jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Faxing Wang | Panpan Zhang | Gang Wang | Ali Shaygan Nia | Minghao Yu | Xinliang Feng
Source: Small Science (article, 2021-10-24)
Field: Materials Science — Polymers and Plastics

Functional Electrolytes: Game Changers for Smart Electrochemical Energy Storage Devices Electrochemical energy storage (EES) devices integrated with smart functions are highly attractive for powering the next-generation electronics in the coming era of artificial intelligence. In this regard, exploiting functional electrolytes represents a viable strategy to realize smart functions in EES devices. In this review, recent advances in the development of functional electrolytes for smart EES devices like rechargeable batteries and supercapacitors are presented. Various stimulus-responsive electrolytes are first summarized, including temperature-, mechanical force-, voltage-, magnetism-, and light-responsive electrolytes. Emphasis is placed on the working principles of stimulus-responsive electrolytes and their specific problem-solving functions in EES devices. Then, the latest advances in electrochromic and self-healing electrolytes used for smart EES devices are discussed. Finally, key challenges and research opportunities related to functional electrolyte design and smart EES device development are envisioned, with the goal of accelerating further research in this thriving field. Supercapacitor ; Electrochromism ; Electrolyte ; Electronics ; Energy storage ; Computer science ; Nanotechnology ; Electrochemical energy conversion ; Electrochromic devices ; Electrochemical energy storage ; Materials science ; Electrical engineering ; Electrochemistry ; Engineering ; Chemistry ; Electrode Conducting polymers and applications ; Advanced Battery Materials and Technologies ; Supercapacitor Materials and Fabrication
Authors: Massoud Kaykhaii | Sayyed Hossein Hashemi | Fariba Andarz | Amin Piri | Ghasem Sargazi
Source: BMC Chemistry (article, 2021-11-06)
Field: Chemistry — Analytical Chemistry

Chromium-based metal organic framework for pipette tip micro-solid phase extraction: an effective approach for determination of methyl and propyl parabens in wastewater and shampoo samples The method showed a good detection limit and precision for determination of methyl- and propyl-paraben in wastewater and shampoo samples. Paraben ; Sorbent ; Detection limit ; Chromatography ; Extraction (chemistry) ; Shampoo ; Solid phase extraction ; Chromium ; Chemistry ; Wastewater ; Adsorption ; Repeatability ; Organic chemistry ; Preservative ; Environmental engineering Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Raena Morley | Mirjana Minceva
Source: Annual Review of Chemical and Biomolecular Engineering (review, 2021-04-13)
Field: Chemistry — Analytical Chemistry

Liquid–Liquid Chromatography: Current Design Approaches and Future Pathways Since its first appearance in the 1960s, solid support-free liquid-liquid chromatography has played an ever-growing role in the field of natural products research. The use of the two phases of a liquid biphasic system, the mobile and stationary phases, renders the technique highly versatile and adaptable to a wide spectrum of target molecules, from hydrophobic to highly polar small molecules to proteins. Generally considered a niche technique used only for small-scale preparative separations, liquid-liquid chromatography currently lags far behind conventional liquid-solid chromatography and liquid-liquid extraction in process modeling and industrial acceptance. This review aims to expose a broader audience to this high-potential separation technique by presenting the wide variety of available operating modes and solvent systems as well as structured, model-based design approaches. Topics currently offering opportunities for further investigation are also addressed. Chromatography ; Chemistry ; Liquid liquid ; Polar ; Solvent extraction ; Biochemical engineering ; Process engineering ; Extraction (chemistry) ; Engineering ; Physics Chromatography in Natural Products ; Analytical Chemistry and Chromatography ; Phytochemistry and biological activity of medicinal plants
Authors: A. S. Islam | Dean Sanders | Amit Kumar Mishra | Vijay Joshi
Source: Genes (article, 2021-12-17)
Field: Chemistry — Organic Chemistry

Genetic Diversity and Population Structure Analysis of the USDA Olive Germplasm Using Genotyping-By-Sequencing (GBS) Olives are one of the most important fruit and woody oil trees cultivated in many parts of the world. Olive oil is a critical component of the Mediterranean diet due to its importance in heart health. Olives are believed to have been brought to the United States from the Mediterranean countries in the 18th century. Despite the increase in demand and production areas, only a few selected olive varieties are grown in most traditional or new growing regions in the US. By understanding the genetic background, new sources of genetic diversity can be incorporated into the olive breeding programs to develop regionally adapted varieties for the US market. This study aimed to explore the genetic diversity and population structure of 90 olive accessions from the USDA repository along with six popular varieties using genotyping-by-sequencing (GBS)-generated SNP markers. After quality filtering, 54,075 SNP markers were retained for the genetic diversity analysis. The average gene diversity (GD) and polymorphic information content (PIC) values of the SNPs were 0.244 and 0.206, respectively, indicating a moderate genetic diversity for the US olive germplasm evaluated in this study. The structure analysis showed that the USDA collection was distributed across seven subpopulations; 63% of the accessions were grouped into an identifiable subpopulation. The phylogenetic and principal coordinate analysis (PCoA) showed that the subpopulations did not align with the geographical origins or climatic zones. An analysis of the molecular variance revealed that the major genetic variation sources were within populations. These findings provide critical information for future olive breeding programs to select genetically distant parents and facilitate future gene identification using genome-wide association studies (GWAS) or a marker-assisted selection (MAS) to develop varieties suited to production in the US. Germplasm ; Genetic diversity ; Biology ; Analysis of molecular variance ; Population ; Biotechnology ; Genetic variation ; Genotyping ; Domestication ; Genetic structure ; Botany ; Genetics ; Genotype ; Gene Edible Oils Quality and Analysis ; Genetic diversity and population structure ; Horticultural and Viticultural Research
Authors: Hussein A. Miran | Zainab N. Jaf | Mohammednoor Altarawneh | Zhong‐Tao Jiang
Source: Molecules (review, 2021-10-27)
Field: Materials Science — Materials Chemistry

An Insight into Geometries and Catalytic Applications of CeO2 from a DFT Outlook Rare earth metal oxides (REMOs) have gained considerable attention in recent years owing to their distinctive properties and potential applications in electronic devices and catalysts. Particularly, cerium dioxide (CeO<sub>2</sub>), also known as ceria, has emerged as an interesting material in a wide variety of industrial, technological, and medical applications. Ceria can be synthesized with various morphologies, including rods, cubes, wires, tubes, and spheres. This comprehensive review offers valuable perceptions into the crystal structure, fundamental properties, and reaction mechanisms that govern the well-established surface-assisted reactions over ceria. The activity, selectivity, and stability of ceria, either as a stand-alone catalyst or as supports for other metals, are frequently ascribed to its strong interactions with the adsorbates and its facile redox cycle. Doping of ceria with transition metals is a common strategy to modify the characteristics and to fine-tune its reactive properties. DFT-derived chemical mechanisms are surveyed and presented in light of pertinent experimental findings. Finally, the effect of surface termination on catalysis by ceria is also highlighted. Catalysis ; Cerium ; Materials science ; Nanotechnology ; Redox ; Transition metal ; Cerium oxide ; Metal ; Chemistry ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Copper-based nanomaterials and applications ; Nanomaterials for catalytic reactions
Authors: Hongguang Shen | Ashkan Abtahi | Björn Lüssem | Bryan W. Boudouris | Jianguo Mei
Source: ACS Applied Electronic Materials (article, 2021-06-09)
Field: Materials Science — Polymers and Plastics

Device Engineering in Organic Electrochemical Transistors toward Multifunctional Applications Organic electrochemical transistors (OECTs) have been widely researched for the next-generation electronic building blocks because of their unique property that combines highly efficient signal transduction with amplification in a single device. By virtue of materials engineering and interfacial modification, multifunctional OECTs have been reported for biological sensing, physiological signal recording, and neuromorphic processing applications. With these significant advancements, it is beneficial to reveal universal device engineering guidelines such that OECTs can be readily tailored to satisfy the specific needs of each application. In this perspective, we systematically discuss the key physical processes that influence OECT operation, which includes both steady state and transient responses. These discussions reveal the important role of fine-tuning the OECT active materials, interfacial properties, and device structures to manipulate their charge transport properties for multifunctional applications. Finally, we also share our perspectives on a few hurdles as the community moves to transform OECTs from laboratory ideas into real-world technologies. Neuromorphic engineering ; Nanotechnology ; Transistor ; Computer science ; Materials science ; Electronics ; Biochemical engineering ; Electrical engineering ; Engineering ; Artificial intelligence ; Voltage Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Advanced Memory and Neural Computing
Authors: Ana Gasco-Owens | Delphine Veys‐Renaux | Vincent Cartigny | Emmanuel Rocca
Source: Electrochimica Acta (article, 2021-04-08)
Field: Materials Science — Materials Chemistry

Large-pores anodizing of 5657 aluminum alloy in phosphoric acid: an in-situ electrochemical study Anodizing ; Electrochemistry ; Electrolyte ; Materials science ; Phosphoric acid ; Alloy ; Aluminium ; Dissolution ; Chemical engineering ; Anode ; Metallurgy ; Layer (electronics) ; Electrode ; Nanotechnology ; Chemistry Anodic Oxide Films and Nanostructures ; Concrete Corrosion and Durability ; Smart Materials for Construction
Authors: Graham S. Collier | Riley Wilkins | Aimée L. Tomlinson | John R. Reynolds
Source: Macromolecules (article, 2021-02-05)
Field: Materials Science — Polymers and Plastics

Exploring Isomeric Effects on Optical and Electrochemical Properties of Red/Orange Electrochromic Polymers Subtle structural changes in monomeric building blocks can have an immense effect, whether positive or detrimental, on the resulting properties of conjugated polymers. With this in mind, it is paramount to understand structure–property relationships that serve as the guiding principles for manipulating optical and electrochemical characteristics. Herein, a family of dialkylthiophene-co-propylenedioxythiophene copolymers are synthesized via direct arylation polymerizations, with a key design motif being minimal changes in the structural composition of the propylenedioxythiophene comonomer. Variation in the substitution pattern on the propylene bridge provides insights into the role of stereo- and compositional isomers on the resulting polymer properties. Specifically, time-dependent density functional theory calculations reveal changes in the number and placement of comonomers with varying composition and stereocenters, impacting the calculated absorbance spectra, as evident from calculated absorbance maxima spanning 75 nm, which ultimately manifests in differences in the calculated color. Experimentally, UV–vis absorbance spectroscopy and colorimetry reveal a dependence on the stereo- and regiospecificity, while electrochromic properties, such as contrast and switching times, are not drastically affected by the substitution patterns. Independent of position and functionality, each polymer exhibited a transmittance change greater than 65% at the maximum absorbance wavelength while maintaining the ability to rapidly switch between colored and transmissive states in organic electrolytes. This work highlights how subtle structural changes can manipulate and optimize optical features without sacrificing electrochromic properties such as kinetic switching time and optical contrast. In addition to fundamental insights into monomeric design of propylenedioxythiophene building blocks and their optical and redox characteristics, the results provide an additional structural handle for fine-tuning the observed color of electrochromic polymers. Electrochromism ; Absorbance ; Polymer ; Monomer ; Materials science ; Chemistry ; Transmittance ; Electrode ; Organic chemistry ; Optoelectronics ; Physical chemistry Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Organic Electronics and Photovoltaics
Authors: Yantong Lu | Shuo Wang | Kuangli Yu | Jiulong Yu | Dian Zhao | Chunxia Li
Source: Microporous and Mesoporous Materials (article, 2021-03-29)
Field: Chemistry — Inorganic Chemistry

Encapsulating carbon quantum dot and organic dye in multi-shell nanostructured MOFs for use in white light-emitting diode Luminescence ; Phosphor ; Materials science ; Optoelectronics ; Quantum dot ; Light-emitting diode ; Rhodamine B ; Diode ; Nanocomposite ; Shell (structure) ; Nanotechnology ; Chemistry ; Photocatalysis ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials ; Covalent Organic Framework Applications
Authors: Jieyun Wu | Chunlan Tang | Wanying Zhang | Xiaoxia Ma | Shi‐Wei Qu | Kaixin Chen | Ting Hao | Kin Seng Chiang
Source: Nanophotonics (article, 2021-07-19)
Field: Chemistry — Inorganic Chemistry

Lab on optical fiber: surface nano‐functionalization for real‐time monitoring of VOC adsorption/desorption in metal‐organic frameworks Abstract Metal‐organic framework (MOF) nanomaterials are emerging porous coordinative polymers with large surface area and high porosity. Their application scenarios highly depend on adsorption/desorption dynamics of guest molecules in the framework. For representative ZIF‐8 with framework flexibility, the study of molecule transportation in the pore channels of ZIF‐8 will address the ambiguity of unclear application scenarios. In this study, the integration of lab‐on‐fiber technology and nanotechnology are demonstrated for real‐time monitoring of adsorption/desorption dynamics of heterocyclic volatile compounds (VOCs) with kinetic diameters larger than the window aperture of ZIF‐8. The in‐line fiber interferometer with cascaded long‐period gratings is used to monitor the real‐time refractive index change of VOC adsorption/desorption. The structure‐effect relationship between guest VOCs and framework flexibility is analyzed. It shows that the adsorption dynamics is highly related to the molecular geometry and kinetic diameter. The framework flexibility results in the trapping of guest VOCs toluene, pyridine, and tetrahydrofuran in the frameworks. The methanol adsorption/desorption is an effective strategy for the fast desorption of trapped residual VOCs in the framework. Finally, we conceptually demonstrated the real‐time monitoring of trace toluene enrichment using ZIF‐8 for indoor air purification. This study paves the way for the in‐depth understanding of framework flexibility for MOF’s application. Metal-organic framework ; Adsorption ; Desorption ; Nanomaterials ; Materials science ; Chemical engineering ; Nanotechnology ; Porosity ; Chemistry ; Organic chemistry ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Dendrimers and Hyperbranched Polymers
Authors: Jamie A. Leitch | Harry R. Smallman | Duncan L. Browne
Source: The Journal of Organic Chemistry (article, 2021-07-14)
Field: Materials Science — Materials Chemistry

Solvent-Minimized Synthesis of 4CzIPN and Related Organic Fluorophores via Ball Milling The mechanochemical synthesis of 2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile and related organic fluorophores/photocatalysts via a solvent-minimized four-fold S<sub>N</sub>Ar pathway is herein described. Employing sodium <i>tert</i>-butoxide as base, and negating the need for any air/moisture-sensitive reaction set-ups, a selection of organic dyes was synthesized in just 1 h using this ball-milling technique. Furthermore, the transformation was then showcased on a multigram scale. Ball mill ; Solvent ; Organic synthesis ; Organic solvent ; Chemistry ; Nucleophilic aromatic substitution ; Base (topology) ; Mechanochemistry ; Ball (mathematics) ; Organic chemistry ; Chemical engineering ; Combinatorial chemistry ; Materials science ; Nucleophilic substitution ; Catalysis Luminescence and Fluorescent Materials ; Radical Photochemical Reactions ; Crystallography and molecular interactions
Authors: Rubén Caballero | Boiko Cohen | Mario Gutiérrez
Source: Molecules (review, 2021-12-17)
Field: Materials Science — Materials Chemistry

Thiophene-Based Covalent Organic Frameworks: Synthesis, Photophysics and Light-Driven Applications Porous crystalline materials, such as covalent organic frameworks (COFs), have emerged as some of the most important materials over the last two decades due to their excellent physicochemical properties such as their large surface area and permanent, accessible porosity. On the other hand, thiophene derivatives are common versatile scaffolds in organic chemistry. Their outstanding electrical properties have boosted their use in different light-driven applications (photocatalysis, organic thin film transistors, photoelectrodes, organic photovoltaics, etc.), attracting much attention in the research community. Despite the great potential of both systems, porous COF materials based on thiophene monomers are scarce due to the inappropriate angle provided by the latter, which hinders its use as the building block of the former. To circumvent this drawback, researchers have engineered a number of thiophene derivatives that can form part of the COFs structure, while keeping their intrinsic properties. Hence, in the present minireview, we will disclose some of the most relevant thiophene-based COFs, highlighting their basic components (building units), spectroscopic properties and potential light-driven applications. Thiophene ; Nanotechnology ; Materials science ; Photocatalysis ; Covalent bond ; Porosity ; Photovoltaics ; Chemistry ; Photovoltaic system ; Organic chemistry ; Catalysis ; Engineering Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Antonio J. Capezza | Faraz Muneer | Thomas Prade | William R. Newson | Oisik Das | Malin Lundman | Richard T. Olsson | Mikael S. Hedenqvist | Eva Johansson
Source: Communications Chemistry (article, 2021-04-13)
Field: Materials Science — Biomaterials

Acylation of agricultural protein biomass yields biodegradable superabsorbent plastics Superabsorbent polymers (SAP) are a central component of hygiene and medical products requiring high liquid swelling, but these SAP are commonly derived from petroleum resources. Here, we show that sustainable and biodegradable SAP can be produced by acylation of the agricultural potato protein side-stream (PPC) with a non-toxic dianhydride (EDTAD). Treatment of the PPC yields a material with a water swelling capacity of ca. 2400%, which is ten times greater than the untreated PPC. Acylation was also performed on waste potato fruit juice (PFJ), i.e. before the industrial treatment to precipitate the PPC. The use of PFJ for the acylation implies a saving of 320 000 tons as CO<sub>2</sub> in greenhouse gas emissions per year by avoiding the industrial drying of the PFJ to obtain the PPC. The acylated PPC shows biodegradation and resistance to mould growth. The possibilities to produce a biodegradable SAP from the PPC allows for future fabrication of environment-friendly and disposable daily-care products, e.g. diapers and sanitary pads. Biodegradation ; Acylation ; Superabsorbent polymer ; Biomass (ecology) ; Agriculture ; Chemistry ; Waste management ; Environmental science ; Pulp and paper industry ; Organic chemistry ; Polymer ; Agronomy ; Engineering ; Biology biodegradable polymer synthesis and properties ; Natural Fiber Reinforced Composites ; Electrospun Nanofibers in Biomedical Applications
Authors: Jaume Ramon Otaegui | Daniel Ruiz‐Molina | Loredana Latterini | Jordi Hernando | Claudio Roscini
Source: Materials Horizons (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Thermoresponsive multicolor-emissive materials based on solid lipid nanoparticles Despite the recent advances in the field of thermofluorochromism, the fabrication of thermoresponsive multicolor-emissive materials in a simple, low-cost and versatile manner still remains a challenge. Materials science ; Nanotechnology ; Nanoscopic scale ; Luminescence ; Fabrication ; Nanoparticle ; Nanocomposite ; Solid-state ; Optoelectronics ; Chemistry Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications
Authors: Tobias Bauer | Jan Imschweiler | Christian Muhl | Benjamin Weber | Matthias Barz
Source: Biomacromolecules (article, 2021-04-08)
Field: Materials Science — Biomaterials

Secondary Structure-Driven Self-Assembly of Thiol-Reactive Polypept(o)ides Secondary structure formation differentiates polypeptides from most of the other synthetic polymers, and the transitions from random coils to rod-like α-helices or β-sheets represent an additional parameter to direct self-assembly and the morphology of nanostructures. We investigated the influence of distinct secondary structures on the self-assembly of reactive amphiphilic polypept(o)ides. The individual morphologies can be preserved by core cross-linking via chemoselective disulfide bond formation. A series of thiol-responsive copolymers of racemic polysarcosine-<i>block</i>-poly(<i>S</i>-ethylsulfonyl-dl-cysteine) (pSar-<i>b</i>-p(dl)Cys), enantiopure polysarcosine-<i>block</i>-poly(<i>S</i>-ethylsulfonyl-l-cysteine) (pSar-<i>b</i>-p(l)Cys), and polysarcosine-<i>block</i>-poly(<i>S</i>-ethylsulfonyl-l-homocysteine) (pSar-<i>b</i>-p(l)Hcy) was prepared by <i>N</i>-carboxyanhydride polymerization. The secondary structure of the peptide segment varies from α-helices (pSar-<i>b</i>-p(l)Hcy) to antiparallel β-sheets (pSar-<i>b</i>-p(l)Cys) and disrupted β-sheets (pSar-<i>b</i>-p(dl)Cys). When subjected to nanoprecipitation, copolymers with antiparallel β-sheets display the strongest tendency to self-assemble, whereas disrupted β-sheets hardly induce aggregation. This translates to worm-like micelles, solely spherical micelles, or ellipsoidal structures, as analyzed by atomic force microscopy and cryogenic transmission electron microscopy, which underlines the potential of secondary structure-driven self-assembly of synthetic polypeptides. Antiparallel (mathematics) ; Copolymer ; Chemistry ; Pentamer ; Micelle ; Protein secondary structure ; Cysteine ; Amphiphile ; Polymer chemistry ; Self-assembly ; Transmission electron microscopy ; Polymerization ; Polymer ; Crystallography ; Materials science ; Nanotechnology ; Organic chemistry ; Biochemistry ; Aqueous solution Supramolecular Self-Assembly in Materials ; Polymer Surface Interaction Studies ; Chemical Synthesis and Analysis