jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaodan Chen | Heleen van Gog | Marijn A. van Huis
Source: Journal of Materials Chemistry C (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Transformation of Co<sub>3</sub>O<sub>4</sub>nanoparticles to CoO monitored by<i>in situ</i>TEM and predicted ferromagnetism at the Co<sub>3</sub>O<sub>4</sub>/CoO interface from first principles Nanoparticles of Co<sub>3</sub>O<sub>4</sub> and CoO are of paramount importance because of their chemical properties propelling their applications in catalysis and battery materials, and because of their intriguing magnetic properties. Here we elucidate the transformation of Co<sub>3</sub>O<sub>4</sub> nanoparticles to CoO into nanoscale detail by <i>in situ</i> heating in the transmission electron microscope (TEM), and we decipher the energetics and magnetic properties of the Co<sub>3</sub>O<sub>4</sub>/CoO interface from first principles calculations. The transformation was found to start at a temperature of 350 °C, and full conversion of all particles was achieved after heating to 400 °C for 10 minutes. The transformation progressed from the surface to the center of the nanoparticles under the formation of dislocations, while the two phases maintained a cube-on-cube orientation relationship. Various possibilities for magnetic ordering were considered in the density functional theory (DFT) calculations and a favorable Co<sub>3</sub>O<sub>4</sub>/CoO {100}/{100} interface energy of 0.38 J m<sup>-2</sup> is predicted for the lowest-energy ordering. Remarkably, the DFT calculations revealed a substantial net ferromagnetic moment originating from the interface between the two antiferromagnetic compounds, amounting to approximately 13.9 <i>μ</i> <sub>B</sub> nm<sup>-2</sup>. The transformation was reproduced <i>ex situ</i> when heating at a temperature of 400 °C in a high vacuum chamber. Materials science ; Ferromagnetism ; Nanoparticle ; In situ ; Magnetic moment ; Nanoscopic scale ; Transformation (genetics) ; Crystallography ; Condensed matter physics ; Analytical Chemistry (journal) ; Nanotechnology ; Physics ; Chemistry Catalytic Processes in Materials Science ; Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics
Authors: Osman Doğan Yirmibeşoğlu | Leif Erik Simonsen | Robert H. Manson | Joseph R. Davidson | Katherine Healy | Yiğit Mengüç | Thomas J. Wallin
Source: Communications Materials (article, 2021-07-30)
Field: Materials Science — Materials Chemistry

Multi-material direct ink writing of photocurable elastomeric foams Abstract Developments in additive manufacturing have enabled the fabrication of soft machines that can safely interface with humans, creating new applications in soft robotics, wearable technologies, and haptics. However, designing custom inks for the 3D printing of soft materials with Young’s modulus less than 100 kPa remains a challenge due to highly coupled structure-property-process relationship in polymers. Here, we show a three-stage material chemistry process based on interpenetrating silicone double networks and ammonium bicarbonate particles that decouples the transient behavior during processing from the final properties of the material. Evaporation of ammonium bicarbonate particles at the final stage creates gaseous voids to produce foams with a low effective Young’s modulus in the 25 kPa −90 kPa range. Our photoirradiation-assisted direct ink writing system demonstrates the ability to maintain high resolution while enabling controlled loading of ammonium bicarbonate particles. The resultant multi-material possesses programmed porosity and related properties such as density, stiffness, Shore hardness, and ultimate strength in a monolithic object. Our multi-hardness synthetic hand and self-righting buoyant structure highlight these capabilities. Materials science ; Elastomer ; Composite material ; Polymer ; Soft robotics ; Silicone ; Porosity ; Polydimethylsiloxane ; Inkwell ; Shore durometer ; Ammonium bicarbonate ; 3D printing ; Stiffness ; Fabrication ; Modulus ; Nanotechnology ; Computer science ; Actuator Pickering emulsions and particle stabilization ; Advanced Sensor and Energy Harvesting Materials ; Electrospun Nanofibers in Biomedical Applications
Authors: William Z. Payne | Dmitry Kurouski
Source: Plant Methods (review, 2021-07-15)
Field: Chemistry — Analytical Chemistry

Raman spectroscopy enables phenotyping and assessment of nutrition values of plants: a review Our civilization has to enhance food production to feed world's expected population of 9.7 billion by 2050. These food demands can be met by implementation of innovative technologies in agriculture. This transformative agricultural concept, also known as digital farming, aims to maximize the crop yield without an increase in the field footprint while simultaneously minimizing environmental impact of farming. There is a growing body of evidence that Raman spectroscopy, a non-invasive, non-destructive, and laser-based analytical approach, can be used to: (i) detect plant diseases, (ii) abiotic stresses, and (iii) enable label-free phenotyping and digital selection of plants in breeding programs. In this review, we critically discuss the most recent reports on the use of Raman spectroscopy for confirmatory identification of plant species and their varieties, as well as Raman-based analysis of the nutrition value of seeds. We show that high selectivity and specificity of Raman makes this technique ideal for optical surveillance of fields, which can be used to improve agriculture around the world. We also discuss potential advances in synergetic use of RS and already established imaging and molecular techniques. This combinatorial approach can be used to reduce associated time and cost, as well as enhance the accuracy of diagnostics of biotic and abiotic stresses. Agriculture ; Raman spectroscopy ; Biochemical engineering ; Environmental science ; Biotechnology ; Computer science ; Population ; Abiotic component ; Agricultural engineering ; Nanotechnology ; Risk analysis (engineering) ; Materials science ; Biology ; Business ; Engineering ; Physics ; Ecology ; Medicine Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Date Palm Research Studies
Authors: Ali Umar | Muhammad Sufaid Khan | Sultan Alam | Ivar Zekker | Juris Burlakovs | Sergio Rubin | Gourav Dhar Bhowmick | A. Yu. Kallistova | Н. В. Пименов | Muhammad Zahoor
Source: Water (article, 2021-04-15)
Field: Chemistry — Organic Chemistry

Synthesis and Characterization of Pd-Ni Bimetallic Nanoparticles as Efficient Adsorbent for the Removal of Acid Orange 8 Present in Wastewater In this study palladium-nickel (Pd-Ni) nanoparticles supported on carbon and cerium oxide (Pd-Ni/AC-CeO2) were synthesized by a transfer phase method and characterized by scanning electronic microscopy (SEM), X-ray diffraction (XRD), and energy-dispersive X-ray spectroscopy (EDX). The XRD and SEM data concluded the presence of alloy formation between Pd and Ni. The synthesized particles were used as an adsorbent for removal of azo dye acid orange-8 (AO-8) from water and were found to be effective in removal (over 90% removal efficiency) of the selected dye. Different kinetics and equilibrium models were applied to calculate the adsorption parameters. The most suitable model that best fitted the equilibrium data was the Langmuir model and maximum adsorption capacities were 666.6, 714 and 769 mg/g at 293, 313 and 333 K, respectively, with R2 values closed to 1 while in the case of the kinetics data the best fit was obtained with a pseudo-second order kinetics model with a high R2 value. Furthermore, the adsorption thermodynamics parameters such as free energy, enthalpy, and entropy were calculated and the adsorption process was to found be exothermic with a value of ΔH° (−7.593 kJ mol−1), spontaneous as ΔG° values were negative (−18.7327, −19.4870, and −20.584 kJ/mol at 293, 313 and 333 K, respectively). A positive entropy change ΔS° with a value of 0.0384 kJ /mol K indicates increased disorder at the solid–solution interface during the adsorption process. An attempt was made to recycle the Pd-Ni/AC-CeO2 with suitable solvents and the recycled adsorbent was reused for 6 cycles with AO-8 removal efficiency up to 80%. Based on findings of the study, the synthesized adsorbent could effectively be used for the removal of other pollutants from wastewater, however, further studies are needed to prove the mechanisms. Adsorption ; Enthalpy ; Langmuir adsorption model ; Kinetics ; Materials science ; Bimetallic strip ; Gibbs free energy ; Nuclear chemistry ; Chemistry ; Analytical Chemistry (journal) ; Inorganic chemistry ; Physical chemistry ; Thermodynamics ; Metal ; Metallurgy ; Chromatography Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Environmental remediation with nanomaterials
Authors: L. V. Zhilitskaya | Bagrat А. Shainyan | N. О. Yarosh
Source: Molecules (review, 2021-04-10)
Field: Chemistry — Organic Chemistry

Modern Approaches to the Synthesis and Transformations of Practically Valuable Benzothiazole Derivatives The review is devoted to modern trends in the chemistry of 2-amino and 2-mercapto substituted benzothiazoles covering the literature since 2015. The reviewed heterocycles belong to biologically active and industrially demanded compounds. Newly developed synthesis methods can be divided into conventional multistep processes and one-pot, atom economy procedures, realized using green chemistry principles and simple reagents. The easy functionalization of the 2-NH<sub>2</sub> and 2-SH groups and the benzene ring of the benzothiazole moiety allows considering them as highly reactive building blocks for organic and organoelement synthesis, including the synthesis of pharmacologically active heterocycles. The review provides a summary of findings, which may be useful for developing new drugs and materials and new synthetic approaches and patterns of reactivity. Benzothiazole ; Atom economy ; Combinatorial chemistry ; Moiety ; Chemistry ; Reagent ; Ring (chemistry) ; Reactivity (psychology) ; Organic chemistry ; Organic synthesis ; Catalysis Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Titilope John Jayeoye | Fredrick Nwude Eze | Oladipupo Odunayo Olatunde | Sudarshan Singh | Jian Zuo | Opeyemi Joshua Olatunji
Source: International Journal of Nanomedicine (article, 2021-11-01)
Field: Materials Science — Materials Chemistry

Multifarious Biological Applications and Toxic Hg2+ Sensing Potentiality of Biogenic Silver Nanoparticles Based on Securidaca inappendiculata Hassk Stem Extract Overall, this work introduced a new stabilizer for biocompatible AgNPs with far-reaching applications. Zeta potential ; Silver nanoparticle ; Biocompatibility ; Nanoparticle ; Detection limit ; Dynamic light scattering ; Materials science ; Nanoprobe ; Chemistry ; Nanotechnology ; Fourier transform infrared spectroscopy ; Nuclear chemistry ; Chromatography ; Chemical engineering ; Organic chemistry Nanoparticles: synthesis and applications ; Heavy Metal Exposure and Toxicity ; Electrochemical Analysis and Applications
Authors: Mahsa Khorshidi | Saeid Asadpour | Narges Sarmast | Mohammad Dinari
Source: Journal of Molecular Liquids (review, 2021-12-28)
Field: Materials Science — Materials Chemistry

A review of the synthesis methods, properties, and applications of layered double hydroxides/carbon nanocomposites Nanocomposite ; Layered double hydroxides ; Nanomaterials ; Materials science ; Graphene ; Carbon fibers ; Nanotechnology ; Environmentally friendly ; Carbon nanotube ; Adsorption ; Composite material ; Composite number ; Chemistry ; Organic chemistry Layered Double Hydroxides Synthesis and Applications ; Supercapacitor Materials and Fabrication ; Advanced Photocatalysis Techniques
Authors: Peng Luo | Sha Bai | Xin Wang | Jing Zhao | Zhenning Yan | Ying‐Feng Han | Shuang‐Quan Zang | Thomas C. W. Mak
Source: Advanced Optical Materials (article, 2021-04-12)
Field: Materials Science — Materials Chemistry

Tuning the Magic Sizes and Optical Properties of Atomically Precise Bidentate N‐Heterocyclic Carbene‐Protected Gold Nanoclusters via Subtle Change of N‐Substituents Abstract Owing to the atomically precise structures, metal nanoclusters (NCs) have always served as model molecular tools to analyze NC surface chemistry and to investigate structure−property correlations. Herein, a series of bis‐N‐heterocyclic carbene (NHC)‐protected NCs of type [Au 11 (bis‐NHC) 5 ] 3+ and [Au 13 (bis‐NHC) 5 Br 2 ] 3+ obtained from direct reduction of Au−bis‐NHC complexes are described. The NCs type obtained depends on the N‐wingtip substituents of the Au−bis‐NHC complexes. Subtle changes in the lengths of the N‐wingtip substituents enable the fine‐tuning of the kernel with either Au 11 or Au 13 clusters. Among them, [Au 11 (bis‐NHC) 5 ] 3+ cluster is the first homoleptic NHC‐stabilized Au NC. The composition and structures of these NCs are unequivocally determined by single crystal X‐ray crystallography and electrospray ionization mass spectrometry. Contrary to the non‐emissive Au 11 cluster, the Au 13 NC exhibits high emission in solution and the luminescence properties are severely dependent onto the substituent effects. Additionally, peculiar Au⋯HC interactions are present in NHC‐protected clusters. Nanoclusters ; Carbene ; Homoleptic ; Denticity ; Cluster (spacecraft) ; Crystallography ; Materials science ; Luminescence ; Substituent ; Electrospray ionization ; Crystal structure ; Mass spectrometry ; Metal ; Chemistry ; Stereochemistry ; Nanotechnology ; Organic chemistry ; Catalysis Nanocluster Synthesis and Applications ; Catalytic Cross-Coupling Reactions ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Michalis Konsolakis | Maria Lykaki
Source: Catalysts (review, 2021-03-31)
Field: Materials Science — Materials Chemistry

Facet-Dependent Reactivity of Ceria Nanoparticles Exemplified by CeO2-Based Transition Metal Catalysts: A Critical Review The rational design and fabrication of highly-active and cost-efficient catalytic materials constitutes the main research pillar in catalysis field. In this context, the fine-tuning of size and shape at the nanometer scale can exert an intense impact not only on the inherent reactivity of catalyst’s counterparts but also on their interfacial interactions; it can also opening up new horizons for the development of highly active and robust materials. The present critical review, focusing mainly on our recent advances on the topic, aims to highlight the pivotal role of shape engineering in catalysis, exemplified by noble metal-free, CeO2-based transition metal catalysts (TMs/CeO2). The underlying mechanism of facet-dependent reactivity is initially discussed. The main implications of ceria nanoparticles’ shape engineering (rods, cubes, and polyhedra) in catalysis are next discussed, on the ground of some of the most pertinent heterogeneous reactions, such as CO2 hydrogenation, CO oxidation, and N2O decomposition. It is clearly revealed that shape functionalization can remarkably affect the intrinsic features and in turn the reactivity of ceria nanoparticles. More importantly, by combining ceria nanoparticles (CeO2 NPs) of specific architecture with various transition metals (e.g., Cu, Fe, Co, and Ni) remarkably active multifunctional composites can be obtained due mainly to the synergistic metalceria interactions. From the practical point of view, novel catalyst formulations with similar or even superior reactivity to that of noble metals can be obtained by co-adjusting the shape and composition of mixed oxides, such as Cu/ceria nanorods for CO oxidation and Ni/ceria nanorods for CO2 hydrogenation. The conclusions derived could provide the design principles of earth-abundant metal oxide catalysts for various real-life environmental and energy applications. Catalysis ; Reactivity (psychology) ; Materials science ; Transition metal ; Nanotechnology ; Nanoparticle ; Nanorod ; Context (archaeology) ; Noble metal ; Heterogeneous catalysis ; Chemical engineering ; Chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Catalysis and Hydrodesulfurization Studies
Authors: Ye Zhang | Yanyun Wang | Qi Zhou | Xiaoyong Chen | Wangbo Jiao | Galong Li | Mingli Peng | Xiaoli Liu | Yuan He | Haiming Fan
Source: ACS Applied Materials & Interfaces (article, 2021-10-29)
Field: Materials Science — Materials Chemistry

Precise Regulation of Enzyme–Nanozyme Cascade Reaction Kinetics by Magnetic Actuation toward Efficient Tumor Therapy Spatiotemporal regulation of multi-enzyme catalysis with stimuli is crucial in nature to meet different metabolic requirements but presents a challenge in artificial cascade systems. Here, we report a strategy for precise and tunable modulation of enzyme-nanozyme cascade reaction kinetics by remote magnetic stimulation. As a proof of concept, glucose oxidase (GOx) was immobilized onto a ferrimagnetic vortex iron oxide nanoring (Fe<sub>3</sub>O<sub>4</sub> NR) functionalized with poly(ethylene glycol) of different molecular weights to construct a series of Fe<sub>3</sub>O<sub>4</sub> NR@GOx with nanometer linking distances. The activities of GOx and the Fe<sub>3</sub>O<sub>4</sub> NR nanozyme in these systems were shown to be differentially stimulated by Fe<sub>3</sub>O<sub>4</sub> NR-mediated local heat in response to an alternating magnetic field (AMF), leading to modulated cascade reaction kinetics in a distance-dependent manner. Compared to the free GOx and Fe<sub>3</sub>O<sub>4</sub> NR mixture, Fe<sub>3</sub>O<sub>4</sub> NR(D2)@GOx with an optimum linking distance of 1 nm exhibits a superior kinetic match between GOx and the Fe<sub>3</sub>O<sub>4</sub> NR nanozyme and over a 400-fold higher cascade activity under AMF exposure. This enables remarkable intracellular reactive oxygen species production and significantly improved tumor inhibition of AMF-stimulated Fe<sub>3</sub>O<sub>4</sub> NR(D2)@GOx in 4T1 tumor-bearing mice. The strategy reported here offers a straightforward new tool for fine-tuning multi-enzyme catalysis at the molecular level using magnetic stimuli and holds great promise for use in a variety of biotechnology and synthetic biology applications. Glucose oxidase ; Cascade reaction ; Kinetics ; Cascade ; Materials science ; Catalysis ; Nanotechnology ; Combinatorial chemistry ; Biophysics ; Chemistry ; Biosensor ; Biochemistry ; Biology Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Nanoplatforms for cancer theranostics
Authors: Víctor Hevilla | Águeda Sonseca | Coro Echeverría | Alexandra Muñoz‐Bonilla | Marta Fernández‐García
Source: Macromolecular Bioscience (review, 2021-07-07)
Field: Materials Science — Biomaterials

Enzymatic Synthesis of Polyesters and Their Bioapplications: Recent Advances and Perspectives This article reviews the most important advances in the enzymatic synthesis of polyesters. In first place, the different processes of polyester enzymatic synthesis, i.e., polycondensation, ring opening, and chemoenzymatic polymerizations, and the key parameters affecting these reactions, such as enzyme, concentration, solvent, or temperature, are analyzed. Then, the latest articles on the preparation of polyesters either by direct synthesis or via modification are commented. Finally, the main bioapplications of enzymatically obtained polyesters, i.e., antimicrobial, drug delivery, or tissue engineering, are described. It is intended to point out the great advantages that enzymatic polymerization present to obtain polymers and the disadvantages found to develop applied materials. Polyester ; Condensation polymer ; Polymer ; Polymerization ; Chemistry ; Drug delivery ; Nanotechnology ; Combinatorial chemistry ; Organic chemistry ; Materials science ; Polymer science biodegradable polymer synthesis and properties ; Enzyme Catalysis and Immobilization ; Electrospun Nanofibers in Biomedical Applications
Authors: Yee Seng Tan | Chien Ing Yeo | Edward R. T. Tiekink | Peter J. Heard
Source: Inorganics (article, 2021-07-22)
Field: Chemistry — Organic Chemistry

Dithiocarbamate Complexes of Platinum Group Metals: Structural Aspects and Applications The incorporation of dithiocarbamate ligands in the preparation of metal complexes is largely prompted by the versatility of this molecule. Fascinating coordination chemistry can be obtained from the study of such metal complexes ranging from their preparation, the solid-state properties, solution behavior as well as their applications as bioactive materials and luminescent compounds, to name a few. In this overview, the dithiocarbamate complexes of platinum-group elements form the focus of the discussion. The structural aspects of these complexes will be discussed based upon the intriguing findings obtained from their solid- (crystallographic) and solution-state (NMR) studies. At the end of this review, the applications of platinum-group metal complexes will be discussed. Dithiocarbamate ; Platinum ; Platinum group ; Chemistry ; Metal ; Molecule ; Coordination complex ; Group (periodic table) ; Solid-state ; Combinatorial chemistry ; Inorganic chemistry ; Materials science ; Organic chemistry ; Physical chemistry ; Catalysis Organometallic Compounds Synthesis and Characterization ; Metal complexes synthesis and properties ; Crystal structures of chemical compounds
Authors: Mary Beth Wandel | Craig A. Bell | Jiayi Yu | Maria C. Arno | Nathan Z. Dreger | Yen‐Hao Hsu | Anaïs Pitto‐Barry | Joshua C. Worch | Andrew P. Dove | Matthew L. Becker
Source: Nature Communications (article, 2021-01-19)
Field: Materials Science — Biomaterials

Concomitant control of mechanical properties and degradation in resorbable elastomer-like materials using stereochemistry and stoichiometry for soft tissue engineering Complex biological tissues are highly viscoelastic and dynamic. Efforts to repair or replace cartilage, tendon, muscle, and vasculature using materials that facilitate repair and regeneration have been ongoing for decades. However, materials that possess the mechanical, chemical, and resorption characteristics necessary to recapitulate these tissues have been difficult to mimic using synthetic resorbable biomaterials. Herein, we report a series of resorbable elastomer-like materials that are compositionally identical and possess varying ratios of cis:trans double bonds in the backbone. These features afford concomitant control over the mechanical and surface eroding degradation properties of these materials. We show the materials can be functionalized post-polymerization with bioactive species and enhance cell adhesion. Furthermore, an in vivo rat model demonstrates that degradation and resorption are dependent on succinate stoichiometry in the elastomers and the results show limited inflammation highlighting their potential for use in soft tissue regeneration and drug delivery. Elastomer ; Materials science ; Regeneration (biology) ; Resorption ; Soft tissue ; Tissue engineering ; Polymerization ; Biomedical engineering ; Surface modification ; Biophysics ; Chemistry ; Composite material ; Polymer ; Surgery biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications ; Connective tissue disorders research