jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Aneta Pospíšilová | Juraj Vodička | Monika Trudičová | Zuzana Juglova | Jiří­ Smilek | Přemysl Menčík | Jiří Másilko | Eva Slaninová | Veronika Melčová | Michal Kalina | Stanislav Obruča | Petr Sedláček
Source: Preprints.org (preprint, 2022-04-28)
Field: Materials Science — Biomaterials

Production of Various Monomer-Ratio Biodegradable Poly(3-hydroxybutyrate-&lt;em&gt;co&lt;/em&gt;-4-hydroxybutyrate) Films for Wide Range of Applications Films prepared from poly(3-hydroxybutyrate-co-4-hydroxybutyrate) copolymers produced by Aneurinibacillus sp. H1 using an automatic film applicator were homogeneous and had a defined thickness, which allowed a detailed study of physicochemical properties. Their properties were compared with a poly (3-hydroxybutyrate) homopolymer film prepared by the same procedure, which proved to be significantly more crystalline by DSC and XRD. Structural differences between samples had a major impact on their properties. With increasing 4-hydroxybutyrate content, the ductility and release rate of the model hydrophilic active ingredient increased significantly. Other observed properties, such as the release of the hydrophobic active substance, the contact angle with water and ethylene glycol, or the surface morphology and roughness, were also affected by the composition. The identified properties predetermine these copolymers for wide use in areas such as biomedicine or smart biodegradable packaging for food or cosmetics. The big advantage is the possibility of fine-tuning properties simply by changing the fermentation conditions. Materials science ; Contact angle ; Chemical engineering ; Ethylene glycol ; Copolymer ; Monomer ; Poly-3-hydroxybutyrate ; Morphology (biology) ; Surface roughness ; Homogeneous ; Polymer chemistry ; Composite material ; Polymer biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Carbon dioxide utilization in catalysis
Authors: Debabrata Patra
Source: Scholarworks (University of Massachusetts Amherst) (article, 2022-11-30)
Field: Materials Science — Materials Chemistry

Colloidal Microcapsules: Surface Engineering of Nanoparticles for Interfacial Assembly Colloidal Microcapsules (MCs), i.e. capsules stabilized by nano-/microparticle shells are highly modular inherently multi-scale constructs with applications in many areas of material and biological sciences e.g. drug delivery, encapsulation and microreactors. These MCs are fabricated by stabilizing emulsions via self-assembly of colloidal micro/nanoparticles at liquid-liquid interface. In these systems, colloidal particles serve as modular building blocks, allowing incorporation of the particle properties into the functional capabilities of the MCs. As an example, nanoparticles (NPs) can serve as appropriate antennae to induce response by external triggers (e.g. magnetic fields or laser) for controlled release of encapsulated materials. Additionally, the dynamic nature of the colloidal assembly at liquid-liquid interfaces result defects free organized nanostructures with unique electronic, magnetic and optical properties which can be tuned by their dimension and cooperative interactions. The physical properties of colloidal microcapsules such as permeability, mechanical strength, and biocompatibility can be precisely controlled through the proper choice of colloids and preparation conditions for their This thesis illustrates the fabrication of stable and robust MCs through via chemical crosslinking of the surface engineered NPs at oil-water interface. The chemical crosslinking assists NPs to form a stable 2-D network structure at the emulsion interface, imparting robustness to the emulsions. In brief, we developed the strategies for altering the nature of chemical interaction between NPs at the emulsion interface and investigated their role during the self-assembly process. Recently, we have fabricated stable colloidal microcapsule (MCs) using covalent, dative as well as non-covalent interactions and demonstrated their potential applications including encapsulation, size selective release, functional devices and biocatalysts. Nanoparticle ; Nanotechnology ; Colloid ; Colloidal particle ; Materials science ; Chemical engineering ; Engineering Pickering emulsions and particle stabilization
Authors: Laura‐Alice Jantke | Antti J. Karttunen | Thomas F. Fässler
Source: Zeitschrift für anorganische und allgemeine Chemie (article, 2022-11-25)
Field: Chemistry — Inorganic Chemistry

Structural characteristics of mixed <i>nido</i>‐[Si<sub>9−<i>x</i></sub>Ge<sub><i>x</i></sub>]<sup>4−</sup> (<i>x</i>=1, 2) Zintl clusters in solution and within solvent crystals Abstract Mixed Zintl‐type anionic clusters of silicon and germanium comprise an important class of potential materials in electronic applications. Herein, we present quantum chemical investigations to describe the mixing behavior of Si and Ge within [Si 9− x Ge x ] 4− ( x =0, 1, 2) Zintl anions that can be considered as precursors for novel Si−Ge materials. To understand the mixing behavior of such clusters in solution, we analyze the molecular clusters at using Density Functional Theory (DFT) and Coupled Cluster methods. Systematic assessment of relative energies of various structural isomers indicates that there is a preference to substitute Si with Ge in the open square of the monocapped square antiprismatic [Si 8 Ge] 4− and [Si 7 Ge 2 ] 4− clusters. Population analysis reveals that the highest negative partial charge is also located at these positions. Investigation of Rb 4 Si 9− x Ge x (NH 3 ) 5 solvent crystals using DFT methods and periodic boundary conditions further elucidates the behavior during crystallization. It is shown that in addition to the favored [Si 8 Ge] 4− open‐square isomers arising in solution, the weak intermolecular interactions in the crystalline environment affect which structural isomers are observed in the crystal structure. The experimentally observed Ge site occupations could be explained by analysis of their energetics. This analysis contributes to the understanding of the mixing behavior of these important building blocks for material design. Crystallography ; Germanium ; Density functional theory ; Cluster (spacecraft) ; Crystallization ; Zintl phase ; Chemistry ; Silicon ; Chemical physics ; Crystal structure ; Crystal (programming language) ; Materials science ; Computational chemistry Inorganic Chemistry and Materials ; Semiconductor materials and interfaces ; Silicon Nanostructures and Photoluminescence
Authors: Juan Yang | Jixing Lai | Shengxin Sun | Weixing Li | Shengkun Li
Source: ChemRxiv (preprint, 2022-10-25)
Field: Chemistry — Organic Chemistry

NHPyOx as a Chem-Bio Model for the Synergistic Discovery of Novel Ligands Facilitating Pharmaceutical Science Amino-pyridine-oxazoline (NH-PyOx) was conceived as a proof-of-concept of a chem-bio model (CBM) for function-oriented synergistic optimization. It culminated in the discovery of novel ligands showing much better performance in Hayashi-Miyaura coupling or antifungal performance than that of PyOx and boscalid, respectively. Antifungal ; Oxazoline ; Combinatorial chemistry ; Chemistry ; Drug discovery ; Proof of concept ; Function (biology) ; Computational biology ; Computer science ; Organic chemistry ; Biochemistry ; Biology ; Catalysis ; Microbiology Synthetic Organic Chemistry Methods ; Synthesis and Catalytic Reactions ; Cyclopropane Reaction Mechanisms
Authors: Mihai Răducă | Sorana Ionescu | Augustin M. Mădălan
Source: Crystals (article, 2022-12-13)
Field: Chemistry — Spectroscopy

Synthesis, Crystal Structure, and Optical Properties of a Trinuclear Zinc(II) Complex with Rhodamine B A heteroleptic homotrinuclear complex, [Zn3(valhydr)2(RhB)2(EtOH)2](ClO4)2 (H2valhydr = 1,2-bis(2-hydroxy-3-methoxybenzylidene)hydrazine, RhB = rhodamine B), was synthesized and structurally characterized by X-ray diffraction on single crystal. In the centrosymmetric complex, the zinc ions are positioned in a linear manner. The external zinc ions are pentacoordinated with a distorted square pyramidal stereochemistry, while the central zinc ion presents an elongated octahedral geometry. Luminescent properties of the complex were investigated in solid state and solution. Zinc ; Rhodamine B ; Crystallography ; Luminescence ; Octahedron ; Crystal structure ; Chemistry ; Rhodamine ; Square pyramidal molecular geometry ; Ion ; Solid-state ; Crystal (programming language) ; Stereochemistry ; Materials science ; Photocatalysis ; Fluorescence ; Physical chemistry ; Optics ; Organic chemistry ; Physics Molecular Sensors and Ion Detection ; Lanthanide and Transition Metal Complexes ; Metal complexes synthesis and properties
Authors: Aref Abbasi Moud
Source: ChemRxiv (review, 2022-11-29)
Field: Materials Science — Biomaterials

Advanced applications of cellulose nanocrystals: a mini review Cellulose that has been acid hydrolyzed is what makes up cellulose nanocrystals (CNC). Due to CNCs biodegradability, renewability, sustainability, and mechanical properties, they have a wide range of applications in the biomedical, photonics, and material engineering fields. Rheology, or the flow behaviour of CNC dispersion, is integrally tied to the processing and design of CNC-based products, thus it is important and warrants inquiry to carefully examine the relationship between rheology's flow behaviour and their attributes. In this paper, we report the most recent findings on the advanced application of CNC suspension, aerogel, and hydrogels. Applications to technology and material science for developing advanced materials such as photonic tunable crystals, responsive materials, and thermal insulation packing materials were also covered. Materials science ; Rheology ; Cellulose ; Nanocrystal ; Aerogel ; Nanotechnology ; Suspension (topology) ; Dispersion (optics) ; Composite material ; Chemical engineering ; Engineering Advanced Cellulose Research Studies ; Lignin and Wood Chemistry
Authors: K Kinnera | Kevin Sneed | Yashwant Pathak
Source: Acta Scientific Medical Sciences (article, 2022-05-01)
Field: Materials Science — Biomaterials

Recent Trends in Nano-Drug Delivery Systems for Breast, Prostate, Brain, and Other Cancers Nano delivery system as well as Nano medicine is new initiative; however, it develops pharmaceutical science increasingly. Medicine ; Drug delivery ; Prostate cancer ; Drug ; Oncology ; Prostate ; Internal medicine ; Pharmacology ; Cancer ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Advanced Drug Delivery Systems
Authors: Bin Hou | Chuao Ma | Sidi Li | Hongliang Liu
Source: Frontiers in Chemistry (review, 2022-09-12)
Field: Materials Science — Polymers and Plastics

Modifying the conductive properties of poly(3,4-ethylenedioxythiophene) thin films in green solvents With the rapid development of flexible electronic devices, flexible transparent conductive materials acted as the charge transport layer or electrical interconnect in the devices are of great need. As one of the representative conductive materials, poly(3,4-ethylenedioxythiophene) (PEDOT) has received more and more attention due to its high transparency in the visible region, good flexibility, especially the tunable conductivity. In order to achieve high conductivities, various of effective approaches have been adopted to modify the PEDOT thin films. However, some strategies need to be carried out in hazardous solvents, which may pollute the environment and even hinder the application of PEDOT thin films in emerging bioelectronics. Therefore, in this mini review, we focus on the discussion about the modification methods for PEDOT thin films in green solvents. According to the source of PEDOT, the modification methods of PEDOT thin films are mainly described from two aspects: 1) modification of <i>in-situ</i> PEDOT, 2) modification of PEDOT complex with poly(styrenesulfonic acid) (PEDOT:PSS). Finally, we conclude with the remaining challenges for future development on the PEDOT thin films prepared by green methods. PEDOT:PSS ; Materials science ; Poly(3,4-ethylenedioxythiophene) ; Thin film ; Bioelectronics ; Conductive polymer ; Nanotechnology ; Conductivity ; Electrical conductor ; Layer (electronics) ; Chemical engineering ; Polymer ; Composite material ; Chemistry ; Biosensor Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: Muhammad Aneeq Haq | Yoseb Song | Hansaem Lee | Mi‐Hye Lee | Bin Lee | Bum Sung Kim
Source: Preprints.org (preprint, 2022-01-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nd2Fe14B/FeCo Core-Shell Nanoparticle Synthesis Using Galvanic Substitution Based Electroless Plating Core-shell structured magnetic nanoparticles combine hard and a soft phases to improve energy efficiency. The mutual interaction of the two phases can lead to the exchange spring effect leading to higher magnetic energy. In this regard, synthesis of Nd2Fe14B based core-shell structured powders have proven to be elusive due to the relatively reactive nature of this phase. In this study, a process has been established for successfully coating the surface of Nd2Fe14B powders with FeCo layer using galvanic displacement method. Initially, a binary phase magnetic powder was synthesized containing Nd2Fe14B and Nd2Fe17 phase. Subsequently, the powders were coated using a Co precursor at 303 K. During coating the metastable Nd2Fe17 phase was dissolved and the Fe ions were released into the solution. Subsequently, the Fe ions deposited together with the Co ions on the surface of Nd2Fe14B powder to form a FeCo shell. The deposited layer thickness and composition was confirmed using TEM analysis. Materials science ; Coating ; Nanoparticle ; Chemical engineering ; Galvanic cell ; Phase (matter) ; Single displacement reaction ; Shell (structure) ; Ion ; Layer (electronics) ; Metallurgy ; Composite material ; Nanotechnology ; Chemistry Magnetic Properties of Alloys ; Metallic Glasses and Amorphous Alloys ; Magnetic properties of thin films
Authors: Yu̅ta Hioki | Matteo Costantini | Jeremy Griffin | Kaid C. Harper | Melania Prado Merini | Benedikt Nissl | Yu Kawamata | Phil S. Baran
Source: ChemRxiv (preprint, 2022-10-30)
Field: Chemistry — Organic Chemistry

Overcoming the Limitations of Kolbe Coupling via Waveform-Controlled Electrosynthesis The Kolbe reaction has seen limited applications owing to its extremely poor chemoselectivity and reliance on precious metal-based electrodes, despite its potential to be one of the workhorse reactions of organic synthesis for C–C bond formation in both discovery and process settings. Although hundreds of studies over a century aimed to improve its efficiency and selectivity, general solutions have yet to be found. Herein, an exceedingly simple solution to this long-standing challenge is presented by merely tuning the waveform employed. Thus, switching from classic direct current (DC) to rapid alternating polarity (rAP), a broad range of functional groups can now be tolerated using inexpensive and sustainable carbon-based electrodes. A variety of high-value molecules ranging from useful unnatural amino acids to promising polymer building blocks are now accessible from readily available carboxylic acids, including biomass-derived acids. The practicality of the rAP-Kolbe reaction enables facile implementation of large-scale reactions, realizing access to novel degradable polymers from biomass. Preliminary mechanistic studies implicate the role of waveform in modulating the local pH around electrodes, which in turn affects the underlying redox processes. The ease, efficiency, and chemoselectivity of the rAP-Kolbe reaction finally opens the door to the widespread mainstream adoption of this classic reaction. Chemoselectivity ; Electrosynthesis ; Nanotechnology ; Waveform ; Chemistry ; Combinatorial chemistry ; Redox ; Biochemical engineering ; Computer science ; Materials science ; Electrode ; Organic chemistry ; Catalysis ; Telecommunications ; Engineering Radical Photochemical Reactions ; Catalytic Cross-Coupling Reactions ; Sulfur-Based Synthesis Techniques
Authors: Abhishek Pareek | Marcin Kałek
Source: ChemRxiv (preprint, 2022-02-28)
Field: Chemistry — Organic Chemistry

Regioselective Morita-Baylis-Hillman Reaction with N-Alkylpyridinium Salts as Electrophiles Morita-Baylis-Hillman reaction employing N-alkylpyridinium salts as electrophiles has been developed. The reaction is promoted by DBU, which acts both as a catalyst activating the electron-poor olefin as well as a base. The transformation delivers a broad range of α-(hydropyridine)vinyl esters, ketones, and sulfones. The dearomatization of N-alkylquinolinium salts occurs regioselctively at the C-2 position, whereas N-alkylpyridinium salts undergo addition at the C-4 position. Electrophile ; Regioselectivity ; Chemistry ; Catalysis ; Olefin fiber ; Medicinal chemistry ; Organic chemistry ; Base (topology) Sulfur-Based Synthesis Techniques ; Synthesis of heterocyclic compounds ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Zehao Jia
Source: Highlights in Science Engineering and Technology (article, 2022-12-30)
Field: Chemistry — Organic Chemistry

Application of Degradable Polymers for the Treatment of Wounds and Tumors Degradable polymers are of great significance in bacteriostatic and cancer treatment. Biodegradable biomaterials have the characteristics of high safety, good environmental protection and good therapeutic effect. This article mainly introduces the application of the polymerization strategy in the biomedical field. In the direction of bacteriostasis, degradable polymers provide a series of new and effective ideas for researchers. For example, the biodegradable antimicrobial gene vector based on tobramycin, a kind of antibiotic, coupled with polyaspartic acid (TPT) effectively realized the antimicrobial treatment and restoration of skin damage. A multifunctional injectable hydrogel dressing that integrates electrical conductivity, good antioxidant capacity and antibacterial properties has been designed to treat skin injuries. Supramolecular polymers with strong antibacterial effect and controllable degradability were used to prepare biodegradable antibiotics to enhance the antibacterial effect of antibiotics against drug-resistant bacteria. In addition, degradable polymers also show great potential in the treatment of cancer. For example, scientists have discovered that drug release can be triggered from tumor-targeted polymer nanoparticles through the process of polymer degradation mediated by reactive oxygen species. The development of a rapidly degraded chitosan based multilayer controlled release membrane provides a theoretical basis for the preparation of customized multilayer membranes for drug administration. The adoption of the concept of the macromolecular engineering, which mixes drugs with polymers, opens up a new way to design polymer biodegradable drug delivery systems. Thus, the potential of biodegradable polymers in various interdisciplinary fields has been highly valued, and they will be more widely used in production and life in the future. Polymer ; Nanotechnology ; Biodegradable polymer ; Materials science ; Chitosan ; Antimicrobial ; Antibiotics ; Drug ; Cancer treatment ; Drug delivery ; Combinatorial chemistry ; Chemistry ; Organic chemistry ; Pharmacology ; Cancer ; Medicine ; Biochemistry Antimicrobial agents and applications ; Electrospun Nanofibers in Biomedical Applications
Authors: Jana Svobodová | Ivan Mikšı́k
Source: Gels (article, 2022-03-22)
Field: Chemistry — Spectroscopy

Application of Sol–Gels Modified with Natural Plants Extracts as Stationary Phases in Open-Tubular Capillary Electrochromatography Ethanol extracts of three widely growing plants were added to silica sol-gel solutions, which were subsequently applied as wall surface modifiers in inner quartz capillaries. Modified capillaries were used for open-tubular capillary electrochromatographic separation of nucleotides and amino groups containing biological compounds (neurotransmitters, amino acids and oligopeptides). The experiments were performed at physiological pH 7.40, and eventual changes of effective mobilities were calculated. Specific compounds characteristic for each plant were tested as sol-gel additives as well, and thus-modified capillaries were used for the separations of the same analytes under identical conditions. The aim of this study was to find out possible interactions between physiological compounds and extracts of freely available plants anchorded in the sol-gel stationary phase in the flowing system. Even though the amount of the modifier in each capillary is very small, basic statistical evaluation showed some not negligible changes in effective mobility of tested analytes. These changes were bigger than ±5% for separations of nucleotides in capillaries with curcuma, Moringa or the mixture of synthetic additives as the sol-gel aditive, and for separations of amino compounds where these changes varying by additive, analyte by analyte. Capillary electrochromatography ; Electrochromatography ; Capillary action ; Materials science ; Chromatography ; Nanotechnology ; Chemistry ; Chemical engineering ; Capillary electrophoresis ; Composite material ; Engineering Analytical Chemistry and Chromatography ; Chemical and Physical Properties in Aqueous Solutions ; Crystallization and Solubility Studies
Authors: Mirosława El Fray | Gökhan Demirci | Malwina Niedźwiedź | Nina Kantor-Malujdy
Source: Preprints.org (preprint, 2022-04-20)
Field: Materials Science — Biomaterials

Elastomer-Hydrogel Systems: From Bio-Inspired Interfaces to Medical Applications Novel advanced biomaterials have recently gained great attention, especially in surgical minimally invasive techniques. Applying sophisticated design and engineering methods, various elastomer-hydrogel systems (EHS) with outstanding performance have been developed in last decades. Those systems composed of elastomers and hydrogels are very attractive due to their high biocompatibility, injectability, controlled porosity and often antimicrobial properties. Moreover, elastomeric properties and bioadhesiveness are making them suitable for soft tissue engineering. Herein, we present the advances in current state-of-the-art design principles and strategies for strong interface formation inspired by nature (bio-inspiration), diverse properties and applications of elastomer-hydrogel systems in different medical fields, in particular, in tissue engineering. Functionalities of those systems, including adhesive properties, injectability, antimicrobial properties and degradability applicable to tissue engineering will be discussed in a context of future efforts towards development of advanced biomaterials. Self-healing hydrogels ; Elastomer ; Tissue engineering ; Biocompatibility ; Nanotechnology ; Materials science ; Context (archaeology) ; Computer science ; Engineering ; Biomedical engineering ; Composite material Electrospun Nanofibers in Biomedical Applications ; 3D Printing in Biomedical Research ; Connective tissue disorders research