jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yongsu Lee | Seung Mo Kim | Kiyung Kim | Soyoung Kim | Ho‐In Lee | Heejin Kwon | Hae‐Won Lee | Chaeeun Kim | Surajit Some | Hyeon Jun Hwang | Byoung Hun Lee
Source: Scientific Reports (article, 2022-11-12)
Field: Materials Science — Materials Chemistry

Dual-channel P-type ternary DNTT–graphene barristor P-type ternary switch devices are crucial elements for the practical implementation of complementary ternary circuits. This report demonstrates a p-type ternary device showing three distinct electrical output states with controllable threshold voltage values using a dual-channel dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]-thiophene-graphene barristor structure. To obtain transfer characteristics with distinctively separated ternary states, novel structures called contact-resistive and contact-doping layers were developed. The feasibility of a complementary standard ternary inverter design around 1 V was demonstrated using the experimentally calibrated ternary device model. Ternary operation ; Graphene ; Materials science ; Dual (grammatical number) ; Resistive touchscreen ; Voltage ; Type (biology) ; Optoelectronics ; Nanotechnology ; Computer science ; Electrical engineering Graphene research and applications ; 2D Materials and Applications ; Quantum and electron transport phenomena
Authors: Ron Hoffmann | Hendrik Naatz | Andreas Hartwig
Source: Journal of Materials Science (article, 2022-01-01)
Field: Materials Science — Polymers and Plastics

In situ polymerization monitoring of a diacrylate in an electrically conducting mesoporous nanoparticle scaffold Abstract The properties of nanoparticle–polymer composites strongly depend on the network structure of the polymer matrix. By introducing nanoparticles into a monomer (solution) and subsequently polymerizing it, the formation of the polymer phase influences the mechanical and physicochemical properties of the composite. In this study, semi-conducting indium tin oxide (ITO) nanoparticles were prepared to form a rigid nanoparticle scaffold in which 1,6-hexanediol diacrylate (HDDA), together with an initiator for photo-polymerization, was infiltrated and subsequently polymerized by UV light. During this process, the polymerization reaction was characterized using rapid scan Kubelka–Munk FT-IR spectroscopy and compared to bulk HDDA. The conductivity change of the ITO nanoparticles was monitored and correlated with the polymerization process. It was revealed that the reaction rates of the radical initiation and chain propagation are reduced when cured inside the voids of the nanoparticle scaffold. The degree of conversion is lower for HDDA infiltrated into the mesoporous ITO nanoparticle scaffold compared to purely bulk-polymerized HDDA. Graphical abstract Materials science ; Polymerization ; Nanoparticle ; Mesoporous material ; Polymer ; Chemical engineering ; Monomer ; In situ polymerization ; Radical polymerization ; Composite material ; Polymer chemistry ; Nanotechnology ; Organic chemistry ; Chemistry Conducting polymers and applications ; Polymer Nanocomposites and Properties ; Transition Metal Oxide Nanomaterials
Authors: Dong Xie | Xiaoting Wang | Longjun Wei | Ran Zhang | Rajesh Ganesan | D.T.A. Matthews | Y.X. Leng
Source: Surface and Interface Analysis (article, 2022-10-11)
Field: Materials Science — Materials Chemistry

Atomic configuration, electronic structure, and work of adhesion of TiN(111)//B2‐NiTi(110) and TiN(111)//B19′‐NiTi(010) interfaces: Insights from first‐principles simulations In this paper, the atomic configuration, electronic structure, and work of adhesion for TiN(111)//B2‐NiTi(110) and TiN(111)//B19′‐NiTi(010) interfaces were investigated by first‐principles calculations based on density functional theory (DFT), which aim to provide a theoretical guidance for analyzing the service reliability of TiN films modified NiTi alloy devices. The results of this paper indicated that a hollow‐site stacking structure was formed on the interface when Ti and N were the terminal atoms on two sides. Such interfaces demonstrated a stronger bonding performance and a more stable structure than that with Ni and Ti as the terminal atoms. The work of adhesion of the TiN(111)//B19′‐NiTi(010) interface was 17.47 J/m 2 , which is greater than the work of fracture of TiN(111) (6.73 J/m 2 ), whereas the work of adhesion of the TiN(111)//B2‐NiTi(110) interface was found to reach 5.49 J/m 2 , which is lower than the work of fracture of TiN(111). The models of the work of adhesion between the two interfaces indicate that there are significant bond strength changes in the TiN/NiTi interface, when the NiTi substrate undergoes martensitic transformation. The results of this paper contribute significantly to the service reliability analysis of TiN films coated on NiTi alloy devices. Tin ; Nickel titanium ; Materials science ; Adhesion ; Substrate (aquarium) ; Metallurgy ; Composite material ; Shape-memory alloy Shape Memory Alloy Transformations ; Metal and Thin Film Mechanics ; Intermetallics and Advanced Alloy Properties
Authors: Azad Qayoom Malik | Tahir ul Gani Mir | Deepak Kumar
Source: Current Materials Science (article, 2022-09-29)
Field: Materials Science — Materials Chemistry

An Overview of Paclitaxel and Molecular Imprinted Polymers Cappedwith Quantum Dots as an Alternative Approach for Paclitaxel Extractionand Detection Abstract: Paclitaxel (Taxol) is a drug that belongs to the class of compounds called Taxane. It is a strong and potent chemotherapeutic drug that inhibits the growth of certain types of cancer cells; however, its abundance is very low, and various types of methodologies have been implemented to extract paclitaxel from the bark of different plants and herbs. The molecularly imprinted polymers (MIPs) could be the best alternative to purify the paclitaxel molecule. MIPs have become an attractive solution for the selective and fine-tuned determination of target templates in complex forms where other comparable and relevant structural compounds could coexist. Implementation of quantum dots in MIPs improves their extraction features due to the presence of distinct functional sites. Quantum dots can be employed to modulate the size, detectability, and state of the imprinted materials, depending on the selected application. This review aims to summarize and illustrate the modern and innovative strategies based on the aggregation of MIPs with quantum dots. Quantum dot embedded MIPs can be exploited for simultaneous extraction, preconcentration, and detection of paclitaxel obtained from various sources. Paclitaxel ; Molecularly imprinted polymer ; Taxane ; Quantum dot ; Nanotechnology ; Extraction (chemistry) ; Polymer ; Chemistry ; Template ; Materials science ; Combinatorial chemistry ; Chromatography ; Cancer ; Organic chemistry ; Selectivity ; Biology ; Breast cancer Carbon and Quantum Dots Applications ; Analytical chemistry methods development ; Lanthanide and Transition Metal Complexes
Authors: Irena Dokli | Antonija Ožegović | Aleksandra Šimanović | Matija Hromin | Anamarija Knežević | Aleksandar Višnjevac | Andreja Lesac
Source: The Journal of Organic Chemistry (article, 2022-10-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Enantioselective Synthesis of 3-Aryl-3-hydroxypropanoic Esters as Subunits for Chiral Liquid Crystals Chiral liquid crystals (LCs) with their unique optical and mechanical properties are perspective functional soft materials for fundamental science and advanced technological applications. Herein, we introduce the chiral 3-aryl-3-hydroxypropanoic ester moiety as a versatile building block for the preparation of LC compounds. Three chiral subunits differing in the aromatic part were obtained through asymmetric transfer hydrogenation using Ru(II) complexes with ee from 98% to >99%. Chiral LC compounds of diverse topologies were further prepared without deterioration of the ee during the synthesis. The mesomorphic behavior of rod-shaped, bent-shaped flexible dimeric, and polycatenar LCs is consistent with their topology─chiral nematic and smectic phases were identified as well as the rarely observed twist grain boundary A and blue phases. The utilization of synthetic chiral building blocks offers the possibility of fine tuning the intermolecular interactions by subtle changes in the molecular structure as well as the preparation of the corresponding racemic forms. This paves the way for the study of self-organization and the structure-property relationship in chiral soft materials. Enantioselective synthesis ; Liquid crystal ; Moiety ; Aryl ; Materials science ; Chirality (physics) ; Intermolecular force ; Topology (electrical circuits) ; Molecule ; Combinatorial chemistry ; Organic chemistry ; Chemistry ; Chiral symmetry breaking ; Catalysis ; Mathematics Liquid Crystal Research Advancements ; Molecular spectroscopy and chirality ; Synthesis and Properties of Aromatic Compounds
Authors: Attila Csomos | Orsolya Pantl | Petra Dunkel | Dóra Bogdán | Arnold Steckel | Gitta Schlosser | Zoltán Mucsi | Ervin Kovács
Source: ARKIVOC (article, 2022-03-27)
Field: Chemistry — Organic Chemistry

Synthesis of 8-aminoquinoline chelating moieties for chemosensor molecules 8-Aminoquinolines are useful molecular motifs for ion sensors. To encourage chemosensor development, new building blocks containing these motifs are essential. 8-Aminoquinoline-2-carbaldehydes are proposed as useful building blocks since their aldehyde group offers the possibility for further transformations. We present a general method for the preparation of these compounds starting from commercially available 8-bromo-2methylquinoline. Different sidechains for fine-tuning their affinity and selectivity were introduced by a microwave-aided N-arylation using Pd(0) and P-ligands; the desired products were achieved by oxidation. An alternative method is also presented when the product shows high affinity towards the catalyst limiting the effectiveness of the Pd-catalysed the N-arylation. Chemistry ; Chelation ; Combinatorial chemistry ; Molecule ; Organic chemistry Synthesis and Characterization of Heterocyclic Compounds
Authors: Zhonghua Li | Haibin Qu | Lan Fang | Songgu Wu | Junbo Gong
Source: Chinese Chemical Letters (article, 2022-05-13)
Field: Chemistry — Physical and Theoretical Chemistry

A new strategy to design isostructural salts: The case of the antitumor drug dimethylaminomicheliolide Isostructural ; Drug ; Chemistry ; Combinatorial chemistry ; Stereochemistry ; Pharmacology ; Organic chemistry ; Medicine ; Crystal structure Crystallography and molecular interactions ; Crystallization and Solubility Studies ; Crystal structures of chemical compounds
Authors: Pranjali Pranjali | Deepak Kumar Tripathi | Anamika Chaturvedi | Ranjan K. Singh | Krishna Mohan Poluri | Dinesh Kumar | Anupam Guleria
Source: Physica Scripta (article, 2022-12-09)
Field: Materials Science — Materials Chemistry

Role of surface hydrophilicity on MR relaxivity of PEG coated- gadolinium oxide nanoparticles Abstract The magnetic resonance (MR) contrast enhancement capabilities of gadolinium oxide nanoparticles (GONPs) have high dependency on its surface chemistry- as the solution properties such as colloidal stability and hydrodynamic diameter of nanoparticles which are prime regulatory parameter for MR relaxivity, are all governed by grafting density of surface material. However, the purification of synthesized surface coated nanoparticles, without compromising the surface properties, remains a major challenge. Among the various cleaning methods, dialysis is often used to remove the unwanted by-products produced during synthesis. However, the effect of dialysis time may significantly impact the surface properties and hence, the MR contrast properties of such nano-formulations. The aim of the present study is to evaluate the effect of dialysis time on surface chemistry and MR contrast enhancement properties of GONPs by comparing the proton relaxivity data. Ultra-small polyethylene glycol (PEG)-coated GONPs with an average particle diameter of 17 nm were synthesized using polyol method. The impact of dialysis time has been investigated systematically on the size distribution, hydrophilicity, magnetic properties, polymer grafting density and relaxometric properties of the as synthesized GONPs. A significant impact of dialysis time was observed on surface chemistry and hence, on the MR relaxivity of synthesized NPs. We evidenced a dramatic decrease in the proton relaxivities of GONPs with increase in dialysis time, which correlated well with the observed decrease in the grafting density of surface polymer. The results clearly indicate that the proton relaxivity of GONPs of similar size and same coating material depends on the surface coating thickness and hydrophilicity of the coating polymer. Overall, it is essential to optimize the accurate time duration of dialysis treatment as the prolonged dialysis may have negative effect on the relaxation times and hence on MR contrast enhancement properties of GONPs. This study is a strategic pathway to fine-tune the dialysis treatment of as-synthesized surface-capped GONPs for pre-eminent MR contrast imaging. Gadolinium ; Materials science ; Nanoparticle ; Chemical engineering ; Polymer ; PEG ratio ; Coating ; Polystyrene ; Polyethylene glycol ; Grafting ; Particle size ; Adsorption ; Colloid ; Nanotechnology ; Chemistry ; Composite material ; Organic chemistry Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; Electron Spin Resonance Studies
Authors: Guiyin Luo | Yuanliang Jia | Yue Hu | Folei Wu | Maolin Wang | Xiaochuan Chen
Source: Organic & Biomolecular Chemistry (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Practical synthesis of ECH and epoxyquinols A and B from (−)-shikimic acid An efficient synthesis of ECH, epoxyquinols A and B, and two bioactive analogs EqM and RKTS-33 has been completed starting from (-)-shikimic acid. Rapid establishment of the desired epoxyquinol core is facilitated through a key allylic oxidation with high stereoselectivity, which is achieved by fine tuning the cyclohexene substrate structure and reaction conditions. Shikimic acid ; Chemistry ; Allylic rearrangement ; Stereoselectivity ; Cyclohexene ; Substrate (aquarium) ; Stereochemistry ; Combinatorial chemistry ; Organic chemistry ; Catalysis Oxidative Organic Chemistry Reactions ; Synthetic Organic Chemistry Methods ; Microbial Natural Products and Biosynthesis
Authors: Mohsen Moazzami Gudarzi | Seyed Hamed Aboutalebi
Source: Advanced Science (article, 2022-10-17)
Field: Materials Science — Materials Chemistry

Mapping the Binding Energy of Layered Crystals to Macroscopic Observables Van der Waals (vdW) integration of two dimensional (2D) crystals into functional heterostructures emerges as a powerful tool to design new materials with fine-tuned physical properties at an unprecedented precision. The intermolecular forces governing the assembly of vdW heterostructures are investigated by first-principles models, yet translating the outcome of these models to macroscopic observables in layered crystals is missing. Establishing this connection is, therefore, crucial for ultimately designing advanced materials of choice-tailoring the composition to functional device properties. Herein, components from both vdW and non-vdW forces are integrated to build a comprehensive framework that can quantitatively describe the dynamics of these forces in action. Specifically, it is shown that the optical band gap of layered crystals possesses a peculiar ionic character that works as a quantitative indicator of non-vdW forces. Using these two components, it is then described why only a narrow range of exfoliation energies for this class of materials is observed. These findings unlock the microscopic origin of universal binding energy in layered crystals and provide a general protocol to identify and synthesize new crystals to regulate vdW coupling in the next generation of heterostructures. van der Waals force ; Intermolecular force ; Observable ; Exfoliation joint ; Heterojunction ; Ionic bonding ; Chemical physics ; Materials science ; Nanotechnology ; Crystal (programming language) ; Coupling (piping) ; Range (aeronautics) ; Physics ; Computer science ; Graphene ; Quantum mechanics ; Molecule ; Optoelectronics 2D Materials and Applications ; MXene and MAX Phase Materials ; Topological Materials and Phenomena
Authors: Wenyao Chen | Junbo Cao | Wenzhao Fu | Jing Zhang | Gang Qian | Jia Yang | De Chen | Xinggui Zhou | Weikang Yuan | Xuezhi Duan
Source: Angewandte Chemie (article, 2022-02-08)
Field: Materials Science — Materials Chemistry

Molecular‐Level Insights into the Notorious CO Poisoning of Platinum Catalyst Abstract Carbon monoxide (CO) is notorious for its strong adsorption to poison platinum group metal catalysts in the chemical industry. Here, we conceptually distinguish and quantify the effects of the occupancy and energy of d electrons, emerging as the two vital factors in d‐band theory, for CO poisoning of Pt nanocatalysts. The stepwise defunctionalization of carbon support is adopted to fine‐tune the 5d electronic structure of supported Pt nanoparticles. Excluding other promotional mechanisms, the increase of Pt 5d band energy strengthens the competitive adsorption of hydrogen against CO for the preferential oxidation of CO, affording the scaling relationship between Pt 5d band energy and CO/H 2 adsorption energy difference. The decrease of Pt 5d band occupancy lowers CO site coverage to promote its association with oxygen for the total oxidation of CO, giving the scaling relationship between Pt 5d occupancy and activation energy. The above insights outline a molecular‐level understanding of CO poisoning. Nanomaterial-based catalyst ; CO poisoning ; Catalysis ; Platinum ; Carbon monoxide ; Chemistry ; Adsorption ; Photochemistry ; Nanotechnology ; Materials science ; Physical chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Catalysis and Oxidation Reactions
Authors: Zhonglin Li | Yutian Yang | Xiaoxuan Fan | Shuai Guo | Zian Li | Yao Liang | Jie Jiang | Xiaoyuan Sun | Bo Zhong | Yingying Wang | Zhenhua Ni
Source: Laser & Photonics Review (article, 2022-08-15)
Field: Materials Science — Materials Chemistry

Extremely‐Fine Color Printing by 2D Materials with the Synergetic Effects of Fabry–Pérot Cavity and Exciton Absorption Abstract Structural colors based on plasmonic and dielectric nanostructures have become attractive alternatives over adsorbed dyes or pigments in high resolution color printing. The color resolution is determined by the fine‐tuning in optical resonance peak of the nanoresonators, and is strongly restricted by the limited geometrical dimensions. Here, 2D materials including MoS 2 and GaSe are demonstrated as unique materials which generate full color gamut, vivid, and extremely‐fine tuning colors. Attributed to the atomic thickness change in Fabry–Pérot cavity length and exciton‐induced additional absorption, the optical resonance peak could be tuned in the subnanometer level. As a result, the converted xy values from the reflection spectra on the CIE 1931 diagram show an average step of 0.0019 (0.0052) along x ‐axis ( y ‐axis), with a resolution an order of magnitude higher than current plasmonic and dielectric nanoresonators. The suitability of 2D materials on submicrometer color printing is further demonstrated by fabricating color patterns using GaSe flakes and the printed image has resolutions of 50 800 lines‐per‐inch (LPI) and 25 400 dots‐per‐inch (DPI) without color mixing. The color patterns are selectively recognized by different visible light with a wavelength resolution of 20 nm. 2D materials provide new platforms for high‐resolution printing, anticounterfeiting, and high‐density spectrally encoded storage. Structural coloration ; Materials science ; Gamut ; Plasmon ; Fabry–Pérot interferometer ; Optoelectronics ; Absorption (acoustics) ; Optics ; Exciton ; Dielectric ; Wavelength ; Resolution (logic) ; Physics ; Photonic crystal 2D Materials and Applications ; ZnO doping and properties ; Quantum Dots Synthesis And Properties
Authors: Sheng‐Qi Qiu | Yu Chen | Xiang‐Jun Peng | Shi‐Jiang He | Jun Kee Cheng | Yong‐Bin Wang | Shao‐Hua Xiang | Jun Song | Peiyuan Yu | Junmin Zhang | Bin Tan
Source: Angewandte Chemie (article, 2022-09-16)
Field: Chemistry — Organic Chemistry

Asymmetric Construction of an Aryl‐Alkene Axis by Palladium‐Catalyzed Suzuki–Miyaura Coupling Reaction Abstract The application of Suzuki–Miyaura coupling reaction to forge the atropisomeric biaryls has seen remarkable progress but exploration of this chemistry to directly forge chiral C(aryl)‐C(alkene) axis is underdeveloped. The replacement of arene substrates by alkenes intensifies the challenges in terms of reactivity, configurational atropostability of product and selectivity control. By meticulous ligand design and fine‐tuning of reaction parameters, we identified a highly active 3,3′‐triphenylsilyl‐substituted phosphite ligand to realize arene‐alkene Suzuki–Miyaura coupling of hindered aryl halides and vinyl boronates under very mild conditions. The axially chiral acyclic aryl‐alkenes were generated in commendable efficiency, enantioselectivity and E / Z selectivity. Alkene ; Aryl ; Chemistry ; Palladium ; Selectivity ; Ligand (biochemistry) ; Aryl halide ; Enantioselective synthesis ; Catalysis ; Combinatorial chemistry ; Reactivity (psychology) ; Medicinal chemistry ; Organic chemistry ; Alkyl Axial and Atropisomeric Chirality Synthesis ; Molecular spectroscopy and chirality ; Alkaloids: synthesis and pharmacology
Authors: Minh Hoa Nguyễn | Thanh Binh Dinh | Le Anh Thi | Duy Manh Le | Thanh Dam Phḁm | Thi Thu | Hoang Manh Ha | Minh Tân Mẫn
Source: Journal of Materials Science Materials in Electronics (article, 2022-04-05)
Field: Materials Science — Materials Chemistry

Composition-tuned photoluminescence spectra of colloidal CdSexS1−x ternary nanoalloys Ternary operation ; Photoluminescence ; Materials science ; Spectral line ; Colloid ; Chemical engineering ; Crystallography ; Nanotechnology ; Chemistry ; Physical chemistry ; Optoelectronics ; Physics ; Computer science ; Engineering Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Oliver B. Penrhyn-Lowe | Savannah R. Cassin | Pierre Chambon | Steve P. Rannard
Source: Nanoscale Advances (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Controlling the pH-response of branched copolymer nanoprecipitates synthesised by transfer-dominated branching radical telomerisation (TBRT) through telogen chemistry and spatial distribution of tertiary amine functionality Amine functionality offers the modification of polymer properties to enable stimuli-responsive behaviour, and this feature has been utilised in numerous studies of self-assembly and disassembly. The ability to place amines as pendant groups along linear polymer backbones within distinct blocks, at chain ends or as statistical mixtures with other functionalities, has allowed fine tuning of responses to pH. Here we study and compare the placement of amines within the backbones or as pendant groups within polyesters synthesised by the newly reported transfer-dominated branching radical telomerisation (TBRT). Branched polymers with backbone amines are clearly shown to undergo dissolution that is determined by pH and telogen selection; they undergo nanoprecipitation only when hydrophilic telogens are present within their structure and provide nanoprecipitates that are highly sensitive to the addition of acid. In contrast, TBRT polymers with pendant amines form uniform nanoparticles with remarkable stability to pH changes, under identical nanoprecipitation conditions. The behaviour differences shown here open new avenues of synthetic flexibility for pH-responsive polymer design using TBRT. Branching (polymer chemistry) ; Polymer ; Dissolution ; Chemistry ; Amine gas treating ; Copolymer ; Polymer chemistry ; Polyester ; Chemical engineering ; Materials science ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Molecular Junctions and Nanostructures