jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shakil Ahmed Polash | Arpita Poddar | Farah Ahmady | George Kannourakis | Aparna Jayachandran | Ravi Shukla
Source: ACS Applied Bio Materials (article, 2024-11-05)
Field: Chemistry — Inorganic Chemistry

Impact of Ligand Concentration on the Properties of Nucleic-Acid-Encapsulated MOFs and Inflammation Modulation in Prostate Cancer Cells The zeolitic imidazolate framework (ZIF) is one of the most explored metal-organic-framework-based systems for nucleic acid delivery to cancer cells. Current nucleic acid delivery tools exhibit several drawbacks, such as high manufacturing costs, endosomal entrapment, toxicity, and immunogenicity. However, the biomimetic mineralization of Zn-based ZIFs offers a low-cost and facile encapsulation of nucleic acids at room temperature in aqueous conditions. The efficiency of nucleic acid delivery and its subsequent impact on inflammation in cells are influenced by the physicochemical properties of the material. The imidazole content determines the formation and crystallinity of ZIF, and an optimal ratio ensures the formation of well-defined and highly crystalline structures. In this study, a series of siRNA-encapsulated ZIFs (siRNA@ZIF) were systematically prepared by varying ligand-to-metal (L/M) molar ratios. Our study demonstrates that variations in ligand concentrations influence the crystalline structures, particle size, and shape of siRNA@ZIF particles. At low L/M, two-dimensional siRNA@ZIF particles form with a size of 1 μm. As the L/M ratio increases gradually, the particle size decreases, resulting in three-dimensional particles ∼200 nm in size. We also observed better stability of siRNA@ZIF in water prepared using high L/M values and time-dependent cellular uptake by the cells. Additionally, no significant impact of the biocomposites on inflammation was found, indicating the lack of an unwanted immune response and nonimmunotoxic nature over longer periods (96 h). These findings highlight the necessity of fine-tuning ligand concentrations and synthesis chemistry in designing efficient and optimal ZIF-based systems as versatile delivery platforms for nucleic acids. Nucleic acid ; Prostate cancer ; Inflammation ; Ligand (biochemistry) ; Modulation (music) ; Chemistry ; Cancer research ; Cancer ; Prostate ; Biophysics ; Nanotechnology ; Biochemistry ; Internal medicine ; Medicine ; Materials science ; Biology ; Receptor ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; MicroRNA in disease regulation
Authors: Philipp Haizmann | Eric Juriatti | Maren Klein | Katharina Greulich | Ruslan Ovsyannikov | Erika Giangrisostomi | Thomas Chassé | Heiko Peisert | Marcus Scheele
Source: ACS Applied Electronic Materials (article, 2024-03-30)
Field: Materials Science — Materials Chemistry

Tuning the Interfacial Electronic Structure of MoS <sub>2</sub> by Adsorption of Cobalt Phthalocyanine Derivatives We investigate the interfacial electronic structure of n-type bulk MoS2 upon the adsorption of CoPc and CoPcF16 monolayers and few layers using advanced spectroscopic techniques. These include X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), angle-resolved photoelectron spectroscopy (ARPES), and ultraviolet photoelectron spectroscopy (UPS). Our findings indicate that the adsorption of CoPc enhances the degree of n-doping at the interface with MoS2. In contrast, CoPcF16 acts as an electron acceptor and results in a nearly intrinsic position of the Fermi level of MoS2. Furthermore, we note the formation of an induced gap state near the valence band maximum for monolayer CoPcF16 on MoS2. These observations underscore the potential to fine-tune the interfacial electronic properties of transition metal dichalcogenides through molecular functionalization for application in optoelectronic devices. Phthalocyanine ; Cobalt ; Adsorption ; Materials science ; Chemical engineering ; Nanotechnology ; Chemical physics ; Physical chemistry ; Chemistry ; Metallurgy ; Engineering 2D Materials and Applications ; MXene and MAX Phase Materials ; Chalcogenide Semiconductor Thin Films
Authors: Kyu Min Sim | Jisu Kwon | Jinhyuk Ma | Won Jun Pyo | Dowan Kim | Yun‐Mo Sung | Sang Yong Nam | Taiha Joo | Sungjee Kim | Dae Sung Chung
Source: The Journal of Physical Chemistry C (article, 2024-05-09)
Field: Materials Science — Materials Chemistry

Stoichiometric Engineering of Ag<sub>2</sub>S Nanocrystals to Realize High Performance for Organic–Inorganic Hybrid Photodiodes Organic–inorganic hybrid photodiodes (HPDs) have the potential to revolutionize optoelectronic devices for a brand-new technology. HPDs combining polymeric semiconductors and nanocrystals (NCs) have demonstrated their ability to amplify signals by trapping electrons within ligand-capped NCs. The performance of HPDs is dependent on their ability to capture minority carriers for the continuous tunneling injection of majority carriers. To achieve this, heavy-metal-free Ag2S NCs were synthesized with stoichiometric engineering for HPDs. The surface stoichiometry of the NCs was analyzed using time-resolved photoluminescence and space-charge-limited current analyses and elemental analyses. The fine-tuning of the surface stoichiometry of Ag2S NCs enables high external quantum efficiency (EQE) of the HPDs. The optimized HPDs demonstrated a high peak EQE of 170,000% and specific detectivity of 3 × 1013 Jones. Control of NC stoichiometry is vital for the photophysical properties of sensitizing centers, which guarantees successful applications of HPDs to optoelectronic devices. Stoichiometry ; Photodiode ; Nanocrystal ; Materials science ; Optoelectronics ; Nanotechnology ; Chemical engineering ; Chemistry ; Engineering ; Organic chemistry Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Perovskite Materials and Applications
Authors: Nursu Erdoğan | Didem Şen Karaman | Özlem Kayım Yıldız | Gizem Dilara Özdemir | Utku Kürşat Ercan
Source: Biomedical Materials (article, 2024-01-05)
Field: Materials Science — Biomaterials

Mesoporous silica nanoparticles accommodating electrospun nanofibers as implantable local drug delivery system processed by cold atmospheric plasma and spin coating approaches Nanofibers (NF) and nanoparticles are attractive for drug delivery to improve the drug bioavailability and administration. Easy manipulation of NF as macroscopic bulk material give rise to potential usages as implantable local drug delivery systems (LLDS) to overcome the failures of systemic drug delivery systems such as unmet personalized needs, side effects, suboptimal dosage. In this study, poly(ethylene glycol) polyethyleneimine (mPEG:PEI) copolymer blended poly<i>ϵ</i>-caprolactone NFs, NF<sub>blend</sub>accommodating mesoporous silica nanoparticles (MSN) as the implantable LLDS was achieved by employing spin coating and cold atmospheric plasma (CAP) as the post-process for accommodation on NF<sub>blend</sub>. The macroporous morphology, mechanical properties, wettability, and<i>in vitro</i>cytocompatibility of NF<sub>blend</sub>ensured their potential as an implantable LLDS and superior features compared to neat NF. The electron microscopy images affirmed of NF<sub>blend</sub>random fiber (average diameter 832 ± 321 nm) alignments and accessible macropores before and after MSN@Cur accommodation. The blending of polymers improved the elongation of NF and the tensile strength which is attributed as beneficial for implantable LLDS. CAP treatment could significantly improve the wettability of NF observed by the contact angle changes from ∼126° to ∼50° which is critical for the accommodation of curcumin-loaded MSN (MSN@Cur) and<i>in vitro</i>cytocompatibility of NF. The combined CAP and spin coating as the post-processes was employed for accommodating MSN@Cur on NF<sub>blend</sub>without interfering with the electrospinning process. The post-processing aided fine-tuning of curcumin dosing (∼3 µg to ∼15 µg) per dose unit and sustained zero-order drug release profile could be achieved. Introducing of MSN@Cur to cells via LLDS promoted the cell proliferation compared to MSN@Cur suspension treatments and assigned as the elimination of adverse effects by nanocarriers by the dosage form integration. All in all, NF<sub>blend</sub>-MSN@Cur was shown to have high potential to be employed as an implantable LLDS. To the best of our knowledge, this is the first study in which mPEG:PEI copolymer blend NF are united with CAP and spin coating for accommodating nano-drug carriers, which allows for NF both tissue engineering and drug delivery applications. Materials science ; Drug delivery ; Mesoporous silica ; Nanofiber ; Nanotechnology ; Electrospinning ; Coating ; Nanoparticle ; Mesoporous material ; Ethylene glycol ; Bioavailability ; Chemical engineering ; Wetting ; Polymer ; Composite material ; Chemistry ; Organic chemistry ; Pharmacology Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics ; Surface Modification and Superhydrophobicity
Authors: Cristina Hermosillo‐Abundis | Jessica Andrea Flood-Garibay | Vanesa Ayala‐Nunez | M.A. Mendéz-Rojas
Source: ACS Materials Letters (article, 2024-12-09)
Field: Materials Science — Biomaterials

Immune Cells as Trojan Horses for Cancer Nanotherapy Nanotechnology is a promising strategy in the fight against cancer by leveraging the unique properties of nanomaterials for targeted drug delivery. A significant challenge in this domain is overcoming biological barriers and ensuring precise delivery to tumor sites. Immune cells, inherently adept at navigating the body’s defense systems and homing to tumor sites, present an excellent solution as Trojan horses for cancer nanotherapy. This review explores the utilization of immune cells as carriers or mediators of nanoparticle-based therapeutics. The Trojan horse strategy is presented in the context of nanomedicine and cancer, followed by a discussion of its advantages. Next, the diversity of nanoparticle systems that have shown positive therapeutic outcomes in preclinical studies is explored. The challenges of using immune cells as Trojan horses, such as nanoparticle loading and manipulation, are analyzed. Finally, strategies for fine-tuning nanoparticles to design an effective Trojan horse approach are suggested. By synthesizing current research findings, this review underscores the potential of nanotechnology in combination with immune cells for innovative and effective cancer treatments. Trojan ; Immune system ; Trojan horse ; Cancer ; Medicine ; Immunology ; Computer science ; Computer security ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Phagocytosis and Immune Regulation
Authors: Damiano Ricciarelli | Simona Filice | Gaetano Calogero | Viviana Scuderi | Stefano Boscarino | Valentina Iacono | F. Ruffino | Ioannis Deretzis | Giuseppe Fisicaro | Silvia Scalese | Antonino La Magna
Source: ACS Applied Nano Materials (article, 2024-10-30)
Field: Materials Science — Materials Chemistry

Reduction and Quantum Confinement Effects in Graphene Oxide: Relevance for Electro-optical Applications Graphene oxide offers opportunities in electro-optical applications owing to its tunable absorbance and emission gamut. Particularly, graphene oxide nanosheets (GO-n) prepared via laser reduction represent a peculiar scenario where optical properties are influenced by factors encompassing chemical reduction, pore formation, and quantum confinement. The disentanglement of these in modifying absorbance and photoluminescence spectra is challenging but provides insights for tailoring GO-n optics. We tackle this issue by performing density functional theory simulations. We prepare graphene oxide nanosheets via nanosecond-multipulsed laser reduction and carry out compositional, morphological, and optical characterization. With simulations, we first span across a wide landscape of structures, representing laser-induced reduction and confinement scenarios, and finally, we achieve a quantitative reproduction of absorption spectra, enabling the disentanglement of the mentioned influences. We discover that internal quantum confinement, which intensifies with higher laser energy densities, dominates the optical properties. Specifically, low energy densities promote pore formation, while higher energy densities lead to internal quantum confinement. Our study guides the fine-tuning of graphene oxide nanosheets concerning both material absorption and luminescence. Reduction enhances absorption and photoluminescence in the visible and near-infrared regions, while internal quantum confinement can boost or diminish absorption in the visible spectra, simultaneously boosting photoluminescence in the blue-violet and green ranges. Graphene ; Quantum dot ; Oxide ; Reduction (mathematics) ; Relevance (law) ; Materials science ; Optoelectronics ; Nanotechnology ; Mathematics Graphene research and applications ; 2D Materials and Applications ; Graphene and Nanomaterials Applications
Authors: Leyla R. Valerio | Dominic Shiels | Lauren M. Lopez | Andrew W. Mitchell | Mat­thias Zeller | Suzanne C. Bart | Ellen M. Matson
Source: Inorganic Chemistry (article, 2024-11-20)
Field: Materials Science — Materials Chemistry

Venturing Past Uranium: Synthesis of a Np(IV) Polyoxomolybdate–Alkoxide Sandwich Complex The synthesis of a Np(IV) polyoxomolybdate-alkoxide sandwich complex, (TBA)<sub>2</sub>[Np{Mo<sub>5</sub>O<sub>13</sub>(OMe)<sub>4</sub>NO}<sub>2</sub>] (TBA = tetrabutylammonium), is reported. This compound represents a rare example of a neptunium polyoxometalate cluster isolated outside of water, allowing for characterization of its electrochemical properties in nonaqueous solvents. Complexation of An(IV) cations fine-tunes the redox properties of the cluster, with the observed four reversible reductive events varying slightly both in potential and peak separation depending on the actinide present. The new Np(IV) complex also shows an irreversible event assigned to oxidation of Np(IV) to Np(V). New methodology for facile <sup>17</sup>O enrichment of (TBA)<sub>2</sub>[Mo<sub>5</sub>O<sub>13</sub>(OMe)<sub>4</sub>NO][Na(MeOH)] is presented, which provides a simple pathway to <sup>17</sup>O enriched analogues of the sandwich complexes discussed (Zr(IV), Hf(IV), Th(IV), U(IV), U(V), Np(IV)). <sup>17</sup>O NMR spectroscopy subsequently provides insights into both the nature of metal-oxygen bonding, as well as the influence of unpaired f-electrons on the local environment of the oxygen nuclei. Chemistry ; Polyoxometalate ; Alkoxide ; Unpaired electron ; Actinide ; Uranium ; Cluster (spacecraft) ; Inorganic chemistry ; Redox ; Nuclear magnetic resonance spectroscopy ; Neptunium ; Electrochemistry ; Crystallography ; Molecule ; Stereochemistry ; Physical chemistry ; Organic chemistry ; Catalysis Polyoxometalates: Synthesis and Applications ; Radioactive element chemistry and processing ; Lanthanide and Transition Metal Complexes
Authors: Osman Furkan Yılmaz | Mesut Kırca
Source: Computational Materials Science (article, 2024-11-18)
Field: Materials Science — Materials Chemistry

Mechanical tuning of three-dimensional graphene network materials through geometric hybridization Graphene ; Materials science ; Nanotechnology Graphene research and applications ; Additive Manufacturing and 3D Printing Technologies ; Graphene and Nanomaterials Applications
Authors: Reshma Kumari | Marilyn Daisy Milton
Source: Journal of Molecular Structure (article, 2024-04-01)
Field: Materials Science — Materials Chemistry

Synthesis of multi-stimuli-responsive solid-state red-emitting phenothiazine-based A-π-D-π-A' derivatives and their applications Phenothiazine ; Solid-state ; Combinatorial chemistry ; Computer science ; Chemistry ; Materials science ; Pharmacology ; Biology ; Physical chemistry Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Fawad Khan | Iftikhar Ahmad | B. Amin | M. Ilyas | Sheraz | Sidra Khalid | Misbah Fatima | Abdullah Abdullah
Source: Applied Physics A (article, 2024-05-31)
Field: Materials Science — Materials Chemistry

Density functional theory-based strain engineering of electronic optical and thermoelectric properties of A2OX (A = Ga, in and X = S, Se) monolayers Density functional theory ; Monolayer ; Thermoelectric effect ; Materials science ; Strain engineering ; Strain (injury) ; Condensed matter physics ; Engineering physics ; Nanotechnology ; Optoelectronics ; Computational chemistry ; Thermodynamics ; Physics ; Chemistry 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Advanced Thermoelectric Materials and Devices
Authors: Nina F. Farac | Alan J. Lough | Timothy P. Bender
Source: Precision Chemistry (article, 2024-04-04)
Field: Materials Science — Materials Chemistry

Bulking Up the Bay-Position Substituents Enables Enhanced Selectivity of <i>C</i><sub><i>s</i></sub>-Symmetric Boron Subphthalocyanine–Subnaphthalocyanine Hybrids The precise synthesis of subporphyrinoid hybrids with π-expanded topologies and unique material properties plays a promising role in the design of functional macrocycles. Easy, selective, and controllable routes to boron subphthalocyanine-subnaphthalocyanine hybrids, Bsub(Pc<sub>3-<i>p</i></sub>-Nc<sub><i>p</i></sub>)s, are desirable for this purpose yet synthetically challenging due to random mixtures of <i>C</i><sub><i>s</i></sub>-, <i>C</i><sub>3<i>v</i></sub>-, and, in some cases, <i>C</i><sub>1</sub>-symmetric compounds that form during traditional statistical mixed cyclotrimerizations. Herein, we addressed this issue by developing a sterically driven mixed cyclotrimerization with enhanced selectivity for the targeted <i>C</i><sub><i>s</i></sub>-symmetric hybrid and complete suppression of sterically crowded macrocyclic byproducts. This process, coupled with a rationally designed precursor bearing bulky phenyl substituents, enabled the synthesis and characterization of bay-position phenylated <i>Ph</i><sub>2</sub>-(R<sub>p</sub>)<sub>8</sub>Bsub(Pc<sub>2</sub>-Nc<sub>1</sub>) hybrids with halogens (R<sub>p</sub> = Cl or F) in their peripheral isoindole rings. Reaction selectivity ranged between 59 and 72% with remarkable yields, significantly higher than that of conventional mixed cyclotrimerizations. These findings were augmented by theoretical calculations on precursor Lewis basicity as guiding principles into hybrid macrocycle formation. Additionally, the incorporation of unfused phenyl groups and halogen atoms into the hybrid framework resulted in fine-tuned optical, structural, electronic, and electrochemical properties. This straightforward approach achieved improved selectivity and controlled narrowing of the product distribution, affording the efficient synthesis of structurally sophisticated Bsub(Pc<sub>2</sub>-Nc<sub>1</sub>) hybrids. This then expands the library of 3-dimensional π-extended macrocycles for use in a range of applications, such as in optoelectronic devices with precisely tailored optical properties. Steric effects ; Selectivity ; Halogen ; Boron ; Chemistry ; Combinatorial chemistry ; Hybrid ; Stereochemistry ; Organic chemistry ; Catalysis Porphyrin and Phthalocyanine Chemistry ; Metal-Catalyzed Oxygenation Mechanisms ; Porphyrin Metabolism and Disorders
Authors: Asma M. Elsharif | Ahmed H. Elged | Eman A. Ghiaty | Samy M. Shaban
Source: Journal of Molecular Liquids (article, 2024-11-20)
Field: Chemistry — Organic Chemistry

Gemini surfactant-engineered di-Schiff bases: Tailoring hydrophobicity to enhance catalytic and biological activities Pulmonary surfactant ; Catalysis ; Chemistry ; Schiff base ; Chemical engineering ; Combinatorial chemistry ; Organic chemistry ; Polymer chemistry ; Biochemistry ; Engineering Surfactants and Colloidal Systems ; Molecular Sensors and Ion Detection ; Porphyrin and Phthalocyanine Chemistry
Authors: Valeria Demontis | Domenic Prete | Enver Faella | Filippo Giubileo | Valentina Zannier | O. Durante | Lucia Sorba | Antonio Di Bartolomeo | Francesco Rossella
Source: Nano Express (article, 2024-07-30)
Field: Materials Science — Materials Chemistry

Persistent polarization effects and memory properties in ionic-liquid gated InAs nanowire transistors Abstract Iontronics exploits mobile ions within electrolytes to control the electronic properties of materials and devices' electrical and optical response. In this frame, ionic liquids are widely exploited for the gating of semiconducting nanostructure devices, offering superior performance compared to conventional dielectric gating. In this work, we engineer ionic liquid gated InAs nanowire-based field effect transistors and adopt the set-and-freeze dual gate device operation to probe the nanowires in several ionic gate regimes. We exploit standard back-gating at 150 K, when the ionic liquid is frozen and any crosstalk between the ionic gate and the back gate is ruled out. We demonstrate that the liquid gate polarization has a persistent effect on the nanowire properties. This effect can be conveniently exploited to fine-tune the properties of the nanowires and enable new device functionalities. Specifically, we correlate the modification of the ionic environment around the nanowire to the transistor threshold voltage and hysteresis, on/off ratio and current level retention times. Based on this, we demonstrate memory operations of the nanowire field effect transistors. Our work shines a new light on the interaction between electrolytes and semiconducting nanostructures, providing useful insights for future applications of nanodevice iontronics. Nanowire ; Materials science ; Optoelectronics ; Transistor ; Ionic bonding ; Field-effect transistor ; Nanotechnology ; Gate dielectric ; Gating ; Ionic liquid ; Polarization (electrochemistry) ; Dielectric ; Electrolyte ; Ion ; Voltage ; Electrical engineering ; Electrode ; Chemistry Electronic and Structural Properties of Oxides ; Advanced Memory and Neural Computing ; Semiconductor materials and devices
Authors: Xiaojuan Tian | Yue‐Ting Zhou | Shenghu Ding | Lihua Wang
Source: International Journal of Solids and Structures (article, 2024-10-03)
Field: Materials Science — Materials Chemistry

Exploring the effects of finite size and indenter shape on the contact behavior of functionally graded thermoelectric materials Materials science ; Thermoelectric effect ; Finite element method ; Composite material ; Structural engineering ; Engineering ; Physics ; Thermodynamics Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Adhesion, Friction, and Surface Interactions