jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Michael Kathan | Stefano Crespi | Axel Troncossi | Charlotte N. Stindt | Ryojun Toyoda | Ben L. Feringa
Source: Angewandte Chemie International Edition (article, 2022-06-20)
Field: Chemistry — Organic Chemistry

The Influence of Strain on the Rotation of an Artificial Molecular Motor In artificial small-molecule machines, molecular motors can be used to perform work on coupled systems by applying a mechanical load-such as strain-that allows for energy transduction. Here, we report how ring strain influences the rotation of a rotary molecular motor. Bridging the two halves of the motor with alkyl tethers of varying sizes yields macrocycles that constrain the motor's movement. Increasing the ring size by two methylene increments increases the mobility of the motor stepwise and allows for fine-tuning of strain in the system. Small macrocycles (8-14 methylene units) only undergo a photochemical E/Z isomerization. Larger macrocycles (16-22 methylene units) can perform a full rotational cycle, but thermal helix inversion is strongly dependent on the ring size. This study provides systematic and quantitative insight into the behavior of molecular motors under a mechanical load, paving the way for the development of complex coupled nanomachinery. Molecular motor ; Methylene ; Molecular machine ; Isomerization ; Strain (injury) ; Rotation (mathematics) ; Materials science ; Molecule ; Chemical physics ; Chemistry ; Nanotechnology ; Computer science Supramolecular Chemistry and Complexes ; Magnetism in coordination complexes ; Advanced NMR Techniques and Applications
Authors: Lei Wang | Huan Peng | Shunli Shi | Sheng-chen Li | Shunmin Ding | Dan Zhao | Shuhua Wang | Chao Chen
Source: Applied Surface Science (article, 2022-10-28)
Field: Materials Science — Materials Chemistry

Microwave non-thermal fusion of MOFs derived Cu-O-Ce interface for boosting CO preferential oxidation Boosting (machine learning) ; Fusion ; Materials science ; Microwave ; Thermal ; Thermal oxidation ; Chemical engineering ; Chemistry ; Nanotechnology ; Thermodynamics ; Computer science ; Physics ; Engineering Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Catalysis and Oxidation Reactions
Authors: Jing Jiang | Wei Wei | Ying Tang | Shiyu Yang | Xinzhi Wang | Ying Xu | Lunhong Ai
Source: Inorganic Chemistry (article, 2022-12-01)
Field: Chemistry — Organic Chemistry

In Situ Implantation of Bi<sub>2</sub>S<sub>3</sub> Nanorods into Porous Quasi-Bi-MOF Architectures: Enabling Synergistic Dissociation of Borohydride for an Efficient and Fast Catalytic Reduction of 4-Nitrophenol Catalytic hydrogenation reduction based on sodium borohydride (NaBH<sub>4</sub>) has gained attention as an appealing "one-stone-two-birds" approach for the simultaneous elimination of nitroaromatic pollutants and the production of high-value aminoaromatics under mild conditions. However, the slow kinetics of NaBH<sub>4</sub> dissociation on the surface of catalysts restrict the catalytic hydrogenation reduction efficiency. Herein, we report an intelligent localized sulfidation strategy for an in situ implantation of Bi<sub>2</sub>S<sub>3</sub> nanorods within quasi-Bi-MOF architectures (Bi<sub>2</sub>S<sub>3</sub>@quasi-Bi-MOF) by fine-tuning the pyrolysis temperature. In this novel Bi<sub>2</sub>S<sub>3</sub>@quasi-Bi-MOF, the porous quasi-Bi-MOF enables efficient adsorption of BH<sub>4</sub><sup>-</sup> and 4-nitrophenol (4-NP), while Bi<sub>2</sub>S<sub>3</sub> facilitates the BH<sub>4</sub><sup>-</sup> dissociation to form H<sub>ads</sub>* species adsorbed on the catalyst surface. Benefiting from the synergistic structure, Bi<sub>2</sub>S<sub>3</sub>@quasi-Bi-MOF exhibits excellent performance for the catalytic reduction of 4-NP, delivering a high turnover frequency (TOF) of 1.67 × 10<sup>-4</sup> mmol mg<sup>-1</sup> min<sup>-1</sup> and an extremely high normalized rate constant (<i>k</i><sub>nor</sub>) of 435298 s<sup>-1</sup> g<sup>-1</sup>. The kinetic analysis and electrochemical tests indicate that this catalytic hydrogenation reduction follows the Langmuir-Hinshelwood mechanism. This study enriches the synthetic strategy of MOF-based derivatives and offers a new catalytic platform for hydrogenation reduction reactions. Sodium borohydride ; Chemistry ; Catalysis ; Nanorod ; Dissociation (chemistry) ; Adsorption ; Borohydride ; Chemical engineering ; Selective catalytic reduction ; Porosity ; Inorganic chemistry ; Reaction rate constant ; Specific surface area ; Kinetics ; Physical chemistry ; Organic chemistry Nanomaterials for catalytic reactions ; Advanced Photocatalysis Techniques ; MXene and MAX Phase Materials
Authors: Hang Heng | Qianqian Deng | Yipeng Yang | Fang Wang
Source: International Journal of Molecular Sciences (review, 2022-08-05)
Field: Materials Science — Biomaterials

Recent Research Progress of Ionic Liquid Dissolving Silks for Biomedicine and Tissue Engineering Applications Ionic liquids (ILs) show a bright application prospect in the field of biomedicine and energy materials due to their unique recyclable, modifiability, structure of cation and anion adjustability, as well as excellent physical and chemical properties. Dissolving silk fibroin (SF), from different species silkworm cocoons, with ILs is considered an effective new way to obtain biomaterials with highly enhanced/tailored properties, which can significantly overcome the shortcomings of traditional preparation methods, such as the cumbersome, time-consuming and the organic toxicity caused by manufacture. In this paper, the basic structure and properties of SF and the preparation methods of traditional regenerated SF solution are first introduced. Then, the dissolving mechanism and main influencing factors of ILs for SF are expounded, and the fabrication methods, material structure and properties of SF blending with natural biological protein, inorganic matter, synthetic polymer, carbon nanotube and graphene oxide in the ILs solution system are introduced. Additionally, our work summarizes the biomedicine and tissue engineering applications of silk-based materials dissolved through various ILs. Finally, according to the deficiency of ILs for dissolving SF at a high melting point and expensive cost, their further study and future development trend are prospected. Dissolution ; Fibroin ; Ionic liquid ; Materials science ; Nanotechnology ; Polymer ; Graphene ; SILK ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material ; Engineering Silk-based biomaterials and applications ; Electrospun Nanofibers in Biomedical Applications ; Surface Modification and Superhydrophobicity
Authors: Jonas Bachmann | Andreas Helbig | Merian Crumbach | Ivo Krummenacher | Holger Braunschweig | Holger Helten
Source: Chemistry - A European Journal (article, 2022-08-09)
Field: Chemistry — Organic Chemistry

Fusion of Aza‐ and Oxadiborepins with Furans in a Reversible Ring‐Opening Process Furnishes Versatile Building Blocks for Extended π‐Conjugated Materials A modular synthesis of both difurooxa- and difuroazadiborepins from a common precursor is demonstrated. Starting from 2,2'-bifuran, after protection of the positions 5 and 5' with bulky silyl groups, formation of the novel polycycles proceeds through opening of the furan rings to a dialkyne and subsequent re-cyclization in the borylation step. The resulting bifuran-fused diborepins show pronounced stability, highly planar tricyclic structures, and intense blue light emission. Deprotection and transformation into dibrominated building blocks that can be incorporated into π-extended materials can be performed in one step. Detailed DFT calculations provide information about the aromaticity of the constituent rings of this polycycle. Conjugated system ; Ring (chemistry) ; Process (computing) ; Fusion ; Materials science ; Combinatorial chemistry ; Chemistry ; Nanotechnology ; Computer science ; Organic chemistry ; Polymer ; Programming language Synthesis and Properties of Aromatic Compounds ; Organoboron and organosilicon chemistry ; Luminescence and Fluorescent Materials
Authors: Qianchun Zhang | Shuxin Du | Fengling Tian | Xixi Long | Siqi Xie | Shan Tang | Linchun Bao
Source: Molecules (article, 2022-07-19)
Field: Materials Science — Materials Chemistry

Silver Nanoparticle-Functionalised Nitrogen-Doped Carbon Quantum Dots for the Highly Efficient Determination of Uric Acid The fabrication of efficient fluorescent probes that possess an excellent sensitivity and selectivity for uric acid is highly desirable and challenging. In this study, composites of silver nanoparticles (AgNPs) wrapped with nitrogen-doped carbon quantum dots (N-CQDs) were synthesised utilising N-CQDs as the reducing and stabilising agents in a single reaction with AgNO<sub>3</sub>. The morphology and structure, absorption properties, functional groups, and fluorescence properties were characterised by transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, ultraviolet spectroscopy, fluorescence spectroscopy, and X-ray diffraction spectroscopy. In addition, we developed a novel method based on AgNPs/N-CQDs for the detection of uric acid using the enzymatic reaction of uric acid oxidase. The fluorescence enhancement of the AgNPs/N-CQDs composite was linear (<i>R</i><sup>2</sup> = 0.9971) in the range of 2.0-60 μmol/L, and gave a detection limit of 0.53 μmol/L. Trace uric acid was successfully determined in real serum samples from the serum of 10 healthy candidates and 10 gout patients, and the results were consistent with those recorded by Qianxinan Prefecture People's Hospital. These results indicate that the developed AgNP/N-CQD system can provide a universal platform for detecting the multispecies ratio fluorescence of H<sub>2</sub>O<sub>2</sub> generation in other biological systems. Fourier transform infrared spectroscopy ; Fluorescence ; Silver nanoparticle ; Fluorescence spectroscopy ; X-ray photoelectron spectroscopy ; Spectroscopy ; Detection limit ; Absorption spectroscopy ; Nuclear chemistry ; Materials science ; Nanoparticle ; Transmission electron microscopy ; Chemistry ; Absorption (acoustics) ; Uric acid ; Analytical Chemistry (journal) ; Nanotechnology ; Chemical engineering ; Organic chemistry ; Chromatography ; Biochemistry Carbon and Quantum Dots Applications ; Electrochemical sensors and biosensors ; Advanced Nanomaterials in Catalysis
Authors: Shahzad Hafeez | Fiona R. Passanha | Antonio J. Feliciano | Floor A.A. Ruiter | Afonso Malheiro | René P. M. Lafleur | Nicholas M. Matsumoto | Clemens van Blitterswijk | Lorenzo Moroni | Paul Wieringa | Vanessa L.S. LaPointe | Matthew B. Baker
Source: Biomaterials Science (article, 2022-01-01)
Field: Materials Science — Biomaterials

Modular mixing of benzene-1,3,5-tricarboxamide supramolecular hydrogelators allows tunable biomimetic hydrogels for control of cell aggregation in 3D Few synthetic hydrogels can mimic both the viscoelasticity and supramolecular fibrous structure found in the naturally occurring extracellular matrix (ECM). Furthermore, the ability to control the viscoelasticity of fibrous supramolecular hydrogel networks to influence cell culture remains a challenge. Here, we show that modular mixing of supramolecular architectures with slow and fast exchange dynamics can provide a suitable environment for multiple cell types and influence cellular aggregation. We employed modular mixing of two synthetic benzene-1,3,5-tricarboxamide (BTA) architectures: a small molecule water-soluble BTA with slow exchange dynamics and a telechelic polymeric BTA-PEG-BTA with fast exchange dynamics. Copolymerisation of these two supramolecular architectures was observed, and all tested formulations formed stable hydrogels in water and cell culture media. We found that rational tuning of mechanical and viscoelastic properties is possible by mixing BTA with BTA-PEG-BTA. These hydrogels showed high viability for both chondrocyte (ATDC5) and human dermal fibroblast (HDF) encapsulation (>80%) and supported neuronal outgrowth (PC12 and dorsal root ganglion, DRG). Furthermore, ATDC5s and human mesenchymal stem cells (hMSCs) were able to form spheroids within these viscoelastic hydrogels, with control over cell aggregation modulated by the dynamic properties of the material. Overall, this study shows that modular mixing of supramolecular architectures enables tunable fibrous hydrogels, creating a biomimetic environment for cell encapsulation. These materials are suitable for the formation and culture of spheroids in 3D, critical for upscaling tissue engineering approaches towards cell densities relevant for physiological tissues. Self-healing hydrogels ; Chemistry ; Mixing (physics) ; Supramolecular chemistry ; Benzene ; Modular design ; Chemical engineering ; Combinatorial chemistry ; Nanotechnology ; Organic chemistry ; Materials science ; Molecule ; Computer science Supramolecular Self-Assembly in Materials ; Hydrogels: synthesis, properties, applications ; Advanced Materials and Mechanics
Authors: Shaili Falina | Khairu Anuar | Saiful Arifin Shafiee | Joon Ching Juan | Asrulnizam Abd Manaf | Hiroshi Kawarada | Mohd Syamsul
Source: Sensors (review, 2022-12-01)
Field: Materials Science — Materials Chemistry

Two-Dimensional Non-Carbon Materials-Based Electrochemical Printed Sensors: An Updated Review Recently, there has been increasing interest in electrochemical printed sensors for a wide range of applications such as biomedical, pharmaceutical, food safety, and environmental fields. A major challenge is to obtain selective, sensitive, and reliable sensing platforms that can meet the stringent performance requirements of these application areas. Two-dimensional (2D) nanomaterials advances have accelerated the performance of electrochemical sensors towards more practical approaches. This review discusses the recent development of electrochemical printed sensors, with emphasis on the integration of non-carbon 2D materials as sensing platforms. A brief introduction to printed electrochemical sensors and electrochemical technique analysis are presented in the first section of this review. Subsequently, sensor surface functionalization and modification techniques including drop-casting, electrodeposition, and printing of functional ink are discussed. In the next section, we review recent insights into novel fabrication methodologies, electrochemical techniques, and sensors' performances of the most used transition metal dichalcogenides materials (such as MoS<sub>2</sub>, MoSe<sub>2</sub>, and WS<sub>2</sub>), MXenes, and hexagonal boron-nitride (hBN). Finally, the challenges that are faced by electrochemical printed sensors are highlighted in the conclusion. This review is not only useful to provide insights for researchers that are currently working in the related area, but also instructive to the ones new to this field. Nanotechnology ; Materials science ; MXenes ; Surface modification ; Nanomaterials ; Computer science ; Mechanical engineering ; Engineering MXene and MAX Phase Materials ; Advanced biosensing and bioanalysis techniques ; 2D Materials and Applications
Authors: Anna N. Matveyeva | Shamil O. Omarov | М. А. Гаврилова | Dmitry A. Sladkovskiy | Dmitry Yu. Murzin
Source: Materials (article, 2022-11-11)
Field: Materials Science — Materials Chemistry

CeFeO3–CeO2–Fe2O3 Systems: Synthesis by Solution Combustion Method and Catalytic Performance in CO2 Hydrogenation Rare-earth orthoferrites have found wide application in thermocatalytic reduction-oxidation processes. Much less attention has been paid, however, to the production of CeFeO<sub>3</sub>, as well as to the study of its physicochemical and catalytic properties, in particular, in the promising process of CO<sub>2</sub> utilization by hydrogenation to CO and hydrocarbons. This study presents the results of a study on the synthesis of CeFeO<sub>3</sub> by solution combustion synthesis (SCS) using various fuels, fuel-to-oxidizer ratios, and additives. The SCS products were characterized by XRD, FTIR, N<sub>2</sub>-physisorption, SEM, DTA-TGA, and H<sub>2</sub>-TPR. It has been established that glycine provides the best yield of CeFeO<sub>3</sub>, while the addition of NH<sub>4</sub>NO<sub>3</sub> promotes an increase in the amount of CeFeO<sub>3</sub> by 7-12 wt%. In addition, the synthesis of CeFeO<sub>3</sub> with the participation of NH<sub>4</sub>NO<sub>3</sub> makes it possible to surpass the activity of the CeO<sub>2</sub>-Fe<sub>2</sub>O<sub>3</sub> system at low temperatures (300-400 °C), as well as to increase selectivity to hydrocarbons. The observed effects are due to the increased gas evolution and ejection of reactive FeO<sub>x</sub> nanoparticles on the surface of crystallites, and an increase in the surface defects. CeFeO<sub>3</sub> obtained in this study allows for achieving higher CO<sub>2</sub> conversion compared to LaFeO<sub>3</sub> at 600 °C. Physisorption ; Catalysis ; Combustion ; Selectivity ; Chemical engineering ; Crystallite ; Fourier transform infrared spectroscopy ; Yield (engineering) ; Materials science ; Nanoparticle ; Chemistry ; Inorganic chemistry ; Organic chemistry ; Metallurgy ; Nanotechnology Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysts for Methane Reforming
Authors: Andrea Bistrović | Francesca Melle | Emily Linnane | Cristina González‐López | Ishtiaq Ahmed | Badri Parshad | Christoph O. Franck | Hassan Rahmoune | Frances M. Richards | Daniel Muñoz‐Espín | Duncan I. Jodrell | David Fairen‐Jiménez | Ljiljana Fruk
Source: Nanoscale (article, 2022-01-01)
Field: Materials Science — Biomaterials

Size-tuneable and immunocompatible polymer nanocarriers for drug delivery in pancreatic cancer Nanocarriers have emerged as one of the most promising approaches for drug delivery. Although several nanomaterials have been approved for clinical use, the translation from lab to clinic remains challenging. However, by implementing rational design strategies and using relevant models for their validation, these challenges are being addressed. This work describes the design of novel immunocompatible polymer nanocarriers made of melanin-mimetic polydopamine and Pluronic F127 units. The nanocarrier preparation was conducted under mild conditions, using a highly reproducible method that was tuned to provide a range of particle sizes (<100 nm) without changing the composition of the carrier. A set of <i>in vitro</i> studies were conducted to provide a comprehensive assessment of the effect of carrier size (40, 60 and 100 nm) on immunocompatibility, viability and uptake into different pancreatic cancer cells varying in morphological and phenotypic characteristics. Pancreatic cancer is characterised by poor treatment efficacy and no improvement in patient survival in the last 40 years due to the complex biology of the solid tumour. High intra- and inter-tumoral heterogeneity and a dense tumour microenvironment limit diffusion and therapeutic response. The Pluronic-polydopamine nanocarriers were employed for the delivery of irinotecan active metabolite SN38, which is used in the treatment of pancreatic cancer. Increased antiproliferative effect was observed in all tested cell lines after administration of the drug encapsulated within the carrier, indicating the system's potential as a therapeutic agent for this hard-to-treat cancer. Nanocarriers ; Pancreatic cancer ; Drug delivery ; Nanotechnology ; Materials science ; Drug ; Polymer ; Cancer drugs ; Targeted drug delivery ; Cancer ; Medicine ; Pharmacology ; Internal medicine Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanomaterials for catalytic reactions
Authors: Zhenzhen Yang | Anli Yang | Wang Ma | Kai Ma | Ya‐Kun Lv | Peng Peng | Shuang‐Quan Zang | Bingjie Li
Source: Journal of Nanobiotechnology (article, 2022-01-06)
Field: Materials Science — Materials Chemistry

Atom-precise fluorescent copper cluster for tumor microenvironment targeting and transient chemodynamic cancer therapy This work not only reported a promising candidate for chemodynamic cancer therapy, but also paved the route to address clinical issues at the atomic level. Tumor microenvironment ; Chemistry ; Fluorescence ; Copper ; Cancer therapy ; Biophysics ; Cancer ; Tumor cells ; Cancer research ; Biology ; Physics ; Genetics Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Authors: Xavier Gómez‐Santacana | Silvia Panarello | Xavier Rovira | Amadeu Llebaria
Source: Current Opinion in Pharmacology (review, 2022-07-20)
Field: Materials Science — Materials Chemistry

Photoswitchable allosteric modulators for metabotropic glutamate receptors Metabotropic glutamate receptors (mGlu) are a family of class C G protein-coupled receptors (GPCRs) with important biological functions and widespread expression. The mechanisms of mGlu activation and the development of allosteric modulators for these dimeric proteins have attracted singular attention including the use of light regulated ligands. Photopharmacology involves the integration of a photoactive moiety into the ligand structure that following specific illumination undergoes a structural rearrangement and changes its biological activity. The use of light-regulated allosteric ligands offers the opportunity to manipulate mGlu signalling with spatiotemporal precision, unattainable with classical pharmacological approaches. In this review, we will discuss some of the innovations that have been made in the allosteric photopharmacology of mGlu receptors to date. We discuss the prospects of these molecular tools in the control of mGluRs and the new perspectives in understanding mGlu mechanisms, pharmacology and (patho)physiology that can ultimately result in innovative drug discovery concepts. Allosteric regulation ; Metabotropic glutamate receptor ; G protein-coupled receptor ; Allosteric modulator ; Class C GPCR ; Metabotropic glutamate receptor 2 ; Metabotropic receptor ; Glutamate receptor ; Neuroscience ; Receptor ; Biology ; Drug discovery ; Computational biology ; Biochemistry Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Receptor Mechanisms and Signaling