jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tim P. Schlachta | Fritz E. Kühn
Source: Chemical Society Reviews (review, 2023-01-01)
Field: Chemistry — Organic Chemistry

Cyclic iron tetra N-heterocyclic carbenes: synthesis, properties, reactivity, and catalysis Cyclic iron tetracarbenes are an emerging class of macrocyclic iron N-heterocyclic carbene (NHC) complexes. They can be considered as an organometallic compound class inspired by their heme analogs, however, their electronic properties differ, <i>e.g.</i> due to the very strong σ-donation of the four combined NHCs in equatorial coordination. The ligand framework of iron tetracarbenes can be readily modified, allowing fine-tuning of the structural and electronic properties of the complexes. The properties of iron tetracarbene complexes are discussed quantitatively and correlations are established. The electronic nature of the tetracarbene ligand allows the isolation of uncommon iron(III) and iron(IV) species and reveals a unique reactivity. Iron tetracarbenes are successfully applied in C-H activation, CO<sub>2</sub> reduction, aziridination and epoxidation catalysis and mechanisms as well as decomposition pathways are described. This review will help researchers evaluate the structural and electronic properties of their complexes and target their catalyst properties through ligand design. Reactivity (psychology) ; Chemistry ; Ligand (biochemistry) ; Carbene ; Catalysis ; Combinatorial chemistry ; Decomposition ; Electronic structure ; Organometallic chemistry ; Organic chemistry ; Computational chemistry N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Carbon dioxide utilization in catalysis ; Cyclopropane Reaction Mechanisms
Authors: Sabyasachi Ghosh | Swarup Roy | Jishu Naskar | Ramen Kumar Kole
Source: Journal of Nanomaterials (article, 2023-05-02)
Field: Materials Science — Materials Chemistry

Plant-Mediated Synthesis of Mono- and Bimetallic (Au–Ag) Nanoparticles: Future Prospects for Food Quality and Safety The environmental, economic, and operational limits associated with the physical, chemical, and microbiological techniques for the production of nanoparticles (NPs) are the principal obstructions to their rapid commercial applications in various fields including food packaging and sensing to ensure food quality and safety. Over the years, many reports revealed that the nanotechnological (metal-based NPs) application facilitates an alternate, interactive, reliable, as well as simple technology in the food industries and packaging sector. In this review, we summarized the usage of plant extract for the biosynthesis of bimetallic (Au–Ag) and monometallic counterpart NPs. Further, the impact of reaction conditions and identification of reactive phytochemicals with the reaction mechanism of these nanoparticles was reviewed. The recent progress on the applications of Ag, Au, or Au–Ag NPs in food quality analysis and food packaging was comprehensively discussed. The safety aspect of the nanoparticles for food sector use was also briefly stated. Bimetallic strip ; Materials science ; Nanotechnology ; Food safety ; Food packaging ; Nanoparticle ; Food industry ; Food quality ; Biochemical engineering ; Food processing ; Risk analysis (engineering) ; Process engineering ; Business ; Metal ; Metallurgy ; Engineering ; Food science ; Chemistry Nanoparticles: synthesis and applications
Authors: Hu Yang | Lihui Zhang | Zhuang Wang | Rongrong Hu | Ben Zhong Tang
Source: Polymer Chemistry (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Economical synthesis of functional aromatic polythioamides from KOH-assisted multicomponent polymerizations of sulfur, aromatic diamines and dialdehydes A series of aromatic polythioamides with high gold extraction efficiency and high refractive index have been synthesized through the KOH-assisted multicomponent polymerization of elemental sulfur, aromatic diamines and aromatic dialdehydes. Sulfur ; Chemistry ; Organic chemistry ; Electrophilic aromatic substitution ; Polymer chemistry Synthesis and properties of polymers ; Phosphorus compounds and reactions ; Carbon dioxide utilization in catalysis
Authors: Fernando Vidal | Sevven Smith | Charlotte K. Williams
Source: Journal of the American Chemical Society (article, 2023-06-13)
Field: Chemistry — Organic Chemistry

Ring Opening Copolymerization of Boron-Containing Anhydride with Epoxides as a Controlled Platform to Functional Polyesters Boron-functionalized polymers are used in opto-electronics, biology, and medicine. Methods to produce boron-functionalized and degradable polyesters remain exceedingly rare but relevant where (bio)dissipation is required, for example, in self-assembled nanostructures, dynamic polymer networks, and bio-imaging. Here, a boronic ester-phthalic anhydride and various epoxides (cyclohexene oxide, vinyl-cyclohexene oxide, propene oxide, allyl glycidyl ether) undergo controlled ring-opening copolymerization (ROCOP), catalyzed by organometallic complexes [Zn(II)Mg(II) or Al(III)K(I)] or a phosphazene organobase. The polymerizations are well controlled allowing for the modulation of the polyester structures (e.g., by epoxide selection, AB, or ABA blocks), molar masses (9.4 < <i>M</i><sub>n</sub> < 40 kg/mol), and uptake of boron functionalities (esters, acids, "ates", boroxines, and fluorescent groups) in the polymer. The boronic ester-functionalized polymers are amorphous, with high glass transition temperatures (81 < <i>T</i><sub>g</sub> < 224 °C) and good thermal stability (285 < <i>T</i><sub>d</sub> < 322 °C). The boronic ester-polyesters are deprotected to yield boronic acid- and borate-polyesters; the ionic polymers are water soluble and degradable under alkaline conditions. Using a hydrophilic macro-initiator in alternating epoxide/anhydride ROCOP, and lactone ring opening polymerization, produces amphiphilic AB and ABC copolyesters. Alternatively, the boron-functionalities are subjected to Pd(II)-catalyzed cross-couplings to install fluorescent groups (BODIPY). The utility of this new monomer as a platform to construct specialized polyesters materials is exemplified here in the synthesis of fluorescent spherical nanoparticles that self-assemble in water (<i>D</i><sub>h</sub> = 40 nm). The selective copolymerization, variable structural composition, and adjustable boron loading represent a versatile technology for future explorations of degradable, well-defined, and functional polymers. Chemistry ; Cyclohexene oxide ; Polyester ; Polymer chemistry ; Polymerization ; Copolymer ; Polymer ; Epoxide ; Ring-opening polymerization ; Phthalic anhydride ; Glass transition ; Boron ; Organic chemistry ; Catalysis Organoboron and organosilicon chemistry ; Carbon dioxide utilization in catalysis ; biodegradable polymer synthesis and properties
Authors: Min Jeong Kim | Do Hyeon Jung | Chae Yeon Lee | Seungpyo Hong | Jun Hyuk Heo | Jung Heon Lee
Source: Small Structures (article, 2023-04-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structurally Engineered Silica Shells on Gold Nanorods for Biomedical Applications Owing to their unique optical and chemical properties, gold nanorods (AuNRs) are among the most frequently used nanomaterials for biomedical applications, including cancer therapy, imaging, and drug delivery. In particular, the longitudinal dipole plasmon wavelength of AuNRs can be verified from the visible to the near‐infrared (NIR) region, allowing AuNRs to be used as photodynamic/photothermal and imaging contrast agents. At the same time, the silica shell is important as it enhances stability and facilitates the functionalization and biocompatibility of AuNRs, offering numerous advantages in biomedical applications. In this review, silica‐coated AuNRs from a bioapplication perspective are focused. First, the importance of AuNRs for biomedical applications is explained and the purpose of silica coating on AuNRs is discussed. Then, recent studies on the development of silica‐coated AuNRs from a biomedical perspective are reviewed. Subsequently, various strategies for engineering silica coatings and their properties in the biomedical field are reviewed. This review is expected to promote further research on next‐generation silica‐coated AuNRs for biomedical applications. Nanorod ; Nanotechnology ; Photothermal therapy ; Materials science ; Biocompatibility ; Nanomaterials ; Surface modification ; Drug delivery ; Coating ; Photothermal effect ; Chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticle-Based Drug Delivery ; Nanocluster Synthesis and Applications
Authors: Kyriaki Koupepidou | Varvara I. Nikolayenko | Debobroto Sensharma | Andrey A. Bezrukov | Matthias Vandichel | Sousa Javan Nikkhah | Dominic C. Castell | Kolade A. Oyekan | Naveen Kumar | Aizhamal Subanbekova | William G. Vandenberghe | Kui Tan | Leonard J. Barbour | Michael J. Zaworotko
Source: Journal of the American Chemical Society (article, 2023-04-26)
Field: Chemistry — Inorganic Chemistry

One Atom Can Make All the Difference: Gas-Induced Phase Transformations in Bisimidazole-Linked Diamondoid Coordination Networks Coordination networks (CNs) that undergo gas-induced transformation from closed (nonporous) to open (porous) structures are of potential utility in gas storage applications, but their development is hindered by limited control over their switching mechanisms and pressures. In this work, we report two CNs, [Co(bimpy)(bdc)]<sub><i>n</i></sub> (<b>X-dia-4-Co</b>) and [Co(bimbz)(bdc)]<sub><i>n</i></sub> (<b>X-dia-5-Co</b>) (H<sub>2</sub>bdc = 1,4-benzendicarboxylic acid; bimpy = 2,5-bis(1H-imidazole-1-yl)pyridine; bimbz = 1,4-bis(1H-imidazole-1-yl)benzene), that both undergo transformation from closed to isostructural open phases involving at least a 27% increase in cell volume. Although <b>X-dia-4-Co</b> and <b>X-dia-5-Co</b> only differ from one another by one atom in their <i>N</i>-donor linkers (bimpy = pyridine, and bimbz = benzene), this results in different pore chemistry and switching mechanisms. Specifically, <b>X-dia-4-Co</b> exhibited a gradual phase transformation with a steady increase in the uptake when exposed to CO<sub>2</sub>, whereas <b>X-dia-5-Co</b> exhibited a sharp step (type F-IV isotherm) at <i>P</i>/<i>P</i><sub>0</sub> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mo>≈</mml:mo></mml:math> 0.008 or <i>P</i> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mo>≈</mml:mo></mml:math> 3 bar (195 or 298 K, respectively). Single-crystal X-ray diffraction, <i>in situ</i> powder XRD, <i>in situ</i> IR, and modeling (density functional theory calculations, and canonical Monte Carlo simulations) studies provide insights into the nature of the switching mechanisms and enable attribution of pronounced differences in sorption properties to the changed pore chemistry. Chemistry ; Imidazole ; Diamondoid ; Isostructural ; Benzene ; Crystallography ; Pyridine ; Bar (unit) ; Crystal structure ; Stereochemistry ; Molecule ; Medicinal chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Enhanced Oil Recovery Techniques
Authors: Jiaqi Liu | Kang Zhou | Saif Ullah | Jiafeng Miao | Hao Wang | Timo Thonhauser | Jing Li
Source: Small (article, 2023-06-19)
Field: Chemistry — Inorganic Chemistry

Precise Pore Engineering of fcu‐Type Y‐MOFs for One‐Step C<sub>2</sub>H<sub>4</sub> Purification from Ternary C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>2</sub> Mixtures The purification of C<sub>2</sub> H<sub>4</sub> from C<sub>2</sub> H<sub>6</sub> /C<sub>2</sub> H<sub>4</sub> /C<sub>2</sub> H<sub>2</sub> mixtures is of great significance in the chemical industry for C<sub>2</sub> H<sub>4</sub> production but remains a daunting task. Guided by powerful reticular chemistry principles, herein a systematic study is carried out to engineer pore dimensions and pore functionality of fcu-type Y-based metal-organic frameworks (Y-MOFs) through the construction of a series of eight new structures using linear dicarboxylate linkers with different length and functional groups. This study illustrates how delicate changes in pore size and pore surface chemistry can effectively influence the adsorption preference of C<sub>2</sub> H<sub>6</sub> , C<sub>2</sub> H<sub>4</sub> , and C<sub>2</sub> H<sub>2</sub> by the MOFs. Importantly, clear relations between pore size/pore surface polarity and C<sub>2</sub> adsorption selectivities of this series of MOFs are established. In particular, HIAM-326 built on a linker decorated with trifluoromethoxy group shows notably preferential adsorption of C<sub>2</sub> H<sub>6</sub> and C<sub>2</sub> H<sub>2</sub> over C<sub>2</sub> H<sub>4</sub> , with balanced C<sub>2</sub> H<sub>2</sub> /C<sub>2</sub> H<sub>4</sub> and C<sub>2</sub> H<sub>6</sub> /C<sub>2</sub> H<sub>4</sub> selectivities. This endows the compound with the capability of one-step purification of C<sub>2</sub> H<sub>4</sub> from C<sub>2</sub> H<sub>6</sub> /C<sub>2</sub> H<sub>4</sub> /C<sub>2</sub> H<sub>2</sub> ternary mixtures, which is validated by breakthrough measurements where high purity C<sub>2</sub> H<sub>4</sub> (99.9%+) can be obtained directly from the separation column. Its adsorption thermodynamics and underlying selective adsorption mechanisms are further revealed by ab initio calculations. Adsorption ; Ternary operation ; Ab initio ; Chemistry ; Chemical engineering ; Materials science ; Nanotechnology ; Physical chemistry ; Organic chemistry ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; MXene and MAX Phase Materials
Authors: Elisa Sturabotti | Alessandro Camilli | Vyali Georgian Moldoveanu | Graziana Bonincontro | Giovanna Simonetti | Alessio Valletta | Ilaria Serangeli | Elena Miranda | Francesco Amato | Andrea Giacomo Marrani | Luisa Maria Migneco | Simona Sennato | Beatrice Simonis | Fabrizio Vetica | Francesca Leonelli
Source: Chemistry - A European Journal (article, 2023-12-07)
Field: Materials Science — Materials Chemistry

Targeting the Antifungal Activity of Carbon Dots against <i>Candida albicans</i> Biofilm Formation by Tailoring Their Surface Functional Groups Carbon dots (CDs) are an emerging class of carbon nanoparticles, which for their characteristics have found applications in many fields such as catalysis, materials and biomedicine. Within this context, the application of CDs as antibacterial agents has received much attention in very recent years, while their use as antifungal nanoparticles has been scarcely investigated. Here we report a systematic investigation of the surface functional groups of CDs to study their influence on these nanoparticles' against Candida albicans. Three classes of CDs have been synthesised and fully characterized. A thorough in vitro and in vivo biological screening against C. albicans was performed to test their antifungal, antiadhesion and antibiofilm formation activities. Moreover, the interaction with C. albicans cells was investigated by microscopic analysis. Our results evidence how the presence of a positively polarised surface results crucial for the internalization into COS-7 cells. Positively charged nanoparticles were also able to inhibit adhesion and biofilm formation, to interact with the cellular membrane of C. albicans, and to increase the survival of G. mellonella infected larvae after the injection with positive nanoparticles. The antifungal activity of CDs and their extremely low toxicity may represent a new strategy to combat infections sustained by C.albicans. Candida albicans ; Biofilm ; Corpus albicans ; Context (archaeology) ; Internalization ; Microbiology ; Antifungal ; In vivo ; Adhesion ; Nanoparticle ; Chemistry ; In vitro ; Silver nanoparticle ; Nanotechnology ; Materials science ; Biology ; Bacteria ; Biochemistry ; Organic chemistry Carbon and Quantum Dots Applications ; Quantum Dots Synthesis And Properties ; Nanocluster Synthesis and Applications
Authors: Changjian Zhou | Jiahao Zhang | Yuqing Fu | Hui Dai
Source: Molecules (review, 2023-11-18)
Field: Materials Science — Materials Chemistry

Recent Advances in the Reverse Water–Gas Conversion Reaction The increase in carbon dioxide emissions has significantly impacted human society and the global environment. As carbon dioxide is the most abundant and cheap C1 resource, the conversion and utilization of carbon dioxide have received extensive attention from researchers. Among the many carbon dioxide conversion and utilization methods, the reverse water-gas conversion (RWGS) reaction is considered one of the most effective. This review discusses the research progress made in RWGS with various heterogeneous metal catalyst types, covering topics such as catalyst performance, thermodynamic analysis, kinetics and reaction mechanisms, and catalyst design and preparation, and suggests future research on RWGS heterogeneous catalysts. Carbon dioxide ; Water-gas shift reaction ; Catalysis ; Environmental science ; Chemical engineering ; Carbon dioxide reforming ; Resource (disambiguation) ; Heterogeneous catalysis ; Nanotechnology ; Process engineering ; Waste management ; Chemistry ; Materials science ; Syngas ; Computer science ; Engineering ; Organic chemistry Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Carbon dioxide utilization in catalysis
Authors: Anyi Jin | Luís J. del Valle | Jordi Puiggalı́
Source: International Journal of Molecular Sciences (article, 2023-12-08)
Field: Materials Science — Biomaterials

Copolymers and Blends Based on 3-Hydroxybutyrate and 3-Hydroxyvalerate Units This review presents a comprehensive update of the biopolymer poly(3-hydroxybutyrate-<i>co</i>-3-hydroxyvalerate) (PHBV), emphasizing its production, properties, and applications. The overall biosynthesis pathway of PHBV is explored in detail, highlighting recent advances in production techniques. The inherent physicochemical properties of PHBV, along with its degradation behavior, are discussed in detail. This review also explores various blends and composites of PHBV, demonstrating their potential for a range of applications. Finally, the versatility of PHBV-based materials in multiple sectors is examined, emphasizing their increasing importance in the field of biodegradable polymers. Biopolymer ; Polyhydroxyalkanoates ; Materials science ; Copolymer ; Degradation (telecommunications) ; Polymer ; Polymer science ; Chemical engineering ; Composite material ; Computer science ; Engineering ; Biology biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Microplastics and Plastic Pollution
Authors: Rita Gelli | Francesca Ridi
Source: Journal of Functional Biomaterials (review, 2023-08-14)
Field: Materials Science — Materials Chemistry

An Overview of Magnesium-Phosphate-Based Cements as Bone Repair Materials In the search for effective biomaterials for bone repair, magnesium phosphate cements (MPCs) are nowadays gaining importance as bone void fillers thanks to their many attractive features that overcome some of the limitations of the well-investigated calcium-phosphate-based cements. The goal of this review was to highlight the main properties and applications of MPCs in the orthopedic field, focusing on the different types of formulations that have been described in the literature, their main features, and the in vivo and in vitro response towards them. The presented results will be useful to showcase the potential of MPCs in the orthopedic field and will suggest novel strategies to further boost their clinical application. Materials science ; Magnesium ; Phosphate ; Magnesium phosphate ; Calcium ; Nanotechnology ; Construction engineering ; Biomedical engineering ; Metallurgy ; Engineering ; Chemistry Magnesium Oxide Properties and Applications ; Bone Tissue Engineering Materials ; Layered Double Hydroxides Synthesis and Applications
Authors: Binapani Mahaling | Shermaine W. Y. Low | Sanjay Ch | Utkarsh Reddy Addi | Baseer Ahmad | Thomas B. Connor | Rajiv R. Mohan | Swati Biswas | Shyam S. Chaurasia
Source: Pharmaceutics (review, 2023-07-22)
Field: Materials Science — Materials Chemistry

Next-Generation Nanomedicine Approaches for the Management of Retinal Diseases Retinal diseases are one of the leading causes of blindness globally. The mainstay treatments for these blinding diseases are laser photocoagulation, vitrectomy, and repeated intravitreal injections of anti-vascular endothelial growth factor (VEGF) or steroids. Unfortunately, these therapies are associated with ocular complications like inflammation, elevated intraocular pressure, retinal detachment, endophthalmitis, and vitreous hemorrhage. Recent advances in nanomedicine seek to curtail these limitations, overcoming ocular barriers by developing non-invasive or minimally invasive delivery modalities. These modalities include delivering therapeutics to specific cellular targets in the retina, providing sustained delivery of drugs to avoid repeated intravitreal injections, and acting as a scaffold for neural tissue regeneration. These next-generation nanomedicine approaches could potentially revolutionize the treatment landscape of retinal diseases. This review describes the availability and limitations of current treatment strategies and highlights insights into the advancement of future approaches using next-generation nanomedicines to manage retinal diseases. Medicine ; Nanomedicine ; Blindness ; Modalities ; Endophthalmitis ; Therapeutic modalities ; Retinal ; Blinding ; Retinal detachment ; Ophthalmology ; Optometry ; Clinical trial ; Pathology ; Nanotechnology Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Retinal and Optic Conditions
Authors: Wiktor Bednarczyk | Maria Wątroba | Manish Jain | Krzysztof Mech | Piotr Bazarnik | Piotr Bała | Johann Michler | Krzysztof Wieczerzak
Source: Materials & Design (article, 2023-04-07)
Field: Materials Science — Materials Chemistry

Determination of critical resolved shear stresses associated with &lt;a&gt; slips in pure Zn and Zn-Ag alloys via micro-pillar compression The room-temperature plastic deformation behavior of pure Zn and Zn-Ag (0–2.2 at.%) biodegradable alloys has been investigated via uniaxial in situ micro-pillar compression tests performed within a scanning electron microscope. The critical resolved shear stresses (CRSS) were quantified as a function of micro-pillar diameter. The compression of single crystal micro-pillars was performed at various strain rates in carefully selected grains, the crystallographic orientation of which facilitates deformation either via basal 0001〈112¯0〉 or prismatic 101¯0〈112¯0〉 slip. The CRSS values increased with decreased micro-pillar diameter, revealing a more pronounced size effect in pure Zn deformed via basal slip. The observed solid solution strengthening effect in Zn-Ag alloys with increasing Ag content was associated with a CRSS increase from 26.6 MPa to 37.0 MPa (by ∼ 40 %) in the basal slip system and from 99.1 MPa to 188.4 MPa (by ∼ 104 %) in the prismatic slip system. The extraordinarily high CRSS values for basal slip activated in pure Zn and Zn-0.14Ag alloy compared to the solid solution strengthening model was attributed to the critically low dislocation density. In the Zn-Ag alloy with Ag content > 0.5 at.% higher dislocation densities are expected, which result in a more predictable plastic deformation behavior. Materials science ; Slip (aerodynamics) ; Alloy ; Scanning electron microscope ; Critical resolved shear stress ; Dislocation ; Shear (geology) ; Composite material ; Metallurgy ; Crystallography ; Shear rate ; Thermodynamics Microstructure and mechanical properties ; Magnesium Alloys: Properties and Applications ; Corrosion Behavior and Inhibition