jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yanchen Li | Chris D. Vulpe | Twan Lammers | Roger M. Pallares
Source: Nanoscale (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Assessing inorganic nanoparticle toxicity through omics approaches In the last two decades, the development of nanotechnology has resulted in inorganic nanoparticles playing crucial roles in key industries, ranging from healthcare to energy technologies. For instance, gold and silver nanoparticles are widely used in rapid COVID-19 and flu tests, titania and zinc oxide nanoparticles are commonly found in cosmetic products, and superparamagnetic iron oxide nanoparticles have been clinically exploited as contrast agents and anti-anemia medicines. As a result, human exposure to nanomaterials is continuously increasing, raising concerns about their potential adverse health effects. Historically, the study of nanoparticle toxicity has largely relied on macroscopic observations obtained in different <i>in vitro</i> and <i>in vivo</i> models, resulting in readouts such as median lethal dose, biodistribution profile, and/or histopathological assessment. In recent years, omics methodologies, including transcriptomics, epigenomics, proteomics, metabolomics, and lipidomics, are increasingly used to characterize the biological interactions of nanomaterials, providing a better and broader understanding of their impact and mechanisms of toxicity. These approaches have been able to identify important genes and gene products that mediate toxicological effects, as well as endogenous functions and pathways dysregulated by nanoparticles. Omics methods improve our understanding of nanoparticle biology, and unravel mechanistic insights into nanomedicine-based therapies. This review aims to provide a deeper understanding and new perspectives of omics approaches to characterize the toxicity and biological interactions of inorganic nanoparticles, and improve the safety of nanoparticle applications. Omics ; Nanoparticle ; Toxicity ; Nanotechnology ; Computational biology ; Computer science ; Biochemical engineering ; Chemistry ; Bioinformatics ; Biology ; Materials science ; Engineering Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Xin Zhang | Hao Suo | Yang Guo | Jiangkun Chen | Yu Wang | Xiaohe Wei | Weilin Zheng | Shuohan Li | Feng Wang
Source: Nature Communications (article, 2024-08-09)
Field: Materials Science — Materials Chemistry

Continuous tuning of persistent luminescence wavelength by intermediate-phase engineering in inorganic crystals Multicolor tuning of persistent luminescence has been extensively studied by deliberately integrating various luminescent units, known as activators or chromophores, into certain host compounds. However, it remains a formidable challenge to fine-tune the persistent luminescence spectra either in organic materials, such as small molecules, polymers, metal-organic complexes and carbon dots, or in doped inorganic crystals. Herein, we present a strategy to delicately control the persistent luminescence wavelength by engineering sub-bandgap donor-acceptor states in a series of single-phase Ca(Sr)ZnOS crystals. The persistent luminescence emission peak can be quasi-linearly tuned across a broad wavelength range (500-630 nm) as a function of Sr/Ca ratio, achieving a precision down to ~5 nm. Theoretical calculations reveal that the persistent luminescence wavelength fine-tuning stems from constantly lowered donor levels accompanying the modified band structure by Sr alloying. Besides, our experimental results show that these crystals exhibit a high initial luminance of 5.36 cd m<sup>-</sup><sup>2</sup> at 5 sec after charging and a maximum persistent luminescence duration of 6 h. The superior, color-tunable persistent luminescence enables a rapid, programable patterning technique for high-throughput optical encryption. Luminescence ; Phase (matter) ; Materials science ; Wavelength ; Persistent luminescence ; Optoelectronics ; Chemistry Luminescence Properties of Advanced Materials ; Perovskite Materials and Applications ; Luminescence and Fluorescent Materials
Authors: Maochao Mao | Leon Ahrens | Julian Luka | Francisca Contreras | Tetiana Kurkina | Marian Bienstein | Marisa P. Sárria | Gabriella F. Schirinzi | Dóra Méhn | Andrea Valsesia | Cloé Desmet | Miquel Àngel Serra | Douglas Gilliland | Ulrich Schwaneberg
Source: Chemical Society Reviews (review, 2024-01-01)
Field: Materials Science — Biomaterials

Material-specific binding peptides empower sustainable innovations in plant health, biocatalysis, medicine and microplastic quantification Material-binding peptides (MBPs) have emerged as a diverse and innovation-enabling class of peptides in applications such as plant-/human health, immobilization of catalysts, bioactive coatings, accelerated polymer degradation and analytics for micro-/nanoplastics quantification. Progress has been fuelled by recent advancements in protein engineering methodologies and advances in computational and analytical methodologies, which allow the design of, for instance, material-specific MBPs with fine-tuned binding strength for numerous demands in material science applications. A genetic or chemical conjugation of second (biological, chemical or physical property-changing) functionality to MBPs empowers the design of advanced (hybrid) materials, bioactive coatings and analytical tools. In this review, we provide a comprehensive overview comprising naturally occurring MBPs and their function in nature, binding properties of short man-made MBPs (<20 amino acids) mainly obtained from phage-display libraries, and medium-sized binding peptides (20-100 amino acids) that have been reported to bind to metals, polymers or other industrially produced materials. The goal of this review is to provide an in-depth understanding of molecular interactions between materials and material-specific binding peptides, and thereby empower the use of MBPs in material science applications. Protein engineering methodologies and selected examples to tailor MBPs toward applications in agriculture with a focus on plant health, biocatalysis, medicine and environmental monitoring serve as examples of the transformative power of MBPs for various industrial applications. An emphasis will be given to MBPs' role in detecting and quantifying microplastics in high throughput, distinguishing microplastics from other environmental particles, and thereby assisting to close an analytical gap in food safety and monitoring of environmental plastic pollution. In essence, this review aims to provide an overview among researchers from diverse disciplines in respect to material-(specific) binding of MBPs, protein engineering methodologies to tailor their properties to application demands, re-engineering for material science applications using MBPs, and thereby inspire researchers to employ MBPs in their research. Chemistry ; Biocatalysis ; Biochemical engineering ; Nanotechnology ; Biochemistry ; Materials science ; Engineering ; Catalysis Diatoms and Algae Research ; Graphene and Nanomaterials Applications ; biodegradable polymer synthesis and properties
Authors: Dayu Tian | Guang Chen | Xiaocheng Wang | Hai‐Jun Zhang
Source: Journal of the American Chemical Society (article, 2024-06-21)
Field: Chemistry — Organic Chemistry

Modular Access to Functionalized Oxetanes as Benzoyl Bioisosteres Bioisosterism is a valuable principle exploited in drug discovery to fine-tune physicochemical properties of bioactive compounds. Functionalized 3-aryl oxetanes, as an important class of bioisosteres for benzoyl groups (highly prevalent structures in approved drugs), have been rarely utilized in agrochemicals and pharmaceuticals due to significant synthetic challenges. Here, we present a modular synthetic strategy based on the unexplored yet readily available reagents, oxetanyl trichloroacetimidates, inspired by Schmidt glycosylation, enabling easy access to a library of functionalized oxetanes. This operationally simple protocol leverages the vast existing libraries of aryl halides and various nucleophiles. The power and generality of this approach is demonstrated by late-stage functionalization of complex molecules, as well as the rapid synthesis of oxetane analogues of bioactive molecules and marketed drugs. Preliminary mechanistic study suggests that the oxygen atom in the oxetane ring plays a crucial role in stabilizing the carbocation intermediates. Chemistry ; Oxetane ; Combinatorial chemistry ; Aryl ; Nucleophile ; Electrophile ; Molecule ; Organic chemistry ; Alkyl Synthesis and Catalytic Reactions ; Chemical Synthesis and Analysis ; Click Chemistry and Applications
Authors: Seetha Lakshmy | Brinti Mondal | Nandakumar Kalarikkal | Chandra Sekhar Rout | Brahmananda Chakraborty
Source: Advanced Powder Materials (article, 2024-05-23)
Field: Materials Science — Materials Chemistry

Recent developments in synthesis, properties, and applications of 2D Janus MoSSe and MoSe S(1-) alloys The Janus MoSSe and alloy MoSxSe(1-x), belonging to the family of two-dimensional (2D) transition metal dichalcogenides (TMDs), have gained significant attention for their potential applications in nanotechnology. The unique asymmetric structure of Janus MoSSe provides intriguing possibilities for tailored applications. The alloy MoSxSe(1-x) offers a tunable composition, allowing for the fine-tuning of the properties to meet specific requirements. These materials exhibit remarkable mechanical, electrical, and optical properties, including a tunable band gap, high absorption coefficient, and photoconductivity. The vibrational and magnetic properties also make it a promising candidate for nanoscale sensing and magnetic storage applications. Properties of these materials can be precisely controlled through different approaches such as size-dependent properties, phase engineering, doping, alloying, defect and vacancy engineering, intercalation, morphology, and heterojunction or hybridisation. Various synthesis methods for 2D Janus MoSSe and alloy MoSxSe(1-x) are discussed, including hydro/solvothermal, chemical vapour transport, chemical vapour deposition, physical vapour depositio, and other approaches. The review also presents the latest advancements in Janus and alloy MoSSe-based applications, such as chemical and gas sensors, surface-enhanced Raman spectroscopy, field emission, and energy storage. Moreover, the review highlights the challenges and future directions in the research of these materials, including the need for improved synthesis methods, understanding of their stability, and exploration of new applications. Despite the early stages of research, both the MoSSe-based materials have shown significant potential in various fields, and this review provides valuable insights for researchers and engineers interested in exploring its potential. Materials science ; Janus ; Nanotechnology ; Heterojunction ; Alloy ; Chemical vapor deposition ; Optoelectronics ; Metallurgy 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques
Authors: MA Zaed | K.H. Tan | R. Saidur | Norulsamani Abdullah | A.K. Pandey
Source: Journal of Materials Science (article, 2024-04-27)
Field: Materials Science — Materials Chemistry

Invited viewpoint: pathways to low-cost MXene synthesis Materials science ; Solid mechanics ; Nanotechnology ; Engineering ethics ; Engineering ; Composite material MXene and MAX Phase Materials ; 2D Materials and Applications
Authors: Stephen J. Klawa | Michelle Lee | Kyle D. Riker | Tengyue Jian | Qunzhao Wang | Yuan Gao | Margaret L. Daly | Shreeya Bhonge | W. Seth Childers | Tolulope O. Omosun | Anil Mehta | David G. Lynn | Ronit Freeman
Source: Nature Communications (article, 2024-01-26)
Field: Materials Science — Biomaterials

Uncovering supramolecular chirality codes for the design of tunable biomaterials In neurodegenerative diseases, polymorphism and supramolecular assembly of β-sheet amyloids are implicated in many different etiologies and may adopt either a left- or right-handed supramolecular chirality. Yet, the underlying principles of how sequence regulates supramolecular chirality remains unknown. Here, we characterize the sequence specificity of the central core of amyloid-β 42 and design derivatives which enable chirality inversion at biologically relevant temperatures. We further find that C-terminal modifications can tune the energy barrier of a left-to-right chiral inversion. Leveraging this design principle, we demonstrate how temperature-triggered chiral inversion of peptides hosting therapeutic payloads modulates the dosed release of an anticancer drug. These results suggest a generalizable approach for fine-tuning supramolecular chirality that can be applied in developing treatments to regulate amyloid morphology in neurodegeneration as well as in other disease states. Chirality (physics) ; Supramolecular chemistry ; Supramolecular chirality ; Rational design ; Nanotechnology ; Computational biology ; Materials science ; Chemistry ; Biophysics ; Biology ; Crystallography ; Physics ; Crystal structure Supramolecular Self-Assembly in Materials ; Metal-Organic Frameworks: Synthesis and Applications ; Crystallography and molecular interactions
Authors: Hsueh-Sheng Tseng | Ying-Lin Chen | P. Zhang | Yu‐Sheng Hsiao
Source: ACS Applied Materials & Interfaces (article, 2024-03-08)
Field: Materials Science — Polymers and Plastics

Additive Blending Effects on PEDOT:PSS Composite Films for Wearable Organic Electrochemical Transistors Organic electrochemical transistors (OECTs) employing conductive polymers (CPs) have gained remarkable prominence and have undergone extensive advancements in wearable and implantable bioelectronic applications in recent years. Among the diverse arrays of CPs, poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) is a common choice for the active-layer channel in p-type OECTs, showing a remarkably high transconductance for the high amplification of signals in biosensing applications. This investigation focuses on the novel engineering of PEDOT:PSS composite materials by seamlessly integrating several additives, namely, dimethyl sulfoxide (DMSO), (3-glycidyloxypropyl)trimethoxysilane (GOPS), and a nonionic fluorosurfactant (NIFS), to fine-tune their electrical conductivity, self-healing capability, and stretchability. To elucidate the intricate influences of the DMSO, GOPS, and NIFS additives on the formation of PEDOT:PSS composite films, theoretical calculations were performed, encompassing the solubility parameters and surface energies of the constituent components of the NIFS, PEDOT, PSS, and PSS-GOPS polymers. Furthermore, we conducted a comprehensive array of material analyses, which reveal the intricacies of the phase separation phenomenon and its interaction with the materials' characteristics. Our research identified the optimal composition for the PEDOT:PSS composite films, characterized by outstanding self-healing and stretchable capabilities. This composition has proven to be highly effective for constructing an active-layer channel in the form of OECT-based biosensors fabricated onto polydimethylsiloxane substrates for detecting dopamine. Overall, these findings represent significant progress in the application of PEDOT:PSS composite films in wearable bioelectronics and pave the way for the development of state-of-the-art biosensing technologies. PEDOT:PSS ; Materials science ; Bioelectronics ; Conductive polymer ; Nanotechnology ; Composite number ; Biosensor ; Polydimethylsiloxane ; Polymer ; Layer (electronics) ; Composite material Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: Haoyue Wan | Eui Dae Jung | Tong Zhu | So Min Park | João M. Pina | Pan Xia | Koen Bertens | Ya‐Kun Wang | Ozan Atan | Haijie Chen | Yi Hou | Seungjin Lee | Yu‐Ho Won | Kwanghee Kim | Sjoerd Hoogland | Edward H. Sargent
Source: Small (article, 2024-04-10)
Field: Materials Science — Materials Chemistry

Nickel Oxide Hole Injection Layers for Balanced Charge Injection in Quantum Dot Light‐Emitting Diodes Quantum dot (QD) light-emitting diodes (QLEDs) are promising for next-generation displays, but suffer from carrier imbalance arising from lower hole injection compared to electron injection. A defect engineering strategy is reported to tackle transport limitations in nickel oxide-based inorganic hole-injection layers (HILs) and find that hole injection is able to enhance in high-performance InP QLEDs using the newly designed material. Through optoelectronic simulations, how the electronic properties of NiO<sub>x</sub> affect hole injection efficiency into an InP QD layer, finding that efficient hole injection depends on lowering the hole injection barrier and enhancing the acceptor density of NiO<sub>x</sub> is explored. Li doping and oxygen enriching are identified as effective strategies to control intrinsic and extrinsic defects in NiO<sub>x</sub>, thereby increasing acceptor density, as evidenced by density functional theory calculations and experimental validation. With fine-tuned inorganic HIL, InP QLEDs exhibit a luminance of 45 200 cd m<sup>-2</sup> and an external quantum efficiency of 19.9%, surpassing previous inorganic HIL-based QLEDs. This study provides a path to designing inorganic materials for more efficient and sustainable lighting and display technologies. Quantum dot ; Optoelectronics ; Materials science ; Light-emitting diode ; Diode ; Acceptor ; Doping ; Nickel oxide ; Oxide ; Physics ; Condensed matter physics Quantum Dots Synthesis And Properties ; ZnO doping and properties ; Ga2O3 and related materials
Authors: Abeer S. Altowyan | Mustafa Burak Çoban | Ümit H. Kaynar | E. Aymila Çin | M. Ayvacıklı | Jabir Hakami | N. Can
Source: Ceramics International (article, 2024-02-01)
Field: Materials Science — Materials Chemistry

Structural and photoluminescent analysis of novel Eu3+ and Dy3+ Co-doped ZnO nanoparticles by incorporation of Li+ and K+ ions Photoluminescence ; Materials science ; Wurtzite crystal structure ; Luminescence ; Doping ; Phosphor ; Analytical Chemistry (journal) ; Dopant ; Nanoparticle ; Fourier transform infrared spectroscopy ; Ion ; Spectroscopy ; Nanotechnology ; Optoelectronics ; Chemical engineering ; Chemistry ; Zinc ZnO doping and properties ; Luminescence Properties of Advanced Materials ; Ga2O3 and related materials
Authors: Guan‐Qun Han | Guodong Li | Yujie Sun
Source: JACS Au (article, 2024-01-29)
Field: Chemistry — Inorganic Chemistry

Electrocatalytic Hydrogenation Using Palladium Membrane Reactors Hydrogenation is a crucial chemical process employed in a myriad of industries, often facilitated by metals such as Pd, Pt, and Ni as catalysts. Traditional thermocatalytic hydrogenation usually necessitates high temperature and elevated pressure, making the process energy intensive. Electrocatalytic hydrogenation offers an alternative but suffers from issues such as competing H<sub>2</sub> evolution, electrolyte separation, and limited solvent selection. This Perspective introduces the evolution and advantages of the electrocatalytic Pd membrane reactor (ePMR) as a solution to these challenges. ePMR utilizes a Pd membrane to physically separate the electrochemical chamber from the hydrogenation chamber, permitting the use of water as the hydrogen source and eliminating the need for H<sub>2</sub> gas. This setup allows for greater control over reaction conditions, such as solvent and electrolyte selection, while mitigating issues such as low Faradaic efficiency and complex product separation. Several representative hydrogenation reactions (e.g., hydrogenation of C=C, C≡C, C=O, C≡N, and O=O bonds) achieved via ePMR over the past 30 years were concisely discussed to highlight the unique advantages of ePMR. Promising research directions along with the advancement of ePMR for more challenging hydrogenation reactions are also proposed. Finally, we provide a prospect for future development of this distinctive hydrogenation strategy using hydrogen-permeable membrane electrodes. Palladium ; Membrane ; Chemistry ; Materials science ; Chemical engineering ; Catalysis ; Organic chemistry ; Biochemistry ; Engineering Asymmetric Hydrogenation and Catalysis ; Chemical Reactions and Isotopes ; Ammonia Synthesis and Nitrogen Reduction
Authors: Alhulw H. Alshammari
Source: Polymers (article, 2024-05-14)
Field: Materials Science — Polymers and Plastics

Structural, Optical, and Thermal Properties of PVA/SrTiO3/CNT Polymer Nanocomposites Successful preparation of PVA/SrTiO<sub>3</sub>/CNT polymer nanocomposite films was accomplished via the solution casting method. The structural, optical, and thermal properties of the films were tested by XRD, SEM, FTIR, TGA, and UV-visible spectroscopy. Inclusion of the SrTiO<sub>3</sub>/CNT nanofillers with a maximum of 1 wt% drastically improved the optical and thermal properties of PVA films. SrTiO<sub>3</sub> has a cubic crystal structure, and its average crystal size was found to be 28.75 nm. SEM images showed uniform distribution in the sample with 0.3 wt% of SrTiO<sub>3</sub>/CNTs in the PVA film, while some agglomerations appeared in the samples of higher SrTiO<sub>3</sub>/CNT content, i.e., at 0.7 and 1.0 wt%, in the PVA polymer films. The inclusion of SrTiO<sub>3</sub>/CNTs improved the thermal stability of PVA polymer films. The direct and indirect optical band gaps of the PVA films decreased when increasing the mass of the SrTiO<sub>3</sub>/CNTs, while the single-oscillator energy (<i>E</i><sub>0</sub>) and dispersion energy (<i>E<sub>d</sub></i>) increased. The films' refractive indices were gradually increased upon increasing the nanofillers' weight. In addition, improvements in the optical susceptibility and nonlinear refractive indices' values were also obtained. These films are qualified for optoelectronic applications due to their distinct optical and thermal properties. Materials science ; Nanocomposite ; Polymer ; Thermal stability ; Fourier transform infrared spectroscopy ; Dispersion (optics) ; Polymer nanocomposite ; Casting ; Composite material ; Refractive index ; Band gap ; Chemical engineering ; Optics ; Optoelectronics Polymer Nanocomposite Synthesis and Irradiation ; Polymer Nanocomposites and Properties ; Conducting polymers and applications