compared with traditional methods of synthesis of 1,2-dihydrophosphetes that predominantly relied on stoichiometric metal reagents, this catalytic system features high efficiency, a relatively short reaction time, atom-economy, and operational simplicity. Photophysical properties of selected 1,2-dihydrophosphete oxides are also disclosed. Rhodium ; Cobalt ; Catalysis ; Formal synthesis ; Chemistry ; Stereochemistry ; Organic chemistry Organophosphorus compounds synthesis ; Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods
Authors: Abdallah F. Al-burgus | Omar T. Ali | Omar Y. Al-Abbasy
Source: Chimica Techno Acta (article, 2024-08-08)
Field: Chemistry — Organic Chemistry

New spiro-heterocyclic coumarin derivatives as antibacterial agents: design, synthesis and molecular docking Coumarin derivatives were synthesized herein from 3-acetyl coumarin and 4-(pyrimidin-2-yldiazenyl) antipyrine, leading to the azo chalcone intermediate compound. The final spiro-heterocyclic coumarins were produced through the cyclization of the azo-chalcone with thiourea, guanidine hydrochloride, benzene-1,2-diamine, 2-aminophenol, and hydroxylamine hydrochloride, respectively. The obtained target compounds were purified by column chromatography and characterized by FT-IR, 1H NMR, 13C-NMR and elemental analysis. The antibacterial activity of the synthesized compounds was evaluated in vitro against Gram-negative and Gram-positive bacteria. One of the compounds showed significant antibacterial activity. Furthermore, the docking study of this compound with DNA gyrase for E. coli and S. aureus bacterial strains was investigated, which revealed vital interactions and binding. Coumarin ; Combinatorial chemistry ; Docking (animal) ; Chemistry ; Stereochemistry ; Organic chemistry ; Medicine Synthesis and biological activity ; Synthesis and Biological Evaluation ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Minqi Fu | Jiayu Dai | Jingtao Xu | Anders Ø. Madsen | Jukka Rantanen
Source: International Journal of Pharmaceutics (article, 2024-12-17)
Field: Chemistry — Physical and Theoretical Chemistry

Exploring the hydrate landscape using data mining on the Cambridge structural database (CSD) With the continued relevance of drug hydrates in pharmaceutical sciences, a comprehensive understanding of hydrate and anhydrate forms is essential, not only through individual case studies but also from a broader, systematic perspective. The Cambridge Structural Database (CSD) is a well-established database for crystal structures of organic molecules and here, the structural features of pharmaceutically relevant compounds forming hydrates were explored. Drug anhydrate and hydrate subsets were generated and further classified into separate anhydrate and hydrate sets for free drug, cocrystal/solvate, salt, multicomponent cocrystal/solvate, and salt cocrystal/solvate systems. A thorough understanding of these sets was documented at molecular and structural levels. The CSD drug subset contains 24% of entries as hydrates and 76% as anhydrates. Only 6% of anhydrates have corresponding hydrate forms in the CSD drug subset. The formation of hydrates seems to be still less documented in multicomponent drug hydrates, as well as polymorphism of hydrates is less explored for these increasingly complicated systems with a high number of components. The presence of water molecules or additional components does not necessarily lead to a higher degree of crystal packing. Water is involved in 44% of hydrogen bonds (H-bond) in drug hydrate set, where water prefers to act as H-bond donor. H-bonds formed only by water show a relatively high bond strength. This work demonstrates the potential of data science in analyzing pharmaceutically relevant databases to uncover hidden patterns, and more specifically utilizing the CSD for understanding structural aspects and the role of water in H-bond patterns in drug hydrates. Cocrystal ; Hydrate ; Hydrogen bond ; Chemistry ; Molecule ; Crystal engineering ; Salt (chemistry) ; Polymorphism (computer science) ; Crystal structure ; Crystallography ; Database ; Combinatorial chemistry ; Organic chemistry ; Computer science Crystallography and molecular interactions ; Computational Drug Discovery Methods ; Crystallization and Solubility Studies
Authors: Katelyn Mathis | Saanvi Gaddam | Rishi Koneru | Nikhil Sunkavalli | Catherine Wang | M. G. Patel | Afia Ibnat Kohon | Brian Meckes
Source: Cell Reports Physical Science (article, 2024-04-04)
Field: Materials Science — Materials Chemistry

Multifunctional hydrogels with spatially controlled light activation with photocaged oligonucleotides Recreating tissue environments with precise control over mechanical, biochemical, and cellular organization is essential for next-generation tissue models for drug discovery, development studies, and the replication of disease environments. However, controlling these properties at cell-scale lengths remains challenging. Here, we report the development of printing approaches that leverage polyethylene glycol diacrylate (PEGDA) hydrogels containing photocaged oligonucleotides to spatially program material characteristics with non-destructive, non-ultraviolet light. We further integrate this system with a perfusion chamber to allow us to alter the composition of PEGDA hydrogels while retaining common light-activatable photocaged DNAs. We demonstrate that the hydrogels can capture DNA functionalized materials, including cells coated with complementary oligonucleotides with spatial control using biocompatible wavelengths. Overall, these materials open pathways to orthogonal capture of any DNA functionalized materials while not changing the sequences of the DNA. Self-healing hydrogels ; Oligonucleotide ; Biophysics ; Chemistry ; Materials science ; DNA ; Biochemistry ; Polymer chemistry ; Biology Photochromic and Fluorescence Chemistry ; Supramolecular Self-Assembly in Materials ; Electrowetting and Microfluidic Technologies