jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Iheanyi Emeka Ukamaka | Agada Martina
Source: Journal of Computational Intelligence in Materials Science (article, 2023-08-02)
Field: Materials Science — Biomaterials

New Techniques and Applications of Bioprocess inspired Manufacturing and Synthesis Manufacturing and designing bio-inspired materials has been successful in the past two decades due to the techniques, which focus on emulating well-defined geometries or specific functionalities of real biological materials. Additionally, in contrast to our human technologies, which often need severe circumstances, biological structure-forming techniques in natural frameworks may produce biomaterials effectively and correctly in ecologically benign conditions. Thus, bioprocess-inspired fabrication has been suggested as a new research area in recent years to explore natural structure-forming processes in order to develop unique approaches for manufacturing sophisticated materials with different morphologies and functionalities. In this paper, we focus on reviewing the principles, techniques, and applications of bioprocess-inspired manufacturing and synthesis. This paper also reviews the process of biomineralization, which is an application of bioprocess-inspired fabrication used by living organisms in establishing biominerals such as shells, bones, diatoms, and teeth. This survey has aim to critically discuss bio-process-inspired to cover the dearth of literature in this area of research. Bioprocess ; Biochemical engineering ; Computer science ; Process engineering ; Manufacturing engineering ; Nanotechnology ; Engineering ; Materials science ; Chemical engineering Diatoms and Algae Research ; Calcium Carbonate Crystallization and Inhibition ; Algal biology and biofuel production
Authors: Prachi Mhettar | Niraj Kale | Jidnyasa Pantwalawalkar | Sopan Nangare | Namdeo Jadhav
Source: ADMET & DMPK (article, 2023-11-17)
Field: Chemistry — Inorganic Chemistry

Metal-organic frameworks: Drug delivery applications and future prospects Recently, MOFs have emerged as versatile drug delivery carriers possessing customization potential and meeting the needs of spatio-temporal drug delivery. Researchers have devised several environment-friendly approaches for MOF construction and surface modification. Owing to stimuli-responsive potential, MOFs have demonstrated their prominent therapeutic efficacy via several routes of administration. The numerous benefits of MOFs would certainly open up a new vista for its novel drug delivery applications. Drug delivery ; Nanotechnology ; Metal-organic framework ; Targeted drug delivery ; Biocompatibility ; Drug ; Biochemical engineering ; Computer science ; Materials science ; Engineering ; Chemistry ; Medicine ; Pharmacology Metal-Organic Frameworks: Synthesis and Applications ; Dendrimers and Hyperbranched Polymers ; Nanoparticle-Based Drug Delivery
Authors: Monica J. Mendoza‐Castro | Zhipeng Qie | Xiaolei Fan | Noemi Linares | Javier García‐Martínez
Source: Nature Communications (article, 2023-03-06)
Field: Chemistry — Inorganic Chemistry

Tunable hybrid zeolites prepared by partial interconversion Zeolite interconversion is a widely used strategy due to its unique advantages in the synthesis of some zeolites. By using a long-chain quaternary amine as both a structure-directing agent and porogen, we have produced superior catalysts, which we named Hybrid Zeolites, as their structures are made of building units of different zeolite types. The properties of these materials can be conveniently tuned, and their catalytic performance can be optimized simply by stopping the interconversion at different times. For cracking the 1,3,5-triisopropylbenzene, Hybrid Zeolites made of FAU and MFI units show a 5-fold increase in selectivity towards the desired product, that is, 1,3-diisopropylbenzene, compared to the commercial FAU, and a 7-fold increase in conversion at constant selectivity compared to MFI zeolite. Zeolite ; Selectivity ; Catalysis ; Cracking ; Amine gas treating ; Fluid catalytic cracking ; Chemical engineering ; Materials science ; Molecular sieve ; Chemistry ; Organic chemistry Zeolite Catalysis and Synthesis ; Chemical Synthesis and Characterization ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Dario Marchionni | Sumon Basak | Alireza Nazari Khodadadi | Assunta Marrocchi | Luigi Vaccaro
Source: Advanced Functional Materials (article, 2023-08-03)
Field: Materials Science — Materials Chemistry

Synthesis and Applications of Organic Borazine Materials Abstract The past decade has marked a renewed interest in borazines and BN‐doped polycyclic aromatic hydrocarbons. This is predominantly because of new advances that have highlighted their potential in various applications, including gas separation and storage, organic (opto)electronics, catalysis, and as supramolecular systems. This review gives a critical overview of the most significant approaches to the synthesis of (substituted) B 3 N 3 motifs and focuses on the discussion of those borazine‐doped carbon structures that have been developed for potential use in materials science applications. Borazine ; Materials science ; Nanotechnology ; Supramolecular chemistry ; Organic electronics ; Catalysis ; Carbon fibers ; Organic chemistry ; Molecule ; Chemistry ; Engineering Boron and Carbon Nanomaterials Research ; Organoboron and organosilicon chemistry ; Boron Compounds in Chemistry
Authors: Lu Cheng | Dang Yu | Yu Wang | Kai‐Jie Chen
Source: Materials Chemistry Frontiers (article, 2023-11-30)
Field: Chemistry — Inorganic Chemistry

Recent advances in metal–organic frameworks for water absorption and their applications Metal–organic frameworks (MOFs) are promising water adsorbents with a controllable absorption humidity range, superior water capacity, and tailorable regeneration conditions. Metal-organic framework ; Materials science ; Absorption (acoustics) ; Adsorption ; Nanotechnology ; Metal ; Absorption capacity ; Humidity ; Absorption of water ; Chemical engineering ; Composite material ; Chemistry ; Organic chemistry ; Metallurgy ; Meteorology ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Solar-Powered Water Purification Methods ; Adsorption and Cooling Systems
Authors: Victor Chike Agbakoba | Teboho Clement Mokhena | E.E. Ferg | Shanganyane Percy Hlangothi | Maya Jacob John
Source: Cellulose (article, 2023-11-15)
Field: Materials Science — Biomaterials

PLA bio-nanocomposites reinforced with cellulose nanofibrils (CNFs) for 3D printing applications Abstract This study deals with the development of 3D printable bionanocomposites using poly(lactic acid) (PLA) with ≤ 2% D-lactic acid content and cellulose nanofibrils (CNFs). The CNFs were extracted from the waste sawdust of Eucalyptus grandis via chemical and mechanical techniques. Thermogravimetric analysis (TGA) revealed that the CNFs were thermally stable within the intended processing temperature ranges. In this study, a combination of solvent casting and melt extrusion techniques was adopted in the production of PLA containing 1 wt% and 3 wt% CNFs. The neat PLA filament was brittle and frequently broke during fused deposition modelling (FDM) 3D printing. However, the incorporation of triacetin as a green plasticizer resulted in improved filament flexibility and eliminated the inherent brittleness. TGA analysis revealed a slight reduction in the degradation temperature of the bionanocomposites when compared to neat polymer; however, all the specimens were thermally stable within the processing temperature. The scanning electron microscopy images of the 3D printed specimens revealed the presence of voids across the fracture surfaces. The tensile analysis of 3D printed specimens revealed that the PLA/CNF bionanocomposites exhibited higher tensile modulus, and elongation (strain) when compared to PLA-based specimens. The tensile strength of the 3D-printed 1 wt% bionanocomposite specimen was 12% higher than that of the neat specimen, whereas the 3 wt% bionanocomposite remained comparable to neat PLA. In summary, the morphological, tensile and 3D printing analysis revealed that the bionanocomposite filaments possessed adequate roundness, flexibility, and strength. The as-prepared filaments performed well under low printing temperatures without warping. Materials science ; Ultimate tensile strength ; Polylactic acid ; Thermogravimetric analysis ; Composite material ; Cellulose ; Nanocomposite ; Polymer ; Chemical engineering biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies ; Advanced Cellulose Research Studies
Authors: Johannes Karges
Source: BME Frontiers (review, 2023-01-01)
Field: Materials Science — Biomaterials

Encapsulation of Ru(II) Polypyridine Complexes for Tumor-Targeted Anticancer Therapy Ru(II) polypyridine complexes have attracted much attention as anticancer agents because of their unique photophysical, photochemical, and biological properties. Despite their promising therapeutic profile, the vast majority of compounds are associated with poor water solubility and poor cancer selectivity. Among the different strategies employed to overcome these pharmacological limitations, many research efforts have been devoted to the physical or covalent encapsulation of the Ru(II) polypyridine complexes into nanoparticles. This article highlights recent developments in the design, preparation, and physicochemical properties of Ru(II) polypyridine complex-loaded nanoparticles for their potential application in anticancer therapy. Cancer therapy ; Chemistry ; Combinatorial chemistry ; Nanotechnology ; Nanoparticle ; Covalent bond ; Rational design ; Materials science ; Cancer ; Organic chemistry ; Medicine Nanoparticle-Based Drug Delivery ; Metal complexes synthesis and properties ; Nanomaterials for catalytic reactions
Authors: Hadice Kübra Pektas | Yan Demidov | Aslin Ahvan | Nahal Abie | Veronika S. Georgieva | Shiyi Chen | Silvia Farè | Bent Brachvogel | Sanjay Mathur | Hajar Maleki
Source: ACS Materials Au (article, 2023-09-08)
Field: Materials Science — Materials Chemistry

MXene-Integrated Silk Fibroin-Based Self-Assembly-Driven 3D-Printed Theragenerative Scaffolds for Remotely Photothermal Anti-Osteosarcoma Ablation and Bone Regeneration Aiming to address the bone regeneration and cancer therapy functionalities in one single material, in this study, we developed a dual-functional theragenerative three-dimensional (3D) aerogel-based composite scaffold from hybridization of photo-cross-linked silk fibroin (SF) biopolymer with MXene (Ti<sub>3</sub>C<sub>2</sub>) two-dimensional (2D) nanosheets. To fabricate the scaffold, we first develop a dual-cross-linked SF-based aerogel scaffold through 3D printing and photo-cross-linking of the self-assembly-driven methacrylate-modified SF (SF-MA) gel with controlled pore size, macroscopic geometry, and mechanical stability. In the next step, to endow a remotely controlled photothermal antiosteosarcoma ablation function to fabricated aerogel scaffold, MXene 2D nanosheets with strong near-infrared (NIR) photon absorption properties were integrated into the 3D-printed scaffolds. While 3D-printed MXene-modified dual-cross-linked SF composite scaffolds can mediate the <i>in vitro</i> growth and proliferation of preosteoblastic cell lines, they also endow a strong photothermal effect upon remote irradiation with NIR laser but also significantly stimulate bone mineral deposition on the scaffold surface. Additionally, besides the local release of the anticancer model drug, the generated heat (45-53 °C) mediated the photothermal ablation of cancer cells. The developed aerogel-based composites and chosen therapeutic techniques are thought to render a significant breakthrough in biomaterials' future clinical applications. Fibroin ; Photothermal therapy ; Ablation ; Regeneration (biology) ; SILK ; Materials science ; Tumor ablation ; 3d printed ; Nanotechnology ; Biomedical engineering ; Composite material ; Engineering ; Cell biology ; Biology MXene and MAX Phase Materials ; Silk-based biomaterials and applications ; Nanoplatforms for cancer theranostics
Authors: Billy J. Williams‐Noonan | Alexa Kamboukos | Nevena Todorova | Irene Yarovsky
Source: Chemical Physics Reviews (article, 2023-04-21)
Field: Materials Science — Biomaterials

Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations Peptide self-assembly is the process by which peptide molecules aggregate into low dimensional (1D, 2D) or 3D ordered materials with potential applications ranging from drug delivery to electronics. Short peptides are particularly good candidates for forming supramolecular assemblies due to the relatively simple structure and ease of modulating their self-assembly process to achieve required material properties. The experimental resolution of fibrous peptide-based nanomaterials as 3D atomic coordinates remains challenging. For surface-mediated peptide assembly in particular, it is typically not feasible to resolve multiple conformationally distinct surface bound peptide structures by experiment. The mechanisms of peptide self-assembly also remain elusive due to the interchange of complex interactions and multiple time and length scales involved in the self-assembly process. Peptide self-assembly in solution, or mediated by surfaces, is driven by specific interactions between the peptides and water, competing interactions within the peptide and/or between peptide aggregate units and, in the latter case, an interplay of the interactions between peptides and solvent molecules for adsorption onto a proximal surface. Computational methodologies have proven beneficial in elucidating the structures formed during peptide self-assembly and the molecular mechanisms driving it, and hence have scope in facilitating the development of functional peptide-based nanomaterials for medical or biotechnological applications. In this perspective, computational methods that have provided molecular insights into the mechanisms of formation of peptide biomaterials, and the all-atom-resolved structures of peptide assemblies are presented. Established and recently emerged molecular simulation approaches are reviewed with a focus on applications relevant to peptide assembly, including all-atom and coarse-grained “brute force” molecular dynamics methods as well as the enhanced sampling methodologies: umbrella sampling, steered and replica exchange molecular dynamics, and variants of metadynamics. These approaches have been shown to contribute all-atom details not yet available experimentally, to advance our understanding of peptide self-assembly processes and biomaterial formation. The scope of this review includes a summary of the current state of the computational methods, in terms of their strengths and limitations for application to self-assembling peptide biomaterials. Peptide ; Nanotechnology ; Molecular dynamics ; Self-assembly ; Nanomaterials ; Materials science ; Biophysics ; Supramolecular chemistry ; Chemistry ; Molecule ; Combinatorial chemistry ; Computational chemistry ; Biochemistry ; Biology Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Antimicrobial Peptides and Activities
Authors: Londiwe Simphiwe Mbatha | Jude Akinyelu | Chika I. Chukwuma | Mduduzi P. Mokoena | Tukayi Kudanga
Source: Viruses (review, 2023-03-13)
Field: Materials Science — Materials Chemistry

Current Trends and Prospects for Application of Green Synthesized Metal Nanoparticles in Cancer and COVID-19 Therapies Cancer and COVID-19 have been deemed as world health concerns due to the millions of lives that they have claimed over the years. Extensive efforts have been made to develop sophisticated, site-specific, and safe strategies that can effectively diagnose, prevent, manage, and treat these diseases. These strategies involve the implementation of metal nanoparticles and metal oxides such as gold, silver, iron oxide, titanium oxide, zinc oxide, and copper oxide, formulated through nanotechnology as alternative anticancer or antiviral therapeutics or drug delivery systems. This review provides a perspective on metal nanoparticles and their potential application in cancer and COVID-19 treatments. The data of published studies were critically analysed to expose the potential therapeutic relevance of green synthesized metal nanoparticles in cancer and COVID-19. Although various research reports highlight the great potential of metal and metal oxide nanoparticles as alternative nanotherapeutics, issues of nanotoxicity, complex methods of preparation, biodegradability, and clearance are lingering challenges for the successful clinical application of the NPs. Thus, future innovations include fabricating metal nanoparticles with eco-friendly materials, tailor making them with optimal therapeutics for specific disease targeting, and <i>in vitro</i> and <i>in vivo</i> evaluation of safety, therapeutic efficiency, pharmacokinetics, and biodistribution. Nanotechnology ; Nanomedicine ; Coronavirus disease 2019 (COVID-19) ; Nanotoxicology ; Drug delivery ; Cancer ; Biodistribution ; Nanoparticle ; Materials science ; Medicine ; In vivo ; Disease ; Biotechnology ; Infectious disease (medical specialty) ; Biology Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications
Authors: Bárbara Nunes | Fernando Cagide | Carlos Fernandes | Anabela Borges | Fernanda Borges | Manuel Simões
Source: International Journal of Molecular Sciences (article, 2023-12-29)
Field: Chemistry — Organic Chemistry

Efficacy of Novel Quaternary Ammonium and Phosphonium Salts Differing in Cation Type and Alkyl Chain Length against Antibiotic-Resistant Staphylococcus aureus Antibacterial resistance poses a critical public health threat, challenging the prevention and treatment of bacterial infections. The search for innovative antibacterial agents has spurred significant interest in quaternary heteronium salts (QHSs), such as quaternary ammonium and phosphonium compounds as potential candidates. In this study, a library of 49 structurally related QHSs was synthesized, varying the cation type and alkyl chain length. Their antibacterial activities against <i>Staphylococcus aureus</i>, including antibiotic-resistant strains, were evaluated by determining minimum inhibitory/bactericidal concentrations (MIC/MBC) ≤ 64 µg/mL. Structure-activity relationship analyses highlighted alkyl-triphenylphosphonium and alkyl-methylimidazolium salts as the most effective against <i>S. aureus</i> CECT 976. The length of the alkyl side chain significantly influenced the antibacterial activity, with optimal chain lengths observed between C<sub>10</sub> and C<sub>14</sub>. Dose-response relationships were assessed for selected QHSs, showing dose-dependent antibacterial activity following a non-linear pattern. Survival curves indicated effective eradication of <i>S. aureus</i> CECT 976 by QHSs at low concentrations, particularly compounds <b>1e</b>, <b>3e</b>, and <b>5e</b>. Moreover, in vitro human cellular data indicated that compounds <b>2e</b>, <b>4e</b>, and <b>5e</b> showed favourable safety profiles at concentrations ≤ 2 µg/mL. These findings highlight the potential of these QHSs as effective agents against susceptible and resistant bacterial strains, providing valuable insights for the rational design of bioactive QHSs. Phosphonium ; Staphylococcus aureus ; Alkyl ; Antibacterial activity ; Ammonium ; Chemistry ; Minimum inhibitory concentration ; Antibiotics ; Microbiology ; Methicillin-resistant Staphylococcus aureus ; Bacteria ; Biochemistry ; Biology ; Organic chemistry Antimicrobial agents and applications ; Phenothiazines and Benzothiazines Synthesis and Activities ; Antimicrobial Resistance in Staphylococcus
Authors: Ye Liu | Zhigang Zhao | Lixing Kang | Song Qiu | Qingwen Li
Source: Small (review, 2023-09-07)
Field: Materials Science — Materials Chemistry

Molecular Doping Modulation and Applications of Structure‐Sorted Single‐Walled Carbon Nanotubes: A Review Single-walled carbon nanotubes (SWCNTs) that have a reproducible distribution of chiralities or single chirality are among the most competitive materials for realizing post-silicon electronics. Molecular doping, with its non-destructive and fine-tunable characteristics, is emerging as the primary doping approach for the structure-controlled SWCNTs, enabling their eventual use in various functional devices. This review provides an overview of important advances in the area of molecular doping of structure-controlled SWCNTs and their applications. The first part introduces the underlying physical process of molecular doping, followed by a comprehensive survey of the commonly used dopants for SWCNTs to date. Then, it highlights how the convergence of molecular doping and structure-sorting strategies leads to significantly improved functionality of SWCNT-based field-effect transistor arrays, transparent electrodes in optoelectronics, thermoelectrics, and many emerging devices. At last, several challenges and opportunities in this field are discussed, with the hope of shedding light on promoting the practical application of SWCNTs in future electronics. Materials science ; Carbon nanotube ; Nanotechnology ; Doping ; Dopant ; Electronics ; Molecular electronics ; Optoelectronics ; Electrical engineering ; Molecule ; Engineering ; Chemistry Carbon Nanotubes in Composites ; Graphene research and applications ; Semiconductor materials and interfaces
Authors: Chuqiao Shi | Nannan Mao | Kena Zhang | Tianyi Zhang | Ming‐Hui Chiu | Kenna Ashen | Bo Wang | Xiuyu Tang | Galio Guo | Shiming Lei | Long‐Qing Chen | Ye Cao | Xiaofeng Qian | Jing Kong | Yimo Han
Source: Nature Communications (article, 2023-11-07)
Field: Materials Science — Materials Chemistry

Domain-dependent strain and stacking in two-dimensional van der Waals ferroelectrics Van der Waals (vdW) ferroelectrics have attracted significant attention for their potential in next-generation nano-electronics. Two-dimensional (2D) group-IV monochalcogenides have emerged as a promising candidate due to their strong room temperature in-plane polarization down to a monolayer limit. However, their polarization is strongly coupled with the lattice strain and stacking orders, which impact their electronic properties. Here, we utilize four-dimensional scanning transmission electron microscopy (4D-STEM) to simultaneously probe the in-plane strain and out-of-plane stacking in vdW SnSe. Specifically, we observe large lattice strain up to 4% with a gradient across ~50 nm to compensate lattice mismatch at domain walls, mitigating defects initiation. Additionally, we discover the unusual ferroelectric-to-antiferroelectric domain walls stabilized by vdW force and may lead to anisotropic nonlinear optical responses. Our findings provide a comprehensive understanding of in-plane and out-of-plane structures affecting domain properties in vdW SnSe, laying the foundation for domain wall engineering in vdW ferroelectrics. van der Waals force ; Stacking ; Condensed matter physics ; Materials science ; Monolayer ; Ferroelectricity ; Anisotropy ; Polarization (electrochemistry) ; Lattice (music) ; Nanotechnology ; Optics ; Physics ; Optoelectronics ; Chemistry ; Nuclear magnetic resonance ; Dielectric 2D Materials and Applications ; Acoustic Wave Resonator Technologies ; Ferroelectric and Piezoelectric Materials