jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Herbert Plenio | Yoshinao Shinozaki | Stepan Popov
Source: ChemRxiv (preprint, 2022-11-30)
Field: Chemistry — Organic Chemistry

Fluorescent Organometallic Dyads and Triads: Establishing spatial Relationships FRET pairs involving up to three different Bodipy dyes are utilized to provide information on the assembly/disassembly of organometallic complexes. Azolium salts tagged with chemically robust and photostable blue or green or red fluorescent Bodipy, respectively, were synthesized and the azolium salts used to prepare metal complexes [(NHC_blue)ML], [(NHC_green)ML] and [(NHC_red)ML] (ML = Pd(allyl)Cl, IrCl(cod), RhCl(cod), AuCl, Au(NTf2), CuBr). The blue and the green Bodipy and the green and the red Bodipy, respectively, were designed to allow the formation of efficient FRET pairs with minimal cross-talk. Organometallic dyads formed from two subunits enable the transfer of excitation energy from the donor dye to the acceptor dye. The blue, green and red emission provide three information channels on the formation of complexes, which is demonstrated for alkyne or sulfur bridged digold species and for ion pairing of a red fluorescent cation and a green fluorescent anion. This approach is extended to probe an assembly of three different subunits. In such a triad, each component is tagged with either a blue, a green or a red Bodipy and the energy transfer blue green  red proves the formation of the triad. The tagging of molecular components with robust fluorophores can be a general strategy in (organometallic) chemistry to establish connectivities for intermediates in homogeneous catalysis BODIPY ; Fluorescence ; Chemistry ; Organometallic chemistry ; Photochemistry ; Triad (sociology) ; Förster resonance energy transfer ; Acceptor ; Catalysis ; Combinatorial chemistry ; Organic chemistry Catalytic Cross-Coupling Reactions ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Organoboron and organosilicon chemistry
Authors: Herbert Plenio | Yoshinao Shinozaki | Stepan Popov
Source: ChemRxiv (preprint, 2022-12-01)
Field: Chemistry — Organic Chemistry

Fluorescent Organometallic Dyads and Triads: Establishing spatial Relationships FRET pairs involving up to three different Bodipy dyes are utilized to provide information on the assembly/disassembly of organometallic complexes. Azolium salts tagged with chemically robust and photostable blue or green or red fluorescent Bodipy, respectively, were synthesized and the azolium salts used to prepare metal complexes [(NHC_blue)ML], [(NHC_green)ML] and [(NHC_red)ML] (ML = Pd(allyl)Cl, IrCl(cod), RhCl(cod), AuCl, Au(NTf2), CuBr). The blue and the green Bodipy and the green and the red Bodipy, respectively, were designed to allow the formation of efficient FRET pairs with minimal cross-talk. Organometallic dyads formed from two subunits enable the transfer of excitation energy from the donor dye to the acceptor dye. The blue, green and red emission provide three information channels on the formation of complexes, which is demonstrated for alkyne or sulfur bridged digold species and for ion pairing of a red fluorescent cation and a green fluorescent anion. This approach is extended to probe an assembly of three different subunits. In such a triad, each component is tagged with either a blue, a green or a red Bodipy and the energy transfer blue green  red proves the formation of the triad. The tagging of molecular components with robust fluorophores can be a general strategy in (organometallic) chemistry to establish connectivities for intermediates in homogeneous catalysis BODIPY ; Fluorescence ; Chemistry ; Photochemistry ; Organometallic chemistry ; Triad (sociology) ; Förster resonance energy transfer ; Acceptor ; Energy transfer ; Catalysis ; Combinatorial chemistry ; Organic chemistry Catalytic Cross-Coupling Reactions ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Organoboron and organosilicon chemistry
Authors: Dana Kolibachuk | Benjamin J. Ryder | Edward R. Lyons | Ariel Woolsey | Margaret K. Lopes | Keya Thakkar | Mayelin Pacheco Nunez | Michaela Duquenoy | Nevan R. Valente | Ashley Nieves
Source: PLoS ONE (article, 2022-12-07)
Field: Materials Science — Biomaterials

Using runaway replication to express polyhydroxyalkanoic acid (pha) genes from a novel marine bacterium in enteric bacteria: The influence of temperature and phasins on PHA accumulation While plastics have revolutionized our world, plastic waste has serious environmental and economic impacts. Polyhydroxyalkanoic acid (PHA) is a bacterial carbon and energy reserve shown to be both biodegradable and biocompatible and could potentially replace conventional plastics. However, cost-effective mass production remains elusive. Bacteria often accumulate PHA as cytoplasmic granules. PHA synthase creates the PHA polymer from acetoacyl-CoA monomers, while phasins are small multifunctional proteins that are found in abundance on the granule surface. The PHA synthase gene from a novel marine isolate, Vibrio B-18 (or B-18), was placed in the presence or absence of an upstream phasin gene in a runaway replication plasmid using polymerase chain reaction (PCR) technology. Plasmid gene expression may be induced chemically or thermally. Overexpression of the PHA genes was demonstrated by SDS-PAGE analysis, and microscopy was used to detect PHA accumulation in three different enteric bacteria (Escherichia coli, Klebsiella aerogenes, and Shigella flexneri). While the B-18 genes were clearly overexpressed at 41°C, PHA accumulation occurred more readily at the lower (30°C) non-inducing temperature regardless of chemical induction if the phasin gene was present. A mutational analysis confirmed the identity of the start codon for the PHA synthase gene and provided evidence supporting the requirement for phasins to allow for PHA accumulation in the recombinant hosts. The findings described in this study confirm the conclusions obtained from related studies from other laboratories and lend support to the importance of including a phasin gene in addition to the basic genes needed for PHA synthesis and accumulation in recombinant enteric bacteria, such as Escherichia coli, Klebsiella aerogenes, and Shigella flexneri. Bacteria ; Escherichia coli ; Gene ; Plasmid ; Biology ; Polyhydroxyalkanoates ; Microbiology ; Shigella flexneri ; Biochemistry ; Molecular biology ; Genetics biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Graphene and Nanomaterials Applications
Authors: Liu Zhaoyang | Fu Shuai | Liu Xiaomin | Narita Akimitsu | Samorì Paolo | Bonn Mischa | Wang Hai I.
Source: Institutional Repositories DataBase (IRDB) (article, 2022-02-26)
Field: Materials Science — Materials Chemistry

Small Size, Big Impact: Recent Progress in Bottom‐Up Synthesized Nanographenes for Optoelectronic and Energy Applications Bottom-up synthesized graphene nanostructures, including 0D graphene quantum dots and 1D graphene nanoribbons, have recently emerged as promising candidates for efficient, green optoelectronic, and energy storage applications. The versatility in their molecular structures offers a large and novel library of nanographenes with excellent and adjustable optical, electronic, and catalytic properties. In this minireview, recent progress on the fundamental understanding of the properties of different graphene nanostructures, and their state-of-the-art applications in optoelectronics and energy storage are summarized. The properties of pristine nanographenes, including high emissivity and intriguing blinking effect in graphene quantum dots, superior charge transport properties in graphene nanoribbons, and edge-specific electrochemistry in various graphene nanostructures, are highlighted. Furthermore, it is shown that emerging nanographene-2D material-based van der Waals heterostructures provide an exciting opportunity for efficient green optoelectronics with tunable characteristics. Finally, challenges and opportunities of the field are highlighted by offering guidelines for future combined efforts in the synthesis, assembly, spectroscopic, and electrical studies as well as (nano)fabrication to boost the progress toward advanced device applications. Graphene ; Heterojunction ; Quantum dot ; van der Waals force ; Photonics ; Energy transformation Graphene research and applications ; Carbon and Quantum Dots Applications ; 2D Materials and Applications
Authors: Dan Zhao | Lijun Song | Jinlei Li | Fenglong Lin | Shenglong Wang | Yincai Wu | Fulin Lin
Source: Materials Advances (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Color-tunable persistent luminescence hybrid materials<i>via</i>radiative energy transfer Colorful, persistent luminescence materials are in great demand in many technological fields but their synthesis remains a challenge. Luminescence ; Energy transfer ; Radiative transfer ; Materials science ; Optoelectronics ; Radiant energy ; Persistent luminescence ; Engineering physics ; Optics ; Physics ; Radiation Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics
Authors: G. Malathi G. Malathi | C. Thillaiyadi Valliammai | Rahul Ratnakar Mahamuni | Anthati Sreenivasulu | J. Madhusudhanan J. Madhusudhanan | M.I. Niyas Ahamed
Source: Oriental Journal Of Chemistry (article, 2022-10-31)
Field: Chemistry — Electrochemistry

Extensive Research and Evaluation of Electro-Organic Synthesis of Nanomaterials Electricity is being used more directly and artificially than before. Working in a lab with a stronger synthetic emphasis enables the deployment of fresh ideas as well as ones that have been revived from earlier attempts in a wider range of situations. The amount of waste is decreased by using only electrons as reagents. Regenerating stoichiometric reagents in the correct molecular ratio can help electro catalytic catalysis. While minimizing waste is important, doing so also results in quicker and easier processes, gentler transitions, and the availability of more options, such as structural entities and IP space. Regenerative electricity can be used to give a terminal oxidizer or reducing agent that is extremely sustainable, which makes it a very alluring technology. Future electricity will be variable and plentiful, which will be very advantageous for value-added chemicals. The efficient conversion of renewable bio-based feedstocks serves as the first example of how contemporary electro-organic technologies can replace complex conventional processes. A new wave of sustainable chemistry will emerge if these obstacles are removed. This article takes a look at some recent developments in electrochemical synthesis that will undoubtedly affect how the discipline develops in the future. Green chemistry ; Software deployment ; Material chemistry ; Electricity ; Biochemical engineering ; Renewable energy ; Nanotechnology ; Reagent ; Process engineering ; Chemistry ; Catalysis ; Computer science ; Engineering ; Organic chemistry ; Materials science ; Reaction mechanism ; Electrical engineering Electrochemical Analysis and Applications ; Nanoparticles: synthesis and applications ; Chemistry and Chemical Engineering
Authors: Prakriti Mishra | Naushin Bano | Irfan Ahmad Ansari
Source: Journal of Ecophysiology and Occupational Health (article, 2022-04-05)
Field: Materials Science — Materials Chemistry

Biogenic Synthesis and characterization of Zinc oxide Nanoparticles by Using Green Machinery: Antibacterial and Antibiofilm potential In the field of biomedicine, the green synthesis of Zinc Oxide Nanoparticles (ZnONPs) utilising plant extracts has piqued interest. The reduction nature of herbal extracts has recently aided in the production of spherical ZnONPs of various potentials from zinc salt. In this study, fresh leaf (aqueous) extracts of Cannabis sativa were used as reducing and stabilising agents in a rapid, environmentally friendly approach for the synthesis of ZnONPs. UV–VIS and Fourier transform infrared spectroscopy, as well as transmission electron microscopy, were used to analyse the biosynthesized CNS-ZnONPs (TEM). The antibacterial and antibiofilm properties of produced CNS-ZnONPs were also studied in vitro. The presence of a prominent absorption peak at 380 nm, which corresponds to the CNSZnONPs’ Surface Plasmon Resonance (SPR) band, indicated the creation of CNS-ZnONPs. The produced CNS-ZnONPs were spherical in shape, with an average particle size of 16.25 nm, according to TEM examination. The synthesised CNS-ZnONPs also showed significant antibacterial activity against a variety of Gram-positive and Gram-negative microorganisms. Furthermore, the biosynthesized CNSZnONPs significantly reduced biofilm formation. Cannabis sativa leaf extracts may be utilised to easily synthesise ZnONPs, which can be employed as a natural source of antibacterial and antibiofilm agents. Zinc ; Antibacterial activity ; Nuclear chemistry ; Biofilm ; Surface plasmon resonance ; Chemistry ; Aqueous solution ; Nanoparticle ; Materials science ; Nanotechnology ; Bacteria ; Organic chemistry ; Biology Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection
Authors: А. А. Blinova | M. A. Yasnaya | Давид Гурамиевич Маглакелидзе | М.А. Тараванов | В.А. Лапин | Pavel Sergeevich Leontiev
Source: Physical and Chemical Aspects of the Study of Clusters Nanostructures and Nanomaterials (article, 2022-12-15)
Field: Materials Science — Materials Chemistry

STUDY OF THE STRUCTURE AND PROPERTIES OF ZINC SILICATE STABILIZED WITH L-HISTIDINE В данной работе представлены результаты исследования процесса стабилизации наночастиц силиката цинка с использованием аминокислоты L-гистидина. В качестве прекурсора использовали ацетат цинка, в качестве осадителя -силикат натрия, стабилизатором выступала аминокислота L-гистидин. Синтез осуществляли методом химического осаждения в водной среде. Провели синхронный термический анализ, в результате которого установлено, что добавление аминокислоты в наноразмерный силикат цинка оказывает большое влияние на кристаллическую структуру и термические переходы для данного материала. Далее провели рентгенофазовый анализ, который показал, что частицы силиката цинка имеют аморфную структуру и находятся в наноразмерном состоянии. Затем исследовали процесс взаимодействия аминокислоты с частицей силиката цинка методом ИК-спектроскопии. Результаты исследования показали, что стабилизация частиц сопровождается образованием химической связи между кремнием в молекуле силиката цинка и аминогруппой в молекуле L-гистидина. This paper presents the results of a study of the process of stabilization of zinc silicate nanoparticles using the amino acid L-histidine. Zinc acetate was used as a precursor, sodium silicate was used as a precipitant, and the amino acid L -histidine acted as a stabilizer. Synthesis was carried out by chemical precipitation in an aqueous medium. A simultaneous thermal analysis was carried out, as a result of which it was found that the addition of an amino acid to nanosized zinc silicate has a great influence on the crystal structure and thermal transitions for this material. Next, the X-ray phase analysis was carried out, which showed that of zinc silicate particles have an amorphous structure and are in a nanoscale state. At the next stage of the work, the process of interaction of an amino acid with a zinc silicate particle was studied by IR spectroscopy. The results of the study showed that stabilization of particles is accompanied by the formation of a chemical bond between silicon in the zinc silicate molecule and the amino group in the L -histidine molecule. Zinc ; Silicate ; Histidine ; Inorganic chemistry ; Molecule ; Chemistry ; Amino acid ; Sodium silicate ; Materials science ; Organic chemistry ; Metallurgy ; Biochemistry Mesoporous Materials and Catalysis ; Aerogels and thermal insulation ; Adsorption, diffusion, and thermodynamic properties of materials
Authors: Yu̅ta Hioki | Matteo Costantini | Jeremy Griffin | Kaid C. Harper | Melania Prado Merini | Benedikt Nissl | Yu Kawamata | Phil S. Baran
Source: ChemRxiv (preprint, 2022-10-26)
Field: Chemistry — Organic Chemistry

Overcoming the Limitations of Kolbe Coupling via Waveform-Controlled Electrosynthesis The Kolbe reaction has seen limited applications owing to its extremely poor chemoselectivity and reliance on precious metal-based electrodes, despite its potential to be one of the workhorse reactions of organic synthesis for C–C bond formation in both discovery and process settings. Although hundreds of studies over a century aimed to improve its efficiency and selectivity, general solutions have yet to be found. Herein, an exceedingly simple solution to this long-standing challenge is presented by merely tuning the waveform employed. Thus, switching from classic direct current (DC) to rapid alternating polarity (rAP), a broad range of functional groups can now be tolerated using inexpensive and sustainable carbon-based electrodes. A variety of high-value molecules ranging from useful unnatural amino acids to promising polymer building blocks are now accessible from readily available carboxylic acids, including biomass-derived acids. The practicality of the rAP-Kolbe reaction enables facile implementation of large-scale reactions, realizing access to novel degradable polymers from biomass. Preliminary mechanistic studies implicate the role of waveform in modulating the local pH around electrodes, which in turn affects the underlying redox processes. The ease, efficiency, and chemoselectivity of the rAP-Kolbe reaction finally opens the door to the widespread mainstream adoption of this classic reaction. Chemoselectivity ; Electrosynthesis ; Nanotechnology ; Waveform ; Chemistry ; Combinatorial chemistry ; Redox ; Biochemical engineering ; Computer science ; Materials science ; Electrode ; Organic chemistry ; Catalysis ; Electrochemistry ; Telecommunications ; Engineering Radical Photochemical Reactions ; Catalytic Cross-Coupling Reactions ; Sulfur-Based Synthesis Techniques
Authors: Jissy . Mathew
Source: Journal of Advanced Scientific Research (article, 2022-12-31)
Field: Materials Science — Surfaces, Coatings and Films

FABRICATION OF NANO-STRUCTURED SURFACES BY FINE TUNING OF DEPOSITION PARAMETERS IN CHITOSAN/PSS POLYELECTROLYTE MULTILAYERS The fabrication of chitosan/polystyrene sulfonate (CHI)/(PSS) polyelectrolyte multilayer on different polymeric supports (polyether sulfone, polycarbonate and nylon), is discussed in the present work. The permeation of model protein BSA through these multilayer membranes was carried out under ultrafiltration conditions. Different multilayer systems were prepared by varying the parameters such as nature of the polymeric support, pH and molecular weight of polyelectrolyte. Build up of multilayers on polymeric support was monitored by measuring area under the sulfonate peak at 1033 cm-1 in the FTIR spectrum. No appreciable rejection of BSA was observed when CHI/PSS multilayers were fabricated on polycarbonate and nylon supports even after 15 bilayer coating. When multilayers were fabricated on polyether sulfone membranes, more than 90% rejection of BSA was observed with 5 bilayer coated membrane. This study reveals that pH and molecular weight of the polyelectrolyte has decisive role in the multilayer build up. Polyelectrolyte ; Polycarbonate ; Materials science ; Chitosan ; Membrane ; Polystyrene sulfonate ; Chemical engineering ; Bilayer ; Sulfonate ; Ultrafiltration (renal) ; Permeation ; Polymer chemistry ; Fabrication ; Polystyrene ; Polymer ; Coating ; Nanotechnology ; Composite material ; Chromatography ; Chemistry ; Sodium Polymer Surface Interaction Studies ; Dendrimers and Hyperbranched Polymers
Authors: Alberto Blázquez‐Moraleja | Larissa Maierhofer | Enrique Mann | Ruth Prieto‐Montero | Ainhoa Oliden‐Sánchez | Lucía Celada | Virginia Martínez‐Martínez | María‐Dolores Chiara | José Luis Chiara
Source: ChemRxiv (preprint, 2022-07-06)
Field: Materials Science — Materials Chemistry

Acetoxymethyl-BODIPY Dyes: A Universal Platform for the Fluorescence Labeling of Nucleophiles Current methods for the preparation of functional small-molecule fluorophores generally require labor-intensive, multi-step synthetic routes for all the major chromophore groups. In spite of recent significant contributions from numerous laboratories, the paucity of rapid, straightforward and wide-scope synthetic strategies in this field is limiting the development of advanced probes for bioimaging, sensing and therapeutic applications. We describe herein a general and robust methodology for the one-step fluorescent labeling of a wide variety of molecules having C-, N-, P-, O-, S-, or halide-nucleophilic centers, using stable and readily available acetoxymethyl-BODIPYs as reagents in the presence of an acid catalyst. This modular methodology allows a very facile preparation of mono- and di-functional probes incorporating a broad assortment of biomolecules, enzyme cofactors, natural products, and other chromophores, as well as chemical functionalities for a wide range of applications including bioorthogonal conjugation, polymerization, and supramolecular chemistry, among others. The photophysical properties and preliminary applications of the new probes in live-cell imaging were also studied. The described strategy could enable the high-throughput engineering of novel BODIPY dyes with diverse functionalities for basic and applied research with potential for innovative technological applications. Bioorthogonal chemistry ; BODIPY ; Biomolecule ; Nucleophile ; Combinatorial chemistry ; Chromophore ; Chemistry ; Nanotechnology ; Molecular engineering ; Fluorophore ; Fluorescence ; Computer science ; Click chemistry ; Materials science ; Organic chemistry ; Catalysis Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Click Chemistry and Applications
Authors: Alberto Blázquez‐Moraleja | Larissa Maierhofer | Enrique Mann | Ruth Priento-Montero | Ainhoa Oliden‐Sánchez | Lucía Celada | Virginia Martínez‐Martínez | María‐Dolores Chiara | José Luis Chiara
Source: ChemRxiv (preprint, 2022-07-04)
Field: Materials Science — Materials Chemistry

Acetoxymethyl-BODIPY Dyes: A Universal Platform for the Fluorescence Labeling of Nucleophiles Current methods for the preparation of functional small-molecule fluorophores generally require labor-intensive, multi-step synthetic routes for all the major chromophore groups. In spite of recent significant contributions from numerous laboratories, the paucity of rapid, straightforward and wide-scope synthetic strategies in this field is limiting the development of advanced probes for bioimaging, sensing and therapeutic applications. We describe herein a general and robust methodology for the one-step fluorescent labeling of a wide variety of molecules having C-, N-, P-, O-, S-, or halide-nucleophilic centers, using stable and readily available acetoxymethyl-BODIPYs as reagents in the presence of an acid catalyst. This modular methodology allows a very facile preparation of mono- and di-functional probes incorporating a broad assortment of biomolecules, enzyme cofactors, natural products, and other chromophores, as well as chemical functionalities for a wide range of applications including bioorthogonal conjugation, polymerization, and supramolecular chemistry, among others. The photophysical properties and preliminary applications of the new probes in live-cell imaging were also studied. The described strategy could enable the high-throughput engineering of novel BODIPY dyes with diverse functionalities for basic and applied research with potential for innovative technological applications. Bioorthogonal chemistry ; BODIPY ; Biomolecule ; Combinatorial chemistry ; Nucleophile ; Chemistry ; Chromophore ; Nanotechnology ; Molecular engineering ; Fluorescence ; Click chemistry ; Materials science ; Organic chemistry ; Catalysis Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Click Chemistry and Applications