jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Muhammad Shalahuddin Al Ja’farawy | Dinakaran Thirumalai | Jaewon Lee | Ho Sang Jung | Seung‐Cheol Chang | Jang‐Hee Yoon | Dong‐Ho Kim
Source: Journal of Analytical Science & Technology (article, 2023-07-04)
Field: Materials Science — Materials Chemistry

Graphene quantum dot nanocomposites: electroanalytical and optical sensor technology perspective Abstract Electroanalytical and optical techniques are widely used in the development of nanomaterials-based sensor platforms. These techniques have a quick response, high sensitivity, and selectivity. Electroanalytical and optical techniques are widely used in the development of nanomaterial-based sensor platforms. These sensors must be able to detect biomarkers, pathogens, toxins, and pharmaceuticals in biological matrices associated with cardiovascular disease, cancer, and neurodegenerative diseases. Considering these pathophysiologies, numerous investigations have been undertaken to develop sensors for early diagnosis and treatment, utilizing nanomaterials such as quantum dots. Graphene quantum dots (GQDs), which are ideally nanometer-sized graphene fragments, have recently received increased attention due to their excellent physicochemical properties such as fast electron mobility, photostability, water solubility, biocompatibility, high specific surface area, and nontoxicity. Apart from the properties mentioned above, GQDs provide π – π interactions, electrostatic, and covalent interactions with an analyte, and ease of synthesis as well as the ability to combine with other nanomaterials, which have enabled their use in various sensing platforms. This review summarizes recent advances in GQDs-based nanocomposites for sensor applications, with a focus on electroanalytical and optical techniques, as well as current challenges and future prospects. Nanomaterials ; Nanotechnology ; Graphene ; Quantum dot ; Materials science ; Nanocomposite ; Graphene quantum dot Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques ; Quantum Dots Synthesis And Properties
Authors: Xiaolin Zhang | Mamitiana Roger Razanajatovo | Xuedong Du | Shuo Wang | Feng Li | Shunli Wan | Ningyi Chen | Qingrui Zhang
Source: Eco-Environment & Health (review, 2023-09-20)
Field: Materials Science — Surfaces, Coatings and Films

Well-designed protein amyloid nanofibrils composites as versatile and sustainable materials for aquatic environment remediation: A review Amyloid nanofibrils (ANFs) are supramolecular polymers originally classified as pathological markers in various human degenerative diseases. However, in recent years, ANFs have garnered greater interest and are regarded as nature-based sustainable biomaterials in environmental science, material engineering, and nanotechnology. On a laboratory scale, ANFs can be produced from food proteins via protein unfolding, misfolding, and hydrolysis. Furthermore, ANFs have specific structural characteristics such as a high aspect ratio, good rigidity, chemical stability, and a controllable sequence. These properties make them a promising functional material in water decontamination research. As a result, the fabrication and application of ANFs and their composites in water purification have recently gained considerable attention. Despite the large amount of literature in this field, there is a lack of systematic review to assess the gap in using ANFs and their composites to remove contaminants from water. This review discusses significant advancements in design techniques as well as the physicochemical properties of ANFs-based composites. We also emphasize the current progress in using ANFs-based composites to remove inorganic, organic, and biological contaminants. The interaction mechanisms between ANFs-based composites and contaminants are also highlighted. Finally, we illustrate the challenges and opportunities associated with the future preparation and application of ANFs-based composites. We anticipate that this review will shed new light on the future design and use of ANFs-based composites. Nanotechnology ; Materials science ; Environmental remediation ; Contamination Polymer Surface Interaction Studies ; Carbon and Quantum Dots Applications ; Graphene and Nanomaterials Applications
Authors: Pongphun Sukum | Winita Punyodom | S. Dangtip | Pipath Poramapijitwat | Donraporn Daranarong | Thannaphat Jenvoraphot | Mudtorlep Nisoa | Chakkrapong Kuensaen | Dheerawan Boonyawan
Source: Polymers (article, 2023-06-02)
Field: Materials Science — Biomaterials

Argon Plasma Jet-Treated Poly (Vinyl Alcohol)/Chitosan and PEG 400 Plus Mangifera indica Leaf Extract for Electrospun Nanofiber Membranes: In Vitro Study The wound-healing process can be disrupted at any stage due to various internal and external factors. The inflammatory stage of the process plays a vital role in determining the outcome of the wound. Prolonged inflammation due to bacterial infection can lead to tissue damage, slow healing, and complications. Wound dressings made using materials such as poly (vinyl alcohol) (PVA), chitosan (CS), and poly (ethylene glycol) (PEG) with Mangifera extract (ME) added can help reduce infection and inflammation, creating a conducive environment for faster healing. However, creating the electrospun membrane is challenging due to balancing various forces such as rheological behavior, conductivity, and surface tension. To improve the electrospinnability of the polymer solution, an atmospheric pressure plasma jet can induce chemistry in the solution and increase the polarity of the solvent. Thus, this research aims to investigate the effect of plasma treatment on PVA, CS, and PEG polymer solutions and fabricate ME wound dressing via electrospinning. The results indicated that increasing plasma treatment time increased the viscosity of the polymer solution, from 269 mPa∙to 331 mPa∙s after 60 min, and led to an increase in conductivity from 298 mS/cm to 330 mS/cm and an increase in nanofiber diameter from 90 ± 40 nm to 109 ± 49 nm. Incorporating 1% mangiferin extract into an electrospun nanofiber membrane has been found to increase the inhibition rates of <i>Escherichia coli</i> and <i>Staphylococcus aureus</i> by 29.2% and 61.2%, respectively. Additionally, the fiber diameter decreases when compared with the electrospun nanofiber membrane without ME. Our findings demonstrate that electrospun nanofiber membrane with ME has anti-infective properties and can promote faster wound healing. Vinyl alcohol ; Nanofiber ; Materials science ; Electrospinning ; PEG ratio ; Membrane ; Polymer ; Wound healing ; Ethylene glycol ; Chemical engineering ; Polyvinyl alcohol ; Polymer chemistry ; Chemistry ; Composite material ; Surgery Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Diabetic Foot Ulcer Assessment and Management
Authors: Xiaojie Cheng | Xiaojian Qin | Zhenglun Su | Xun Gou | Zhaomei Yang | Hongshan Wang
Source: Nanomaterials (article, 2023-07-20)
Field: Materials Science — Materials Chemistry

Research on the Antibacterial Properties of MXene-Based 2D–2D Composite Materials Membrane Novel MXene-based two-dimensional (2D) membranes are widely used for water purification due to their highly controllable structure and antibacterial properties. However, in the process of membrane separation, the problems of membrane fouling, especially biological fouling, limits the further application of MXene-based membranes. In this study, in order to improve the antibacterial and separation properties of membranes, three kinds of MXene-based 2D-2D composite membranes (M2~M4) were prepared using polyethersulfone (PES) as the substrate, which were GO@MXene, O-g-C<sub>3</sub>N<sub>4</sub>@MXene and BiOCl@MXene composite membranes respectively. The results showed that the antibacterial activity of M2~M4 against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i> was further improved, especially the antibacterial ratio of M4 against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i> was up to 50% and 82.4%, respectively. By comparing the surface morphology of MXene membrane and modified membrane treated bacteria through scanning electron microscopy (SEM), it was found that the cell density on modified membrane was significantly lower than that of pure MXene membrane. Membrane ; Antibacterial activity ; Materials science ; Chemical engineering ; Composite number ; Scanning electron microscope ; Fouling ; Substrate (aquarium) ; Escherichia coli ; Chemistry ; Bacteria ; Composite material ; Biology ; Biochemistry MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Advanced biosensing and bioanalysis techniques
Authors: C. Backiyalakshmi | C. Babu | Santosh Deshpande | Mahalingam Govindaraj | Rajeev Gupta | R. Sudhagar | Dagunapur Naresh | S. Anitha | Ovais Peerzada | Sobhan B. Sajja | Kuldeep Singh | Mani Vetriventhan
Source: Crop Science (article, 2023-08-25)
Field: Chemistry — Analytical Chemistry

Characterization of finger millet global germplasm diversity panel for grain nutrients content for utilization in biofortification breeding Abstract Finger millet ( Eleusine coracana L.) is a versatile dryland crop known for its high calcium (Ca) content. Estimating the variability for grain nutrients in diverse germplasm is important for developing biofortified cultivars. A finger millet diversity panel consisting of 310 accessions and four controls was evaluated in two rainy seasons at International Crops Research Institute for the Semi‐Arid Tropics, Hyderabad, India, to assess variability for grain nutrient content and its association with agronomic traits and identify promising accessions. Inductively coupled plasma optical emission electrometry was used to analyze grain nutrients content, and the protein content was estimated from the total nitrogen content of the finger millet grains using the sulfuric acid–selenium digestion method. Highly significant variability was found for all the grain nutrients and was significantly influenced by the genotype, environment, and their interactions. Grain nutrients showed a significant relationship between the 2 years ( R 2 = 0.06 for phosphorus to 0.60 for Ca, p ≥ 0.001). A nonsignificant correlation between grain yield and Ca was noticed among accessions within landraces, breeding lines, and accessions from Asia, while this correlation was significantly negative among accessions from Africa and in the entire set. The estimated percent daily values indicated that the consumption of 100 g of finger millet grains could potentially contribute to the recommended dietary allowance of up to 49% Ca, 52% magnesium, 23% protein, 23% iron, and 26% zinc. This study provides valuable insights into the variability in the finger millet germplasm, and identified grain nutrient dense accessions, that could be used in finger millet improvement to develop the biofortified cultivars. Eleusine ; Germplasm ; Biology ; Biofortification ; Agronomy ; Nutrient ; Cultivar ; Crop ; Finger millet ; Micronutrient Heavy Metals in Plants ; Banana Cultivation and Research ; Leaf Properties and Growth Measurement
Authors: Qining Wang | Jiaxin Duan | Timothy A. Goetjen | Joseph T. Hupp | Justin M. Notestein
Source: Journal of Catalysis (article, 2023-04-17)
Field: Chemistry — Inorganic Chemistry

Bimetallic NiCu catalysts supported on a Metal-Organic framework for Non-oxidative ethanol dehydrogenation Dehydrogenation ; Catalysis ; Chemistry ; Bimetallic strip ; Acetaldehyde ; Selectivity ; Raw material ; Inorganic chemistry ; Ethanol ; Oxidative phosphorylation ; Chemical engineering ; Metal-organic framework ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Catalysis for Biomass Conversion ; Carbon dioxide utilization in catalysis
Authors: Akira Matsumoto | Keiji Maruoka
Source: Asian Journal of Organic Chemistry (article, 2023-12-22)
Field: Chemistry — Organic Chemistry

Design of Organic Radical Cations as Potent Hydrogen‐Atom Transfer Catalysts for C−H Functionalization Abstract Hydrogen‐atom transfer (HAT) catalysis offers an atom‐ and step‐economical approach to the direct functionalization of aliphatic C−H bonds. While the structure of HAT catalysts largely affects the reactivity and selectivity in the step where the C−H bond is cleaved, the choice of viable catalysts for HAT from strong C−H bonds is limited. The recent development of organic HAT catalysts based on the flexibly modifiable molecular platform has enabled fine‐tuning of the steric and electronic properties of these catalysts, thus greatly expanding their structural diversity. This review focuses on the design of HAT catalysts with cationic moieties as common structural motifs and their application to the selective manipulation of the C−H bonds of challenging substrates, including unactivated hydrocarbons. Chemistry ; Catalysis ; Steric effects ; Surface modification ; Reactivity (psychology) ; Cationic polymerization ; Hydrogen atom ; Hydrogen bond ; Selectivity ; Combinatorial chemistry ; Photochemistry ; Stereochemistry ; Organic chemistry ; Molecule ; Physical chemistry ; Group (periodic table) Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; CO2 Reduction Techniques and Catalysts
Authors: Zhenghao Wu | Subhadeep Pal | Sinan Keten
Source: Macromolecules (article, 2023-04-18)
Field: Materials Science — Polymers and Plastics

Implicit Chain Particle Model for Polymer-Grafted Nanoparticles Matrix-free nanocomposites made from polymer-grafted nanoparticles (PGN) represent a paradigm shift in materials science because they greatly improve nanoparticle dispersion and offer greater tunability over rheological and mechanical properties in comparison to neat polymers. Utilizing the full potential of PGNs requires a deeper understanding of how polymer graft length, density, and chemistry influence interfacial interactions between particles. There has been great progress in describing these effects with molecular dynamics (MD). However, the limitations of the length and time scales of MD make it prohibitively costly to study systems involving more than a few PGNs, even with bead–spring coarse-grained models. Moreover, it remains unclear how to properly address shortcomings of these models in describing the rate-dependent constitutive response of polymers in a chemistry-specific fashion. Here, we address some of these challenges by proposing a new modeling paradigm for PGNs using a strain-energy mapping framework involving potential of mean force (PMF) calculations. In this approach, each nanoparticle is coarse grained into a representative particle with chains treated implicitly, namely, the implicit chain particle model (ICPM). Using a chemistry-specific coarse-grained molecular dynamics (CG-MD) model of poly(methyl methacrylate) as a testbed, we derive the effective interaction between particles arranged in a close-packed lattice configuration by matching bulk dilation and compression strain-energy densities up to failure. We establish an iterative optimization scheme to fine tune PMFs in the ICPM to accurately match the stress–strain behaviors during dilation and compression tests. The strain-rate dependence of the mechanical work done is quantified to reveal that the interparticle potential can be expressed with a strain-rate-dependent energy well depth that culminates in a simple power-law Cowper–Symonds strain hardening model. Given the aggressive degree of coarse graining (∼1:10 000) involved, the scope and limitations of the ICPM are cautiously discussed. Overall, the ICPM increases the computational speed by approximately 5–6 orders of magnitude compared to the CG-MD models. This novel framework is foundational for particle-based simulations of PGNs and their blends and accelerates the understanding and predictions of emergent properties of PGN materials. Polymer ; Molecular dynamics ; Nanoparticle ; Materials science ; Rheology ; Particle (ecology) ; Statistical physics ; Multiscale modeling ; Nanotechnology ; Chemical physics ; Chemistry ; Composite material ; Computational chemistry ; Physics Polymer crystallization and properties ; Polymer Nanocomposites and Properties ; Composite Material Mechanics
Authors: Bhupendra P. Mali | Soumya Ranjan Dash | Mari Annadhasan | Anupam Biswas | K. Manoj | Kumar Vanka | Rajesh G. Gonnade
Source: Crystal Growth & Design (article, 2023-06-07)
Field: Materials Science — Materials Chemistry

Cocrystal Approach to Modulate the Photoluminescent Properties of a GFP Chromophore Analogue: Role of Halogen/Hydrogen Bonding in Achieving a Wide Range of Solid-State Fluorescence Emissions Fine-tuning the photophysical properties of fluorescent organic solids is essential to attain multicolor displays and meet the demand for futuristic light-emitting materials. Here, we report the tunable luminescence of a green fluorescent protein (GFP) chromophore analogue, 3,4,5-TIA (A), based on the formation of two-component molecular cocrystals with six different coformers. Coformers selected to synthesize the binary cocrystals include 1,4-diiodotetrafluorobenzene (B), perfluoronaphthalene (C), 1,4-dibromotetrafluorobenzene (D), 2,3,5,6-tetrafluoroterephthalic acid (E), benzene-1,2,4,5-tetracarbonitrile (F), and benzene-1,2,4,5-tetracarboxylic acid (G). Interestingly, the cocrystals A•C and A•F showed molecular crystal polymorphism with a slight variation in fluorescence, revealing an aggregation-induced emission (AIE). A crystal structure analysis showed the interplay of hydrogen bonding, halogen bonding, and aromatic π-stacking interactions in associating neutral solid components in the cocrystal. All of the novel cocrystals displayed a wide range of photoluminescence ranging from blue to dark orange. The time-dependent density functional theory (TD-DFT) calculations indicate the changes in the energy level structures (HOMO to LUMO) in cocrystals that resulted in variations in fluorescence emission. The study aims to further understand the structure–property relationship between molecular arrangement and photoluminescence. Cocrystal ; Chromophore ; Fluorescence ; Photoluminescence ; Photochemistry ; Stacking ; Hydrogen bond ; Crystal engineering ; Chemistry ; Luminescence ; Acceptor ; Crystallography ; Crystal structure ; Materials science ; Supramolecular chemistry ; Molecule ; Organic chemistry Luminescence and Fluorescent Materials ; Crystallography and molecular interactions ; Molecular Sensors and Ion Detection
Authors: Xiaoyang Xu | Meiyan Liu | Chenglong Li | Xuguang Liu
Source: Chinese Journal of Organic Chemistry (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Recent Advance of 1,2-BN Heteroaromatics in China Polycyclic aromatic hydrocarbons (PAHs) and their derivatives are widely used in the field of organic optoelectronic materials, and the photophyscial properties of polycyclic aromatic hydrocarbons can be effectively modified by heteroatomic doping.By replacing carbon carbon (CC) units with an isoelectronic and isostructural boron nitrogen (BN) units, the electronic structure and intermolecular interactions of PAHs can be fine-tuned, resulting in new BN-heteroaromatics with unique optoelectronic properties and bioactivity.BN/CC isosterism can not only enrich the famlily of heteroaromatics but also promote their applications in the fields of optoelectronic, catalysis and biomedical applications.In particular, the researchers from China have engaged and promoted the development of boron/nitrogen-doped heteroaromaics, leading to some great results.The recent advance of 1,2-BN heteroaromatics in China from the chemistry perspective is summarized, including the synthetic development of 1,2-BN heteroaromatics, as well as their applications in variety of research fields.In the end, the development prospects of BN-heteroaromatics are pointed out.Through highlighting these advances of boron/nitrogen-doped heteroaromaics in China, it is hoped that more researchers will be interested in the synthesis and application of boron/nitrogen-doped heteroaromaics.It is also hoped that this review would stimulate the conversation and cooperation between the chemists and material scientists in the related fields. Chemistry ; China Organoboron and organosilicon chemistry ; Synthesis and characterization of novel inorganic/organometallic compounds ; Luminescence and Fluorescent Materials
Authors: Shailendra Kumar Sharma | Hani Taleshi Ahangari | Bernt Johannessen | Vladimir B. Golovko | Aaron T. Marshall
Source: Electrocatalysis (article, 2023-04-21)
Field: Materials Science — Materials Chemistry

Au Cluster-derived Electrocatalysts for CO2 Reduction Catalysis ; Economies of agglomeration ; Electrochemistry ; Nanoparticle ; Electrocatalyst ; Cluster (spacecraft) ; X-ray photoelectron spectroscopy ; Calcination ; Chemical engineering ; Materials science ; Annealing (glass) ; Chemistry ; Nanotechnology ; Inorganic chemistry ; Electrode ; Physical chemistry ; Metallurgy ; Organic chemistry Nanocluster Synthesis and Applications ; CO2 Reduction Techniques and Catalysts ; Quantum Dots Synthesis And Properties
Authors: Wenxiu Li | Su Dun | Bin Xiao | Jun Wang | Xinba Yaer | Chun Ying | Ye Li | Xiaohuan Wang | Huijun Kang
Source: Journal of Materiomics (article, 2023-05-12)
Field: Materials Science — Materials Chemistry

High thermoelectric properties of Cu2Te Ag2Te composite with Fe addition and non-stoichiometric Te Cu2Te-based materials are a type of superionic conductor belonging to the class of phonon-liquid electron-crystal materials and have achieved high ZT values by doping and nanostructuring. However, it is easy to form copper vacancies in Cu2Te which leads to an excessive carrier concentration and then results in a low Seebeck coefficient. Hence, controlling copper ion migration and optimizing carrier concentration is essential to improve the thermoelectric performance of Cu2Te. This paper reports high-performance Cu2TeAg2Te composite with high application value in the low-middle temperature region, which is achieved by fine tuning the carrier concentration using Fe addition and non-stoichiometric Te, as well as controlling the thermal conductivity of composite. A high ZT of ∼1.2 is obtained in AgCu0.97Fe0.03Te0.96 at a low temperature of 573 K. Meanwhile, the phase transition mechanism of Cu2TeAg2Te and its effect on the thermoelectric transport performance are revealed that go beyond nanostructuring and single-doping, which provides a strong theoretical basis for research and performance improvement of thermoelectric materials in this system. Materials science ; Thermoelectric effect ; Seebeck coefficient ; Thermoelectric materials ; Doping ; Stoichiometry ; Condensed matter physics ; Composite number ; Thermal conductivity ; Thermodynamics ; Composite material ; Optoelectronics ; Physical chemistry ; Chemistry Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Chalcogenide Semiconductor Thin Films
Authors: Tao Jia | Yifan Gu | Hengcong Huang | Luyao Wang | Fengting Li
Source: Separation and Purification Technology (article, 2023-05-02)
Field: Chemistry — Inorganic Chemistry

Pore-structure control in ultramicroporous porous coordination polymers for efficient selective capture of acetylene Acetylene ; Adsorption ; Selectivity ; Gas separation ; Polymer ; Porosity ; Chemical engineering ; Molecule ; Selective adsorption ; Chemistry ; Porous medium ; Materials science ; Polymer chemistry ; Organic chemistry ; Catalysis ; Membrane Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport