jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bharat Bhusan Majhi | Sarah‐Eve Gélinas | Natacha Mérindol | Simon Ricard | Isabel Desgagné‐Penix
Source: Frontiers in Plant Science (article, 2023-08-30)
Field: Chemistry — Organic Chemistry

Characterization of norbelladine synthase and noroxomaritidine/norcraugsodine reductase reveals a novel catalytic route for the biosynthesis of Amaryllidaceae alkaloids including the Alzheimer’s drug galanthamine Amaryllidaceae alkaloids (AAs) are a large group of plant specialized metabolites with diverse pharmacological properties. Norbelladine is the entry compound in AAs biosynthesis and is produced from the condensation of tyramine and 3,4-dihydroxybenzaldehyde (3,4-DHBA). There are two reported enzymes capable of catalyzing this reaction <i>in-vitro</i>, both with low yield. The first one, norbelladine synthase (NBS), was shown to condense tyramine and 3,4-DHBA, while noroxomaritidine/norcraugsodine reductase (NR), catalyzes a reduction reaction to produce norbelladine. To clarify the mechanisms involved in this controversial step, both <i>NBS</i> and <i>NR</i> homologs were identified from the transcriptome of <i>Narcissus papyraceus</i> and <i>Leucojum aestivum</i>, cloned and expressed in <i>Escherichia coli.</i> Enzymatic assays performed with tyramine and 3,4-DHBA with each enzyme separately or combined, suggested that NBS and NR function together for the condensation of tyramine and 3,4-DHBA into norcraugsodine and further reduction into norbelladine. Using molecular homology modeling and docking studies, we predicted models for the binding of tyramine and 3,4-DHBA to NBS, and of the intermediate norcraugsodine to NR. Moreover, we show that NBS and NR physically interact in yeast and <i>in-planta</i>, that both localize to the cytoplasm and nucleus and are expressed at high levels in bulbs, confirming their colocalization and co-expression thus their ability to work together in the same catalytic route. Finally, their co-expression in yeast led to the production of norbelladine. In all, our study establishes that both NBS and NR participate in the biosynthesis of norbelladine by catalyzing the first key steps associated in the biosynthesis of the Alzheimer's drug galanthamine. Tyramine ; Prenyltransferase ; Biosynthesis ; Biochemistry ; Enzyme ; Reductase ; Biology ; Docking (animal) ; Chemistry ; Stereochemistry Chemical synthesis and alkaloids ; Alkaloids: synthesis and pharmacology ; Fungal Biology and Applications
Authors: Mei Ni | Lei Zhou | Yancen Liu | Runtao Ni
Source: Frontiers in Chemistry (review, 2023-07-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advances in the synthesis and applications of porous carbon materials Porous carbon materials have the advantages of high specific surface area, adjustable physicochemical properties, high porosity, good stability and availability. The preparation method of porous carbon materials and the choice of precursors directly determines their properties and range of applications. This article introduced the main methods for the preparation of porous carbon materials and their applications in adsorption, energy storage and catalysis. Porosity ; Materials science ; Carbon fibers ; Adsorption ; Porous medium ; Chemical engineering ; Nanotechnology ; Specific surface area ; Catalysis ; Chemistry ; Organic chemistry ; Composite material ; Engineering Supercapacitor Materials and Fabrication ; Advanced Battery Materials and Technologies ; Electrocatalysts for Energy Conversion
Authors: Peter O. Osazuwa | Chun‐Yuan Lo | Xu Feng | Abigail Nolin | Charles Dhong | Laure V. Kayser
Source: ACS Applied Materials & Interfaces (article, 2023-11-14)
Field: Materials Science — Polymers and Plastics

Surface Functionalization with (3-Glycidyloxypropyl)trimethoxysilane (GOPS) as an Alternative to Blending for Enhancing the Aqueous Stability and Electronic Performance of PEDOT:PSS Thin Films Organic mixed ionic-electronic conductors, such as poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), are essential materials for the fabrication of bioelectronic devices due to their unique ability to couple and transport ionic and electronic charges. The growing interest in bioelectronic devices has led to the development of organic electrochemical transistors (OECTs) that can operate in aqueous solutions and transduce ionic signals of biological origin into measurable electronic signals. A common challenge with OECTs is maintaining the stability and performance of the PEDOT:PSS films operating under aqueous conditions. Although the conventional approach of blending the PEDOT:PSS dispersions with a cross-linker such as (3-glycidyloxypropyl)trimethoxysilane (GOPS) helps to ensure strong adhesion of the films to device substrates, it also impacts the morphology and thus electrical properties of the PEDOT:PSS films, which leads to a significant reduction in the performance of OECTs. In this study, we instead functionalize only the surface of the device substrates with GOPS to introduce a silane monolayer before spin-coating the PEDOT:PSS dispersion on the substrate. In all cases, having a GOPS monolayer instead of a blend leads to increased electronic performance metrics, such as three times higher electronic conductivity, volumetric capacitance, and mobility-capacitance product [μ<i>C</i>*] value in OECT devices, ultimately leading to a record value of 406 ± 39 F cm<sup>-1</sup> V<sup>-1</sup> s<sup>-1</sup> for amorphous PEDOT:PSS. This increased performance does not come at the expense of operational stability, as both the blend and surface functionalization show similar performance when subjected to pulsed gate bias stress, long-term electrochemical cycling tests, and aging over 150 days. Overall, this study establishes a novel approach to using GOPS as a surface monolayer instead of a blended cross-linker, for achieving high-performance organic mixed ionic-electronic conductors that are stable in water for bioelectronics. PEDOT:PSS ; Materials science ; Surface modification ; Nanotechnology ; Capacitance ; Conductive polymer ; Aqueous solution ; Chemical engineering ; Polymer ; Composite material ; Electrode ; Layer (electronics) ; Organic chemistry ; Chemistry Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Analytical Chemistry and Sensors
Authors: Jie Dong | Jie Qian | Kunqian Yu | Shuai Huang | Xiang Cheng | Fei Chen | Hualiang Jiang | Wenbin Zeng
Source: Research (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Rational Design of Organelle-Targeted Fluorescent Probes: Insights from Artificial Intelligence Monitoring the physiological changes of organelles is essential for understanding the local biological information of cells and for improving the diagnosis and therapy of diseases. Currently, fluorescent probes are considered as the most powerful tools for imaging and have been widely applied in biomedical fields. However, the expected targeting effects of these probes are often inconsistent with the real experiments. The design of fluorescent probes mainly depends on the empirical knowledge of researchers, which was inhibited by limited chemical space and low efficiency. Herein, we proposed a novel multilevel framework for the prediction of organelle-targeted fluorescent probes by employing advanced artificial intelligence algorithms. In this way, not only the targeting mechanism could be interpreted beyond intuitions but also a quick evaluation method could be established for the rational design. Furthermore, the targeting and imaging powers of the optimized and synthesized probes based on this methodology were verified by quantitative calculation and experiments. Rational design ; Organelle ; Fluorescence ; Computer science ; Artificial intelligence ; Nanotechnology ; Computational biology ; Biological system ; Biology ; Materials science ; Biochemistry ; Physics Click Chemistry and Applications ; Photochromic and Fluorescence Chemistry ; Receptor Mechanisms and Signaling
Authors: Guido Busca | Elena Spennati | Paola Riani | Gabriella Garbarino
Source: Energies (article, 2023-07-11)
Field: Materials Science — Materials Chemistry

Looking for an Optimal Composition of Nickel-Based Catalysts for CO2 Methanation A detailed critical analysis of the scientific literature data concerning catalysts for CO2 methanation based on nickel supported over oxides was performed. According to the obtained information, it seems that an ionic support is necessary to allow a good nickel dispersion to produce very small nickel metal particles. Such small metal particles result in being very active toward methanation, limiting the production of carbonaceous materials. The use of support and/or surface additives gives rise to medium surface basicity, allowing medium-strong adsorption of CO2, and it is also advisable to increase the reaction rate. A medium nickel loading would allow the free support geometric surface to be covered densely by small nickel metal particles without the production of larger Ni crystals. It is also advisable to work at temperatures where Ni(CO)4 formation is not possible (e.g., &gt;573 K). The promising properties of systems based on doped Ni/Al2O3, doped with basic and re-active oxides such as MnOx or/and CeO2, and those based on Ni/CeO2 were underlined. Methanation ; Nickel ; Catalysis ; Materials science ; Metal ; Dispersion (optics) ; Adsorption ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Metallurgy ; Physical chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions
Authors: Μaria-Anna Gatou | Katerina Kontoliou | Eleni Volla | Konstantinos Karachalios | Grigorios Raptopoulos | Patrina Paraskevopoulou | Nefeli Lаgopati | Evangelia A. Pavlatou
Source: Catalysts (article, 2023-10-13)
Field: Materials Science — Materials Chemistry

Optimization of ZnO Nanoparticles’ Synthesis via Precipitation Method Applying Taguchi Robust Design Zinc oxide (ZnO) possesses exceptional potential to be utilized in water and wastewater treatment applications, either as a photocatalyst or in membrane incorporation. In the present study, ZnO nanoparticles were synthesized using the precipitation method. The Taguchi approach with the L32b orthogonal array was utilized in order to optimize the experimental conditions for the synthesis of the nanoparticles and to ensure that relatively smaller-sized particles were obtained. The design was characterized by ten factors, where nine of them possessed four levels, while one had two levels. This study’s design factors were the type of Zn precursor, the concentration of the Zn precursor, the type of precipitating agent, the precipitation agent’s concentration, the type of utilized solvent, the pH value of the solvent, the temperature used during the synthetic procedure, the calcination temperature, the time of stirring during synthesis, as well as the stirring speed. The influences of those factors on the selected response parameters (the average crystallite size, degree of crystallinity, energy band gap (Eg), and photodegradation constant (k)) were then evaluated. XRD analysis and the calculated Eg values indicated that the hexagonal wurtzite structure was the only crystalline phase present in the produced samples. The photocatalytic efficiency of all ZnO nanoparticles was examined in the degradation of rhodamine B under UV light irradiation. The optimal conditions were achieved using zinc acetate dihydrate as the Zn precursor at a concentration equal to 0.3 M, sodium hydroxide as the precipitating agent (1.5 M), methanol as the solvent (the pH value of the solvent was equal to 13), a temperature during the synthetic procedure of 70 °C, 600 °C as calcination temperature, a 90 min stirring time, and 700 rpm as the stirring speed. The optimized ZnO sample was synthesized based on the aforementioned conditions and thoroughly characterized. The acquired results confirmed the prediction of the Taguchi approach, and the most enhanced k-value was observed. Wurtzite crystal structure ; Materials science ; Crystallinity ; Nanoparticle ; Taguchi methods ; Zinc ; Solvent ; Chemical engineering ; Precipitation ; Calcination ; Photodegradation ; Sodium hydroxide ; Photocatalysis ; Nanotechnology ; Chemistry ; Organic chemistry ; Metallurgy ; Composite material ZnO doping and properties ; Copper-based nanomaterials and applications ; Gas Sensing Nanomaterials and Sensors
Authors: Lingju Meng | Qiwei Xu | Jiangwen Zhang | Xihua Wang
Source: Chemical Communications (article, 2023-12-12)
Field: Materials Science — Materials Chemistry

Colloidal quantum dot materials for next-generation near-infrared optoelectronics Colloidal quantum dots (CQDs) are a promising class of materials for next-generation optoelectronic devices, such as displays, LEDs, lasers, photodetectors, and solar cells. CQDs can be obtained at low cost and in large quantities using wet chemistry. CQDs have also been produced using various materials, such as CdSe, InP, perovskites, PbS, PbSe, and InAs. Some of these CQD materials absorb and emit photons in the visible region, making them excellent candidates for displays and LEDs, while others interact with low-energy photons in the near-infrared (NIR) region and are intensively utilized in NIR lasers, NIR photodetectors, and solar cells. In this review, we have focused on NIR CQD materials and reviewed the development of CQD materials for solar cells, NIR lasers, and NIR photodetectors since the first set of reports on CQD materials in these particular applications. Quantum dot ; Infrared ; Nanotechnology ; Optoelectronics ; Materials science ; Colloid ; Chemistry ; Physics ; Optics Quantum Dots Synthesis And Properties
Authors: Hanfeng Zhou | Panlong Li | En Zhang | Jonas Kunigkeit | Xiongjun Zhou | Katherina Haase | Maria Rita Ortega-Vega | Shuwen Wang | Xiaosa Xu | Julia Grothe | Stefan C. B. Mannsfeld | Eike Brunner | Katsumi Kaneko | Stefan Kaskel
Source: Angewandte Chemie International Edition (article, 2023-07-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

General Design Concepts for CAPodes as Ionologic Devices Capacitive analogues of semiconductor diodes (CAPodes) present a new avenue for energy-efficient and nature-inspired next-generation computing devices. Here, we disclose the generalized concept for bias-direction-adjustable n- and p-CAPodes based on selective ion sieving. Controllable-unidirectional ion flux is realized by blocking electrolyte ions from entering sub-nanometer pores. The resulting CAPodes exhibit charge-storage characteristics with a high rectification ratio (96.29 %). The enhancement of capacitance is attributed to the high surface area and porosity of an omnisorbing carbon as counter electrode. Furthermore, we demonstrate the use of an integrated device in a logic gate circuit architecture to implement logic operations ('OR', 'AND'). This work demonstrates CAPodes as a generalized concept to achieve p-n and n-p analogue junctions based on selective ion electrosorption, provides a comprehensive understanding and highlights applications of ion-based diodes in ionologic architectures. Rectification ; Diode ; Capacitance ; Materials science ; Optoelectronics ; Ion ; Capacitive sensing ; Logic gate ; Semiconductor ; Electrode ; Electrolyte ; Nanotechnology ; Electrical engineering ; Voltage ; Physics ; Engineering Supercapacitor Materials and Fabrication ; Electrocatalysts for Energy Conversion ; Analytical Chemistry and Sensors
Authors: Ahmad Sharifi
Source: Heliyon (review, 2023-06-01)
Field: Materials Science — Materials Chemistry

Wear and coating of tillage tools: A review Tillage tools are the main soil engaging implements facing high abrasive wear. This paper provided an overview of the research findings published in the area of wear and coating of tillage tools. Many researchers across the world have studied on the wear behavior, coating materials and methods of the tillage implements. In the previous studies coating methods and materials were used to resist the tillage tools against the wear phenomena. The effect of soil type on the wear of parts of impalements is investigated and reported in various research works. Draft force of the coated of the parts of tillage implements have also been measured and compared against the uncoated ones and presented in various publications. Many other scientists have considered and worked on the modelling of the wear of tillage tools. Several parameters such as tool geometry, soil properties including moisture content and soil texture and performance parameters of tillage tools such as forward speed and depth have been noticed in the wear modelling. The reviewed studies indicated that the wear rate of tillage implements increases with the increase of the size of sand particles in the soil. The previous investigations showed the less consumption of draft force by the coated tillage tools. This review helps those who are interested in work on the wear behavior aspects of the soil engaging implements and the coating of soil tillage tools. Tillage ; Coating ; Abrasive ; Work (physics) ; Materials science ; Environmental science ; Mechanical engineering ; Engineering ; Metallurgy ; Composite material ; Agronomy Metal Alloys Wear and Properties ; Tunneling and Rock Mechanics ; Tribology and Wear Analysis
Authors: Shigeru Deguchi | Hiroki Degaki | Ikuo Taniguchi | T. Koga
Source: Langmuir (review, 2023-06-02)
Field: Materials Science — Biomaterials

Deep-Sea-Inspired Chemistry: A Hitchhiker’s Guide to the Bottom of the Ocean for Chemists The ocean constitutes approximately 70% of Earth's surface. Its average depth is 3688 m, of which depths beyond 200 m are classified as the deep sea. The deep sea is distinct from the surface of the ocean in terms of pressure, temperature, and sunlight. The unique physicochemical processes under the extreme environment of the deep sea and the specialized biochemical mechanisms developed by organisms to survive in the deep sea can serve as a vast source of inspiration for scientific and technological advancements. In this Perspective, we discuss three examples of deep-sea-inspired chemistry: (1) soft materials that respond to high pressures such as those observed in the deep sea; (2) molecular self-assembly inspired by the chemistry of hot and compressed water in deep-sea hydrothermal vents; and (3) nanobiotechnology and biomimetics inspired by survival strategies of deep-sea organisms. Finally, we provide an outlook on deep-sea-inspired chemistry. This Perspective aims to promote the sustainable utilization of the ocean based on knowledge, as opposed to the conventional utilization of the ocean solely based on resources. We hope that this Perspective will encourage chemists to harness their inspiration gleaned from the deep sea. Deep sea ; Hydrothermal vent ; Oceanography ; Earth science ; Geology ; Paleontology ; Hydrothermal circulation Calcium Carbonate Crystallization and Inhibition ; Ocean Acidification Effects and Responses ; Protein Structure and Dynamics
Authors: Jiemin Wang | Tairan Yang | Zequn Wang | Xuhui Sun | Meng An | Dan Liu | Changsheng Zhao | Gang Zhang | Weiwei Lei
Source: Nano-Micro Letters (article, 2023-07-05)
Field: Materials Science — Materials Chemistry

A Thermochromic, Viscoelastic Nacre-like Nanocomposite for the Smart Thermal Management of Planar Electronics Cutting-edge heat spreaders for soft and planar electronics require not only high thermal conductivity and a certain degree of flexibility but also remarkable self-adhesion without thermal interface materials, elasticity, arbitrary elongation along with soft devices, and smart properties involving thermal self-healing, thermochromism and so on. Nacre-like composites with excellent in-plane heat dissipation are ideal as heat spreaders for thin and planar electronics. However, the intrinsically poor viscoelasticity, i.e., adhesion and elasticity, prevents them from simultaneous self-adhesion and arbitrary elongation along with current flexible devices as well as incurring high interfacial thermal impedance. In this paper, we propose a soft thermochromic composite (STC) membrane with a layered structure, considerable stretchability, high in-plane thermal conductivity (~ 30 W m<sup>-1</sup> K<sup>-1</sup>), low thermal contact resistance (~ 12 mm<sup>2</sup> K W<sup>-1</sup>, 4-5 times lower than that of silver paste), strong yet sustainable adhesion forces (~ 4607 J m<sup>-2</sup>, 2220 J m<sup>-2</sup> greater than that of epoxy paste) and self-healing efficiency. As a self-adhesive heat spreader, it implements efficient cooling of various soft electronics with a temperature drop of 20 °C than the polyimide case. In addition to its self-healing function, the chameleon-like behavior of STC facilitates temperature monitoring by the naked eye, hence enabling smart thermal management. Materials science ; Composite material ; Thermal conductivity ; Electronics ; Stretchable electronics ; Flexible electronics ; Thermal grease ; Nanotechnology ; Electrical engineering Thermal properties of materials ; Phase Change Materials Research ; Advanced Materials and Mechanics
Authors: Diana C. Martinez | Anna Dobkowska | Romy Marek | Hanna Ćwieka | Jakub Jaroszewicz | Tomasz Płociński | Črtomir Donik | Heike Helmholz | Bérengère Luthringer-Feyerabend | Berit Zeller‐Plumhoff | Regine Willumeit‐Römer | Wojciech Święszkowski
Source: Bioactive Materials (article, 2023-05-18)
Field: Materials Science — Biomaterials

In vitro and in vivo degradation behavior of Mg-0.45Zn-0.45Ca (ZX00) screws for orthopedic applications Magnesium (Mg) alloys have become a potential material for orthopedic implants due to their unnecessary implant removal, biocompatibility, and mechanical integrity until fracture healing. This study examined the <i>in vitro</i> and <i>in vivo</i> degradation of an Mg fixation screw composed of Mg-0.45Zn-0.45Ca (ZX00, in wt.%). With ZX00 human-sized implants, <i>in vitro</i> immersion tests up to 28 days under physiological conditions, along with electrochemical measurements were performed for the first time. In addition, ZX00 screws were implanted in the diaphysis of sheep for 6, 12, and 24 weeks to assess the degradation and biocompatibility of the screws <i>in vivo</i>. Using scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDX), micro-computed tomography (μCT), X-ray photoelectron spectroscopy (XPS), and histology, the surface and cross-sectional morphologies of the corrosion layers formed, as well as the bone-corrosion-layer-implant interfaces, were analyzed. Our findings from <i>in vivo</i> testing demonstrated that ZX00 alloy promotes bone healing and the formation of new bone in direct contact with the corrosion products. In addition, the same elemental composition of corrosion products was observed for <i>in vitro</i> and <i>in vivo</i> experiments; however, their elemental distribution and thicknesses differ depending on the implant location. Our findings suggest that the corrosion resistance was microstructure-dependent. The head zone was the least corrosion-resistant, indicating that the production procedure could impact the corrosion performance of the implant. In spite of this, the formation of new bone and no adverse effects on the surrounding tissues demonstrated that the ZX00 is a suitable Mg-based alloy for temporary bone implants. Biocompatibility ; Corrosion ; Materials science ; Bone healing ; Implant ; Scanning electron microscope ; Energy-dispersive X-ray spectroscopy ; Microstructure ; In vivo ; Biomaterial ; Biomedical engineering ; X-ray photoelectron spectroscopy ; Metallurgy ; Composite material ; Chemical engineering ; Nanotechnology ; Medicine ; Surgery Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Corrosion Behavior and Inhibition