jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Paolo Bettotti | Marina Scarpa
Source: Advanced Materials Interfaces (article, 2021-12-29)
Field: Materials Science — Biomaterials

Nanocellulose and Its Interface: On the Road to the Design of Emerging Materials Abstract Nanocellulose has several unique properties that render it a versatile material with possible uses in a broad spectrum of applications. Nanocellulose is proved to form stable colloidal suspensions with interesting rheological properties, assemble in soft hydrogels of tunable porosity, compact dried films. Suggested or already current applications of these systems are in the field of electronics, biomedical, textile, and printing technologies. This review reports on the recent and emerging trends in nanocellulose research concerning the behavior, design, and modification of its interface. This nanomaterial is obtained by a biological source and its behavior is dictated from the composition and structure of native cellulose. The understanding of interface phenomena and their manipulation are the main issues for the effective manufacture of emulsions, coatings and films. In reviewing the recent applications, emphasis is placed on the systems which require control of the order and dynamic of nanocellulose assembly to realize smart materials exploiting the rich and complex behavior of nanocellulose. Nanocellulose ; Materials science ; Nanotechnology ; Nanomaterials ; Interface (matter) ; Cellulose ; Composite material ; Engineering ; Chemical engineering Advanced Cellulose Research Studies ; Material Properties and Processing ; Nanocomposite Films for Food Packaging
Authors: Jun Liu | Meng Li | Yong Huang | Li Zhang | Wei Li | Peng Cao | Weijie Min | Jingyuan Li | Wei Jing
Source: Journal of Nanomaterials (article, 2021-12-24)
Field: Materials Science — Biomaterials

A Nanogel with Effective Blood-Brain Barrier Penetration Ability through Passive and Active Dual-Targeting Function Clinically, surgery assisted by chemotherapy is the most effective treatment of cancer. But from our clinical observation, the median survival of patients with glioblastoma is still not so good with only 15-16 months. The low therapeutic index is mainly due to the blood-brain barrier (BBB) which significantly hindered the chemotherapeutic drug accumulation in tumor tissue. One main composition of the BBB is astrocyte, which contains a lipophilic cell membrane, which prevents more than 98% of small-molecule drugs from entering the brain. Previously, we found that the nanogel with passive targeting function can increase the BBB penetration ability, which indicates that it could be used to overcome the above mentioned in vivo obstacles which promoted drug accumulation in the tumor. In this study, thermosensitive targeted nanogel delivery systems (DPPC) with cell-penetrating peptides (CPP) are introduced onto the particle surface for active astrocyte breaking. The hydrodynamic radius of DPPC is around 300 nm, the potential is about 0-5 mV, and the TEM and DLS studies further confirm its well spherical morphology and uniform distribution. The DPPC is verified as the biocompatible carriers for further application by cell viability tests. The in vitro-constructed BBB model successfully proves that DPPC can efficiently penetrate the BBB, which is attributed to both the temperature-sensitive passive targeting and the active CPP penetration. Consequently, the intracellular doxorubicin (DOX) promotes such functional DPPC at the relatively high temperature inside tumor microenvironment (TME) (~42°C), which obviously improves intratumor drug accumulation and tumor cell-killing effects. The dual-targeted nanogel delivery systems designed in this study provides a more effective strategy for the treatment of glioma. Nanogel ; Penetration (warfare) ; Blood–brain barrier ; Materials science ; In vivo ; Doxorubicin ; Drug delivery ; Biophysics ; Microbubbles ; Nanotechnology ; Chemotherapy ; Medicine ; Biology ; Central nervous system Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Barrier Structure and Function Studies
Authors: Hugo Valdés | Juan Manuel Germán-Acacio | Gerard van Koten | David Morales‐Morales
Source: Dalton Transactions (review, 2021-12-20)
Field: Chemistry — Organic Chemistry

Bimetallic complexes that merge metallocene and pincer-metal building blocks: synthesis, stereochemistry and catalytic reactivity This perspective is to illustrate the synthesis and applications of bimetallic complexes by merging a metallocene and a (cyclopentadienyl/aryl) pincer metal complex. Four possible ways to merge metallocene and pincer-metal motifs are reported and representative examples are discussed in more detail. These bimetallic complexes have been employed in some important catalytic reactions such as cross-coupling, transfer hydrogenation or synthesis of ammonia. The metallocene fragment may tune the electronic properties of the pincer ligand, due to its redox reversible properties. Also, the presence of two metals in a single complex allows their electronic communication, which proved beneficial for, <i>e.g.</i>, the catalytic activity of some species. The presence of the metallocene fragment provides an excellent opportunity to develop chiral catalysts, because the metallocene merger generally renders the two faces of the pincer-metal catalytic site diastereotopic. Besides, an extra chiral functionality may be added to the bimetallic species by using pincer motifs that are planar chiral, <i>e.g.</i> by using the different substituents of pincer ligand "arms" or non-symmetrical arene groupings. Post-functionalization of pre-formed pincer-metal complexes, <i>via</i> η<sup>6</sup>-coordination with an areneophile such as [CpRu]<sup>+</sup> and [Cp*Ru]<sup>+</sup> presents a striking strategy to obtain diastereomeric metallocene-pincer type derivatives, that actually involve half-sandwich metallocenes. This approach offers the possibility to create diastereomerically pure derivatives by using the chiral TRISPHAT anion. The authors hope that this report of the synthetic, physico-chemical properties and remarkable catalytic activities of metallocene-based pincer-metal complexes will inspire other researchers to continue exploring this realm. Pincer movement ; Metallocene ; Bimetallic strip ; Pincer ligand ; Chemistry ; Combinatorial chemistry ; Catalysis ; Polymer chemistry ; Organic chemistry ; Polymerization Organometallic Complex Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis ; Coordination Chemistry and Organometallics
Authors: Hao Li | Bijin Xiong | Jiangping Xu | Jintao Zhu
Source: Aggregate (article, 2021-09-16)
Field: Chemistry — Organic Chemistry

Chiral transfer‐dictated self‐assembly of chiral block copolymers Abstract Chiral structures not only exist in nature widely, they also emerge in artificial systems, attracting myriad attentions due to their excellent mechanical, optical, electrical, and magnetic properties. Self‐assembly of chiral block copolymers (BCPs*), where at least one block consists of chiral centers, represents a facile strategy to form helical/spiral/network structures with a controlled chirality. Usually, morphological chirality of BCP* assemblies was closely associated with molecular and conformational chirality of the chiral block. Generally, chiral assemblies arose from molecular chirality of BCPs*, transferring up in the assembly process and dictated the chirality at a higher hierarchical level. In contrast, notwithstanding similar assemblies could be observed from achiral BCPs under certain conditions, both left‐ and right‐handed ones were usually observed simultaneously without a preference. Moreover, unique feature of BCPs* to access to controllable chiral assemblies affords an opportunity to prepare advanced functional materials. Herein, we dedicated a review on assembly of BCPs* into chiral assemblies in bulk/films, selective solvents, and confined spaces. The chiral transfer process in these assembly scenarios were discussed and highlighted as a key contributor to morphological chirality. Functionalities and representative applications of BCP* assemblies were also described, followed by present challenges and future prospects of BCP* self‐assembly. Chirality (physics) ; Self-assembly ; Copolymer ; Materials science ; Nanotechnology ; Block (permutation group theory) ; Chemical physics ; Chemistry ; Polymer ; Physics ; Chiral anomaly ; Mathematics ; Geometry Synthesis and Properties of Aromatic Compounds ; Supramolecular Self-Assembly in Materials ; Block Copolymer Self-Assembly
Authors: T. F. Alhamada | Azmah Hanim Mohamed Ariff | Dae-Woong Jung | Nuraini Abdul Aziz | Wan Zuha Wan Hasan
Source: Nanomaterials (review, 2021-10-15)
Field: Materials Science — Materials Chemistry

A Brief Review of the Role of 2D Mxene Nanosheets toward Solar Cells Efficiency Improvement This article discusses the application of two-dimensional metal MXenes in solar cells (SCs), which has attracted a lot of interest due to their outstanding transparency, metallic electrical conductivity, and mechanical characteristics. In addition, some application examples of MXenes as an electrode, additive, and electron/hole transport layer in perovskite solar cells are described individually, with essential research issues highlighted. Firstly, it is imperative to comprehend the conversion efficiency of solar cells and the difficulties of effectively incorporating metal MXenes into the building blocks of solar cells to improve stability and operational performance. Based on the analysis of new articles, several ideas have been generated to advance the exploration of the potential of MXene in SCs. In addition, research into other relevant MXene suitable in perovskite solar cells (PSCs) is required to enhance the relevant work. Therefore, we identify new perspectives to achieve solar cell power conversion efficiency with an excellent quality-cost ratio. MXenes ; Materials science ; Energy conversion efficiency ; Perovskite (structure) ; Photovoltaic system ; Solar cell ; Engineering physics ; Nanotechnology ; Perovskite solar cell ; Optoelectronics ; Electrical engineering ; Engineering ; Chemical engineering MXene and MAX Phase Materials ; Perovskite Materials and Applications ; Advanced Memory and Neural Computing
Authors: Aleksandra Zielińska | Marlena Szalata | Adam Gorczyński | Jacek Karczewski | Piotr Eder | Patrícia Severino | José Manuel Cabeda | Eliana B. Souto | Ryszard Słomski
Source: Cancers (review, 2021-04-15)
Field: Materials Science — Biomaterials

Cancer Nanopharmaceuticals: Physicochemical Characterization and In Vitro/In Vivo Applications Physicochemical, pharmacokinetic, and biopharmaceutical characterization tools play a key role in the assessment of nanopharmaceuticals' potential imaging analysis and for site-specific delivery of anti-cancers to neoplastic cells/tissues. If diagnostic tools and therapeutic approaches are combined in one single nanoparticle, a new platform called nanotheragnostics is generated. Several analytical technologies allow us to characterize nanopharmaceuticals and nanoparticles and their properties so that they can be properly used in cancer therapy. This paper describes the role of multifunctional nanoparticles in cancer diagnosis and treatment, describing how nanotheragnostics can be useful in modern chemotherapy, and finally, the challenges associated with the commercialization of nanoparticles for cancer therapy. In vivo ; In vitro ; Characterization (materials science) ; Cancer ; Computational biology ; Biology ; Chemistry ; Nanotechnology ; Materials science ; Biochemistry ; Biotechnology ; Genetics Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Alessia Pancaro | Michal Szymonik | Panagiotis G. Georgiou | Alexander N. Baker | Marc Walker | Peter Adriaensens | Jelle Hendrix | Matthew I. Gibson | Inge Nelissen
Source: Nanoscale (article, 2021-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The polymeric glyco-linker controls the signal outputs for plasmonic gold nanorod biosensors due to biocorona formation Gold nanorods (GNRs) are a promising platform for nanoplasmonic biosensing. The localised surface plasmon resonance (LSPR) peak of GNRs is located in the near-infrared optical window and is sensitive to local binding events, enabling label-free detection of biomarkers in complex biological fluids. A key challenge in the development of such sensors is achieving target affinity and selectivity, while both minimizing non-specific binding and maintaining colloidal stability. Herein, we reveal how GNRs decorated with galactosamine-terminated polymer ligands display significantly different binding responses in buffer compared to serum, due to biocorona formation, and how biocorona displacement due to lectin binding plays a key role in their optical responses. GNRs were coated with either poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) or poly(N-hydroxyethyl acrylamide) (PHEA) prepared via reversible addition-fragmentation chain-transfer (RAFT) polymerisation and end-functionalised with galactosamine (Gal) as the lectin-targeting unit. In buffer Gal-PHEA-coated GNRs aggregated upon soybean agglutinin (SBA) addition, whereas Gal-PHPMA-coated GNRs exhibited a red-shift of the LSPR spectrum without aggregation. In contrast, when incubated in serum Gal-PHPMA-coated nanorods showed no binding response, while Gal-PHEA GNRs exhibited a dose-dependent blue-shift of the LSPR peak, which is the opposite direction (red-shift) to what was observed in buffer. This differential behaviour was attributed to biocorona formation onto both polymer-coated GNRs, shown by differential centrifugal sedimentation and nanoparticle tracking analysis. Upon addition of SBA to the Gal-PHEA coated nanorods, signal was generated due to displacement of weakly-bound biocorona components by lectin binding. However, in the case of Gal-PHPMA which had a thicker corona, attributed to lower polymer grafting densities, addition of SBA did not lead to biocorona displacement and there was no signal output. These results show that plasmonic optical responses in complex biological media can be significantly affected by biocorona formation, and that biocorona formation itself does not prevent sensing so long as its exact nature (e.g. 'hard versus soft') is tuned. Nanorod ; Linker ; Biosensor ; Plasmon ; Materials science ; Nanotechnology ; SIGNAL (programming language) ; Optoelectronics ; Computer science Gold and Silver Nanoparticles Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Plasmonic and Surface Plasmon Research
Authors: Mikel Oiarbide | Claudio Palomo
Source: Chemistry - A European Journal (review, 2021-05-08)
Field: Chemistry — Organic Chemistry

Extended Enolates: Versatile Intermediates for Asymmetric C‐H Functionalization via Noncovalent Catalysis Catalyst-controlled functionalization of unmodified carbonyl compounds is a relevant operation in organic synthesis, especially when high levels of site- and stereoselectivity can be attained. This objective is now within reach for some subsets of enolizable substrates using various types of activation mechanisms. Recent contributions to this area include enantioselective transformations that proceed via transiently generated noncovalent di(tri)enolate-catalyst coordination species. While relatively easier to form than simple enolate congeners, di(tri)enolates are ambifunctional in nature and so control of the reaction regioselectivity becomes an issue. This Minireview discusses in some detail this and other problems, and how noncovalent activation approaches based on metallic and metal free catalysts have been developed to advance the field. Enantioselective synthesis ; Regioselectivity ; Non-covalent interactions ; Catalysis ; Surface modification ; Chemistry ; Combinatorial chemistry ; Stereoselectivity ; Organocatalysis ; Organic synthesis ; Nanotechnology ; Organic chemistry ; Molecule ; Materials science Catalytic C–H Functionalization Methods ; Asymmetric Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis
Authors: Lipiao Bao | Baolin Zhao | Bowen Yang | Marcus Halik | Frank Hauke | Andreas Hirsch
Source: Advanced Materials (article, 2021-06-26)
Field: Materials Science — Materials Chemistry

Hypervalent Iodine Compounds as Versatile Reagents for Extremely Efficient and Reversible Patterning of Graphene with Nanoscale Precision Rational patterning and tailoring of graphene relies on the disclosure of suitable reagents for structuring the target functionalities on the 2D-carbon network. Here, a series of hypervalent iodine compounds, namely, 1-chloro-1,2-benziodoxol-3(1H)-one, 1,3-dihydro-1-hydroxy-3,3-dimethyl-1,2-benziodoxole, and 3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole is reported to be extremely efficient for a diversified graphene patterning. The decomposition of these compounds generates highly reactive Cl, OH, and CF<sub>3</sub> radicals exclusively in the irradiated areas, which subsequently attach onto the graphene leading to locally controlled chlorination, hydroxylation, and trifluoromethylation, respectively. This is the first realization of a patterned hydroxylation of graphene, and the degrees of functionalization of the patterned chlorination and trifluoromethylation are both unprecedented. The usage of these mild reagents here is reasonably facile compared to the reported methods using hazardous Cl<sub>2</sub> or ICl and allows for sophisticated pattern designs with nanoscale precision, promising for arbitrary nanomanipulation of graphene's properties like hydrophilicity and conductivity by the three distinct functionalities (Cl, OH, and CF<sub>3</sub> ). Moreover, the attachment of functional entities to these highly functionalized graphene nanoarchitectures is fully reversible upon thermal annealing, enabling a full writing/storing/reading/erasing control over the chemical information stored within graphene. This work provides an exciting clue for target 2D functionalization and modulation of graphene by using suitable hypervalent iodine compounds. Hypervalent molecule ; Graphene ; Materials science ; Nanoscopic scale ; Nanotechnology ; Reagent ; Iodine ; Organic chemistry ; Metallurgy ; Chemistry Graphene research and applications ; Molecular Junctions and Nanostructures ; Covalent Organic Framework Applications
Authors: Anna Galler | Semih Ener | Fernando Maccari | Imants Dirba | Konstantin Skokov | Oliver Gutfleisch | Silke Biermann | Leonid V. Pourovskii
Source: npj Quantum Materials (article, 2021-01-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Intrinsically weak magnetic anisotropy of cerium in potential hard-magnetic intermetallics Abstract Cerium-based intermetallics are currently attracting much interest as a possible alternative to existing high-performance magnets containing scarce heavy rare-earth elements. However, the intrinsic magnetic properties of Ce in these systems are poorly understood due to the difficulty of a quantitative description of the Kondo effect, a many-body phenomenon where conduction electrons screen out the Ce-4 f moment. Here, we show that the Ce-4 f shell in Ce–Fe intermetallics is partially Kondo screened. The Kondo scale is dramatically enhanced by nitrogen interstitials suppressing the Ce-4 f contribution to the magnetic anisotropy, in striking contrast to the effect of nitrogenation in isostructural intermetallics containing other rare-earth elements. We determine the full temperature dependence of the Ce-4 f single-ion anisotropy and show that even unscreened Ce-4 f moments contribute little to the room-temperature intrinsic magnetic hardness. Our study thus establishes fundamental constraints on the potential of cerium-based permanent magnet intermetallics. Intermetallic ; Cerium ; Kondo effect ; Condensed matter physics ; Magnetic moment ; Isostructural ; Materials science ; Anisotropy ; Magnet ; Magnetic anisotropy ; Electron ; Kondo insulator ; Chemistry ; Magnetization ; Metallurgy ; Physics ; Alloy ; Crystallography ; Magnetic field ; Nuclear physics Magnetic Properties of Alloys ; Rare-earth and actinide compounds ; Hydrogen Storage and Materials
Authors: Paulina Stempin | Wojciech Sumelka
Source: Computational Mechanics (article, 2021-03-13)
Field: Materials Science — Materials Chemistry

Formulation and experimental validation of space-fractional Timoshenko beam model with functionally graded materials effects Abstract In this study, the static bending behaviour of a size-dependent thick beam is considered including FGM (Functionally Graded Materials) effects. The presented theory is a further development and extension of the space-fractional (non-local) Euler–Bernoulli beam model (s-FEBB) to space-fractional Timoshenko beam (s-FTB) one by proper taking into account shear deformation. Furthermore, a detailed parametric study on the influence of length scale and order of fractional continua for different boundary conditions demonstrates, how the non-locality affects the static bending response of the s-FTB model. The differences in results between s-FTB and s-FEBB models are shown as well to indicate when shear deformations need to be considered. Finally, material parameter identification and validation based on the bending of SU-8 polymer microbeams confirm the effectiveness of the presented model. Timoshenko beam theory ; Beam (structure) ; Parametric statistics ; Bending ; Structural engineering ; Boundary value problem ; Shear (geology) ; Mathematics ; Mechanics ; Physics ; Mathematical analysis ; Materials science ; Engineering ; Composite material Nonlocal and gradient elasticity in micro/nano structures ; Numerical methods in engineering ; Composite Structure Analysis and Optimization
Authors: Antonio Fotia | Angela Malara | Emilia Paone | Lucio Bonaccorsi | Patrizia Frontera | Giulia Serrano | Andréa Caneschi
Source: Nanomaterials (article, 2021-05-12)
Field: Materials Science — Polymers and Plastics

Self Standing Mats of Blended Polyaniline Produced by Electrospinning Conducting nanofibers of polyaniline (PANI) doped with camphor-10-sulfonic acid (HCSA) and blended with different polymers, such as polymethyl methacrylate (PMMA) and polyvinyl acetate (PVAc), have been fabricated using the electrospinning technique. Scanning electron microscopy (SEM) and thermal gravimetric analysis (TGA) were utilized to characterize the morphology and the thermal stability of PANI-blended fibers. An extensive study was performed to understand the copolymer influence on both the structural and surface properties of the realized conductive thin films. Samples main electrical characteristics, as conductivity, specific capacitance and electrochemical performances were tested. The better mats were obtained with the use of PVAc copolymer, which showed a conductivity value two orders of magnitude higher than the PMMA system. Aiming at further improving the electrochemical features of these blended mats, hybrid fibers based on PANI/PVAc/graphene oxide and PANI/PVAc/iron oxide were also produced and characterized. The obtained mats were potentially addressed to numerous practical fields, including sensors, health applications, smart devices and multifunctional textile materials. Materials science ; Electrospinning ; Polyvinyl acetate ; Polyaniline ; Thermogravimetric analysis ; Nanofiber ; Contact angle ; Chemical engineering ; Polyaniline nanofibers ; Polymer ; Composite material Conducting polymers and applications ; Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials