jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ying Zhao | Yu Zhou | Yajuan Song | Liumeizi Fan | Ting Lei | Yinbin He | Sheng Hu
Source: International Journal of Medical Sciences (article, 2023-11-15)
Field: Chemistry — Spectroscopy

The Regulatory Network of CREB3L1 and Its Roles in Physiological and Pathological Conditions CREB3 subfamily belongs to the bZIP transcription factor family and comprises five members. Normally they are located on the endoplasmic reticulum (ER) membranes and proteolytically activated through RIP (regulated intramembrane proteolysis) on Golgi apparatus to liberate the N-terminus to serve as transcription factors. CREB3L1 acting as one of them transcriptionally regulates the expressions of target genes and exhibits distinct functions from the other members of CREB3 family in eukaryotes. Physiologically, CREB3L1 involves in the regulation of bone morphogenesis, neurogenesis, neuroendocrine, secretory cell differentiation, and angiogenesis. Pathologically, CREB3L1 implicates in the modulation of osteogenesis imperfecta, low grade fibro myxoid sarcoma (LGFMS), sclerosing epithelioid fibrosarcoma (SEF), glioma, breast cancer, thyroid cancer, and tissue fibrosis. This review summarizes the upstream and downstream regulatory network of CREB3L1 and thoroughly presents our current understanding of CREB3L1 research progress in both physiological and pathological conditions with special focus on the novel findings of CREB3L1 in cancers. Biology ; Transcription factor ; Endoplasmic reticulum ; Cancer research ; Cell biology ; Gene ; Genetics Advanced Proteomics Techniques and Applications ; Biotin and Related Studies ; Glycosylation and Glycoproteins Research
Authors: Krishna Kaushik | Sakshi Mehta | Mayurika Das | Sounak Ghosh | Sujit Kamilya | Abhishake Mondal
Source: Chemical Communications (review, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Stimuli-responsive magnetic materials: impact of spin and electronic modulation Addressing molecular bistability as a function of external stimuli, especially in spin-crossover (SCO) and metal-to-metal electron transfer (MMET) systems, has seen a surge of interest in the field of molecule-based magnetic materials due to their enormous potential in various technological applications such as molecular spintronics, memory and electronic devices, switches, sensors, and many more. The fine-tuning of molecular components allow the design and synthesis of materials with tailored properties for these vast applications. In this Feature Article, we discuss a part of our research work into this broad topic, pertaining to the recent discoveries in the field of switchable molecular magnetic materials based on SCO and MMET systems, along with some historical background of the area and related accomplishments made in recent years. Spintronics ; Modulation (music) ; Materials science ; Nanotechnology ; Spin (aerodynamics) ; Optoelectronics ; Condensed matter physics ; Ferromagnetism ; Physics Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Porphyrin and Phthalocyanine Chemistry
Authors: Fabio Manna | Mariangela Oggianu | Narcis Avarvari | Maria Laura Mercuri
Source: Magnetochemistry (article, 2023-07-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Lanthanide-Based Metal–Organic Frameworks with Single-Molecule Magnet Properties Lanthanide metal–organic frameworks (Ln-MOFs) showing single-molecule magnet (SMM) properties are an ever-growing family of materials where the magnetic properties can be tuned by various interrelated parameters, such as the coordinated solvent, temperature, organic linkers, lanthanide ions and their coordination environment. An overview of the general synthetic methodologies to access MOFs/Ln-MOFs and the peculiarities and parameters to control and/or fine-tune their SMM behavior is herein presented. Additionally, diverse challenging strategies for inducing SMM/SIM behavior in an Ln-MOF are discussed, involving redox activity and chirality. Furthermore, intriguing physical phenomena such as the CISS effect and CPL are also highlighted. Lanthanide ; Metal-organic framework ; Magnet ; Chirality (physics) ; Molecule ; Single-molecule magnet ; Materials science ; Organic molecules ; Metal ; Nanotechnology ; Chemical physics ; Redox ; Ion ; Chemistry ; Physical chemistry ; Organic chemistry ; Physics ; Magnetic field ; Magnetization ; Adsorption ; Nuclear physics Magnetism in coordination complexes ; Metal-Organic Frameworks: Synthesis and Applications ; Lanthanide and Transition Metal Complexes
Authors: Ankita Ankita | Surjeet Chahal | Saurabh Singh | Suman | Kanishka De Silva | Ashok Kumar | Sandeep Kumar | Lalit Kumar | Masamichi Yoshimura | Ravi Kumar | Parmod Kumar
Source: Vacuum (article, 2023-06-10)
Field: Materials Science — Materials Chemistry

Morphology mediated photocatalysis and room temperature ferromagnetism in cerium oxide Photocatalysis ; Materials science ; X-ray photoelectron spectroscopy ; Raman spectroscopy ; Ferromagnetism ; High-resolution transmission electron microscopy ; Cerium ; Transmission electron microscopy ; Oxide ; Cerium oxide ; Chemical engineering ; Spintronics ; Nanotechnology ; Analytical Chemistry (journal) ; Chemistry ; Optics ; Metallurgy ; Catalysis ; Organic chemistry ZnO doping and properties ; Catalytic Processes in Materials Science ; Advanced Photocatalysis Techniques
Authors: Yonglong Li | Guobo Li | Yu Zou | Wenming Liu | Hongxiang Zhang | Shengyong Lu | Zhenguo Li | Shule Zhang | Honggen Peng
Source: Applied Catalysis B: Environmental (article, 2023-12-18)
Field: Materials Science — Materials Chemistry

Unveiling the remarkable deNOx performance of MnMoVOx catalysts via dual regulation of the redox and acid sites Catalysis ; Redox ; Selectivity ; Chemistry ; Adsorption ; NOx ; Selective catalytic reduction ; Inorganic chemistry ; Chemical engineering ; Combinatorial chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Ammonia Synthesis and Nitrogen Reduction ; Advanced Photocatalysis Techniques
Authors: Kun Liu | Wenhao Zheng | Silvio Osella | Zhen‐Lin Qiu | Steffen Böckmann | Wenhui Niu | Laura Meingast | Hartmut Komber | Sebastian Obermann | Roland Gillen | Mischa Bonn | Michael Ryan Hansen | Janina Maultzsch | Hai I. Wang | Ji Ma | Xinliang Feng
Source: Journal of the American Chemical Society (article, 2023-12-20)
Field: Materials Science — Materials Chemistry

Cove-Edged Chiral Graphene Nanoribbons with Chirality-Dependent Bandgap and Carrier Mobility Graphene nanoribbons (GNRs) have garnered significant interest due to their highly customizable physicochemical properties and potential utility in nanoelectronics. Besides controlling widths and edge structures, the inclusion of chirality in GNRs brings another dimension for fine-tuning their optoelectronic properties, but related studies remain elusive owing to the absence of feasible synthetic strategies. Here, we demonstrate a novel class of cove-edged chiral GNRs (<b>CcGNRs</b>) with a tunable chiral vector (<i><b>n</b></i>,<i><b>m</b></i>). Notably, the bandgap and effective mass of <b>(</b><i><b>n</b></i><b>,2)-CcGNR</b> show a distinct positive correlation with the increasing value of <i><b>n</b></i>, as indicated by theory. Within this GNR family, two representative members, namely, <b>(4,2)-CcGNR</b> and <b>(6,2)-CcGNR</b>, are successfully synthesized. Both <b>CcGNRs</b> exhibit prominently curved geometries arising from the incorporated [4]helicene motifs along their peripheries, as also evidenced by the single-crystal structures of the two respective model compounds (<b>1</b> and <b>2</b>). The chemical identities and optoelectronic properties of <b>(4,2)-</b> and <b>(6,2)-CcGNRs</b> are comprehensively investigated via a combination of IR, Raman, solid-state NMR, UV-vis, and THz spectroscopies as well as theoretical calculations. In line with theoretical expectation, the obtained <b>(6,2)-CcGNR</b> possesses a low optical bandgap of 1.37 eV along with charge carrier mobility of ∼8 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>, whereas <b>(4,2)-CcGNR</b> exhibits a narrower bandgap of 1.26 eV with increased mobility of ∼14 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>. This work opens up a new avenue to precisely engineer the bandgap and carrier mobility of GNRs by manipulating their chiral vector. Chemistry ; Chirality (physics) ; Graphene ; Graphene nanoribbons ; Nanotechnology ; Cove ; Band gap ; Condensed matter physics ; Quantum mechanics ; Physics Graphene research and applications ; Surface Chemistry and Catalysis ; Synthesis and Properties of Aromatic Compounds
Authors: Labeeb Ali | Kaushik Sivaramakrishnan | Mohamed Shafi Kuttiyathil | Vignesh Chandrasekaran | Oday H. Ahmed | Mohammad Al-Harahsheh | Mohammednoor Altarawneh
Source: RSC Advances (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Degradation of tetrabromobisphenol A (TBBA) with calcium hydroxide: a thermo-kinetic analysis Thermal treatment of bromine-contaminated polymers (<i>i.e.</i>, as in e-waste) with metal oxides is currently deployed as a mainstream strategy in recycling and resources recovery from these objects. The underlying aim is to capture the bromine content and to produce pure bromine-free hydrocarbons. Bromine originates from the added brominated flame retardants (BFRs) to the polymeric fractions in printed circuits boards, where tetrabromobisphenol A (TBBA) is the most utilized BFR. Among notable deployed metal oxides is calcium hydroxide, <i>i.e.</i>, Ca(OH)<sub>2</sub> that often displays high debromination capacity. Comprehending thermo-kinetic parameters that account for the BFRs:Ca(OH)<sub>2</sub> interaction is instrumental to optimize the operation at an industrial scale. Herein, we report comprehensive kinetics and thermodynamics studies into the pyrolytic and oxidative decomposition of a TBBA:Ca(OH)<sub>2</sub> mixture at four different heating rates, 5, 10, 15, and 20 °C min<sup>-1</sup>, carried out using a thermogravimetric analyser. Fourier Transform Infrared Spectroscopy (FTIR) and a carbon, hydrogen, nitrogen, and sulphur (CHNS) elemental analyser established the vibrations of the molecules and carbon content of the sample. From the thermogravimetric analyser (TGA) data, the kinetic and thermodynamic parameters were evaluated using iso-conversional methods (KAS, FWO, and Starink), which were further validated by the Coats-Redfern method. The computed activation energies for the pyrolytic decomposition of pure TBBA and its mixture with Ca(OH)<sub>2</sub> reside in the narrow ranges of 111.7-112.1 kJ mol<sup>-1</sup> and 62.8-63.4 kJ mol<sup>-1</sup>, respectively (considering the various models). Obtained negative Δ<i>S</i> values suggest the formation of stable products. The synergic effects of the blend exhibited positive values in the low-temperature ranges (200-300 °C) due to the emission of HBr from TBBA and the solid-liquid bromination process occurring between TBBA and Ca(OH)<sub>2</sub>. From a practical point of view, data provided herein are useful in efforts that aim to fine-tune operational conditions encountered in real recycling scenarios, <i>i.e.</i>, in co-pyrolysis of e-waste with Ca(OH)<sub>2</sub> in rotary kilns. Thermogravimetric analysis ; Tetrabromobisphenol A ; Bromine ; Pyrolysis ; Chemistry ; Pyrolytic carbon ; Decomposition ; Thermal decomposition ; Tetramethylammonium hydroxide ; Inorganic chemistry ; Organic chemistry ; Fire retardant Thermal and Kinetic Analysis ; Recycling and Waste Management Techniques ; Energetic Materials and Combustion
Authors: Ruoyang Liu | Chi‐Chiu Ko
Source: Biosensors (review, 2023-02-19)
Field: Chemistry — Analytical Chemistry

Molecularly Imprinted Polymer-Based Luminescent Chemosensors Molecularly imprinted polymer (MIP)-based luminescent chemosensors combine the advantages of the highly specific molecular recognition of the imprinting sites and the high sensitivity with the luminescence detection. These advantages have drawn great attention during the past two decades. Luminescent molecularly imprinted polymers (luminescent MIPs) towards different targeted analytes are constructed with different strategies, such as the incorporation of luminescent functional monomers, physical entrapment, covalent attachment of luminescent signaling elements on the MIPs, and surface-imprinting polymerization on the luminescent nanomaterials. In this review, we will discuss the design strategies and sensing approaches of luminescent MIP-based chemosensors, as well as their selected applications in biosensing, bioimaging, food safety, and clinical diagnosis. The limitations and prospects for the future development of MIP-based luminescent chemosensors will also be discussed. Molecularly imprinted polymer ; Luminescence ; Molecular imprinting ; Nanotechnology ; Nanomaterials ; Polymer ; Materials science ; Analyte ; Luminescent Measurements ; Biosensor ; Chemistry ; Selectivity ; Organic chemistry ; Chromatography ; Optoelectronics Analytical chemistry methods development ; Advanced Chemical Sensor Technologies ; Molecular Sensors and Ion Detection
Authors: Amitosh Sharma | Seonghwan Lee | Jaewoong Lim | Myoung Soo Lah
Source: Bulletin of the Korean Chemical Society (article, 2023-11-13)
Field: Chemistry — Inorganic Chemistry

Post‐synthetic modifications in <scp>metal–organic frameworks</scp> for high proton conductivity Abstract A myriad of metal ions and organic linkers can be used to produce metal–organic frameworks (MOFs) with varied functionalities, porosities, and dimensionalities. Such diversity has garnered significant research interest, particularly in leveraging MOFs as proton conductors for fuel cells. One effective approach involves introducing guest molecules into MOF pores. These molecules serve either as proton carriers or as proton‐conducting media through potential hydrogen bonding networks. This review offers an organized overview of key methodologies historically employed to achieve superprotonic conductivity in MOFs. The article systematically categorizes these tactics into three primary groups: guest molecule encapsulation, modulation at metal‐coordination sites, and ligand functionalization. We succinctly discuss the roles of proton carriers, conducting media, and the overall MOF framework, emphasizing the significance of each strategy's application. In conclusion, we provide insights into the future development of MOFs as proton conductors, rooted in the categorization and conceptual understanding of these strategies. Metal-organic framework ; Nanotechnology ; Molecule ; Conductivity ; Proton ; Hydrogen bond ; Organic molecules ; Metal ; Materials science ; Chemistry ; Combinatorial chemistry ; Adsorption ; Organic chemistry ; Physical chemistry ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Fuel Cells and Related Materials ; Organic and Molecular Conductors Research
Authors: Weibin Liang | Xuelong Wang | Wenjie Yang | Shufang Zhao | Dianne E. Wiley | Brian S. Haynes | Yijiao Jiang | Ping Liu | Jun Huang
Source: ACS Central Science (article, 2023-01-04)
Field: Chemistry — Inorganic Chemistry

Tailoring and Identifying Brønsted Acid Sites on Metal Oxo-Clusters of Metal–Organic Frameworks for Catalytic Transformation Metal-organic frameworks (MOFs) with Brønsted acidity are an alternative solid acid catalyst for many important chemical and fuel processes. However, the nature of the Brønsted acidity on the MOF's metal cluster or center is underexplored. To design and optimize the acid strength and density in these MOFs, it is important to understand the origin of their acidity at the molecular level. In the present work, isoreticular MOFs, ZrNDI and HfNDI (NDI = <i>N</i>,<i>N</i>'-bis(5-isophthalate)naphthalenediimide), were prepared as a prototypical system to unravel and compare their Brønsted and Lewis acid sites through an array of spectroscopic, computational, and catalytic characterization techniques. With the aid of solid-state nuclear magnetic resonance and density functional calculations, Hf<sub>6</sub> oxo-clusters on HfNDI are quantitatively proved to possess a higher density Brønsted acid site, while ZrNDI-based MOFs display stronger and higher-population Lewis acidity. HfNDI-based MOFs exhibit a superior catalytic performance in activating dihydroxyacetone (DHA) and converting DHA to ethyl lactate, with 71.1% selectivity at 54.7% conversion after 6 h. The turnover frequency of BAS-dominated Hf-MOF in DHA conversion is over 50 times higher than that of ZSM-5, a strong BAS-based zeolite. It is worth noting that HfNDI is reported for the first time in the literature, which is an alternative platform catalyst for biorefining and green chemistry. The present study furthermore highlights the uniqueness of Hf-based MOFs in this important biomass-to-chemical transformation. Brønsted–Lowry acid–base theory ; Catalysis ; Lewis acids and bases ; Metal-organic framework ; Chemistry ; Zeolite ; Acid strength ; Selectivity ; Density functional theory ; Population ; Ethyl lactate ; Metal ; Combinatorial chemistry ; Organic chemistry ; Computational chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Zeolite Catalysis and Synthesis ; Polyoxometalates: Synthesis and Applications
Authors: Karolina A. Tarach | Mariame Akouche | Kamila Pyra | Valentin Valtchev | Gabriela Jajko | Jean‐Pierre Gilson | Kinga Góra‐Marek
Source: Applied Catalysis B: Environmental (article, 2023-05-09)
Field: Chemistry — Inorganic Chemistry

Polypropylene cracking on embryonic and ZSM-5 catalysts – An operando study A series of ZSM-5 zeolites (embryonic, microporous, hierarchical) is studied in the catalytic cracking of polypropylene in the framework of its chemical recycling. Two important zeolite features impact their catalytic performances and allow their design as efficient catalysts: porosity and acidity. They also play a key role in catalyst deactivation and regeneration. A detailed thermogravimetric and spectroscopic (operando FT-IR) analysis of the reaction, including catalyst coking and regeneration, shows the emergence of rules to design fit-for-purpose catalysts to be used in existing or grass-roots FCC units. Catalysis ; Microporous material ; Cracking ; Thermogravimetric analysis ; Zeolite ; Fluid catalytic cracking ; ZSM-5 ; Polypropylene ; Chemical engineering ; Materials science ; Porosity ; Chemistry ; Organic chemistry ; Composite material ; Engineering Zeolite Catalysis and Synthesis ; Catalysis for Biomass Conversion ; Catalysis and Hydrodesulfurization Studies
Authors: Prabhat Kattel | Shoukath Sulthana | Jiří Trousil | Dinesh Shrestha | David Pearson | Santosh Aryal
Source: ACS Omega (article, 2023-07-19)
Field: Materials Science — Biomaterials

Effect of Nanoparticle Weight on the Cellular Uptake and Drug Delivery Potential of PLGA Nanoparticles Biodegradable and biocompatible polymeric nanoparticles (NPs) stand out as a key tool for improving drug bioavailability, reducing the inherent toxicity, and targeting the intended site. Most importantly, the ease of polymer synthesis and its derivatization to add functional properties makes them potentially ideal to fulfill the requirements for intended therapeutic applications. Among many polymers, US FDA-approved poly(l-lactic-<i>co</i>-glycolic) acid (PLGA) is a widely used biocompatible and biodegradable co-polymer in drug delivery and in implantable biomaterials. While many studies have been conducted using PLGA NPs as a drug delivery system, less attention has been given to understanding the effect of NP weight on cellular behaviors such as uptake. Here we discuss the synthesis of PLGA NPs with varying NP weights and their colloidal and biological properties. Following nanoprecipitation, we have synthesized PLGA NP sizes ranging from 60 to 100 nm by varying the initial PLGA feed in the system. These NPs were found to be stable for a prolonged period in colloidal conditions. We further studied cellular uptake and found that these NPs are cytocompatible; however, they are differentially uptaken by cancer and immune cells, which are greatly influenced by NPs' weight. The drug delivery potential of these nanoparticles (NPs) was assessed using doxorubicin (DOX) as a model drug, loaded into the NP core at a concentration of 7.0 ± 0.5 wt % to study its therapeutic effects. The results showed that both concentration and treatment time are crucial factors for exhibiting therapeutic effects, as observed with DOX-NPs exhibiting a higher potency at lower concentrations. The observations revealed that DOX-NPs exhibited a higher cellular uptake of DOX compared to the free-DOX treatment group. This will allow us to reduce the recommended dose to achieve the desired effect, which otherwise required a large dose when treated with free DOX. Considering the significance of PLGA-based nanoparticle drug delivery systems, we anticipate that this study will contribute to the establishment of design considerations and guidelines for the therapeutic applications of nanoparticles. PLGA ; Nanoparticle ; Drug delivery ; Bioavailability ; Doxorubicin ; Nanotechnology ; Glycolic acid ; Chemistry ; Drug ; Biocompatible material ; Drug carrier ; Biodegradable polymer ; Polymer ; Targeted drug delivery ; Materials science ; Pharmacology ; Lactic acid ; Biomedical engineering ; Organic chemistry ; Medicine ; Chemotherapy ; Surgery Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Advanced Drug Delivery Systems
Authors: Miguel Á. Bañares | Marco Daturi
Source: Catalysis Today (article, 2023-06-16)
Field: Materials Science — Materials Chemistry

Understanding catalysts by time-/space-resolved operando methodologies Heterogeneous catalysis has a central position in our everyday life and it is gaining importance with the changes in our economic model and with the progress of the energetic transition. New generation of catalysts are based on rational design, which is the fruit of thorough investigations in relevant conditions. Operando spectroscopy is the key to obtain the right information to understand the behavior of a catalytic material, as well as to unravel the reaction steps of a process. In the present contribution we have reviewed some of the most representative papers in the domain, focusing on energy-related investigations and on two extremely important aspects such as time and space resolution. We provide our point of view about the different methods and techniques, the shared vision about similarities in catalytic processes, as well as an opinion about the perspectives for future developments, notably in the field of industrial process monitoring. Biochemical engineering ; Process (computing) ; Catalysis ; Nanotechnology ; Computer science ; Field (mathematics) ; Process engineering ; Chemistry ; Materials science ; Engineering ; Mathematics ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Advanced Memory and Neural Computing