jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hendra Y. Agustian
Source: Chemistry Education Research and Practice (article, 2022-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Considering the hexad of learning domains in the laboratory to address the overlooked aspects of chemistry education and fragmentary approach to assessment of student learning This article seeks to provide researchers and practitioners in laboratory education, particularly those involved in the curriculum design and implementation of teaching laboratories at university level, with a conceptual framework and a working model for an integrated assessment of learning domains, by attending to a more holistic approach to learning in the laboratory. Prevailing learning theories suggest that the triad of cognitive, psychomotor, and affective domains should be addressed in order to warrant meaningful learning. In the research tradition of psychology and philosophy of mind, this triad also manifests as a concert of cognitive, conative, and affective domains. The paper argues that at least in the context of chemistry laboratory education, this is insufficient. The social and epistemic domains are often overlooked or dismissed altogether. Research in science studies may provide insight into the urgency and usefulness of integrating these domains into chemistry teaching and learning. Firstly, laboratory work is conceptualised here as an epistemic practice, in which students generate data, propose knowledge derived from the data, evaluate, and legitimise it. Secondly, the operationalisation of the hexad of learning domains is proposed, in terms of curriculum design, instruction, and assessment. Mathematics education ; Chemistry ; Computer science ; Psychology Various Chemistry Research Topics ; Innovative Teaching Methods ; Science Education and Pedagogy
Authors: Shichen Shen | Xue Wang | Xiaoyu Zhu | Sailee Rasam | Min Ma | Shihan Huo | Shuo Qian | Ming Zhang | Miao Qu | Chenqi Hu | Liang Jin | Yu Tian | Sanjay Sethi | David J. Poulsen | Jianmin Wang | Chengjian Tu | Jun Qu
Source: Nature Protocols (review, 2022-12-09)
Field: Chemistry — Spectroscopy

High-quality and robust protein quantification in large clinical/pharmaceutical cohorts with IonStar proteomics investigation Quantitative proteomics ; Orbitrap ; Proteomics ; False positive paradox ; Label-free quantification ; Proteome ; Repeatability ; Sample size determination ; Chromatography ; Computer science ; Computational biology ; Mass spectrometry ; Chemistry ; Bioinformatics ; Artificial intelligence ; Biology ; Statistics ; Mathematics Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Tienan Wang | Irfan Azhar | Yuting Yang | Yao Lu | Yuyang Tian | Nan Gao | Fengchao Cui | Yang Li | Xiaofei Jing | Guangshan Zhu
Source: Nano Research (article, 2022-02-08)
Field: Materials Science — Materials Chemistry

Fine-tuned mesoporous covalent organic frameworks for highly efficient low molecular-weight proteins separation Covalent organic frameworks (COFs) are prominent porous materials for molecules separation due to their desirable structures. However, very few COFs are reported for the separation of macromolecules such as low molecular-weight (MW) proteins. Here, two stable mesoporous COFs (Azo-COF and Tp-COF) with highly crystallized frameworks are synthesized, and their pore sizes are slightly-regulated via elaborate selection of pyrene knots and amino linkages. Benefiting from the pore size difference less than 4 Å, the tandem utilization of these two COFs exhibits efficiently size-selective separation ability towards low MW proteins cytochrome c and myoglobin with small MW difference of 2 kDa, in which protein adsorption possibilities are verified by computational calculations together with confocal laser scanning microscopy (CLSM). Furthermore, a simple COF-based separation device is designed and prepared to achieve effective and low-consumption proteins separation. This work has offered an optimized synthetic strategy for fine-tuned mesoporous COFs and expanded their applications on macromolecules separation. Mesoporous material ; Covalent bond ; Macromolecule ; Materials science ; Covalent organic framework ; Chemical engineering ; Mesoporous silica ; Nanotechnology ; Adsorption ; Porosity ; Pyrene ; Protein purification ; Molecule ; Chemistry ; Chromatography ; Organic chemistry ; Catalysis Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Syeda Javaria Kazmi | Muhammad Nadeem | Adnan Younis | Suraj Loomba | Babar Shabbir | Sadia Manzoor | Shahzad Hussain
Source: Journal of Magnetism and Magnetic Materials (article, 2022-10-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

PANI/CFO@CNTs ternary composite system for EMI shielding applications Materials science ; Electromagnetic shielding ; Composite number ; Polyaniline ; Composite material ; Ternary operation ; EMI ; Carbon nanotube ; Nanoparticle ; Raman spectroscopy ; Electromagnetic interference ; Nanotechnology ; Polymer ; Computer science ; Optics ; Telecommunications ; Polymerization Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies
Authors: Robin Heckershoff | Tobias Schnitzer | Tim Diederich | Lukas Eberle | Petra Krämer | Frank Röminger | Matthias Rudolph | A. Stephen K. Hashmi
Source: Journal of the American Chemical Society (article, 2022-04-26)
Field: Chemistry — Organic Chemistry

Efficient Synthesis of Dipyrrolobenzenes and Dipyrrolopyrazines <i>via</i> Bidirectional Gold Catalysis: a Combined Synthetic and Photophysical Study New N-heterocyclic fluorophores are sought-after compounds for organic electronic devices. Here, we report on a straightforward synthesis to access <i>meta</i>/<i>para</i>-dipyrrolobenzenes and <i>para</i>-dipyrrolopyrazines in high yields using a bidirectional gold-catalyzed cyclization strategy. The versatility of our reaction protocol was showcased by preparing dipyrroloarenes with different substituents, various functional groups, and in a multitude of substitution patterns. Furthermore, we showed that the dipyrroloarenes can be post-modified by N-alkylation to improve the solubility or bromination to yield precursors for further derivatization <i>via</i> cross-coupling. Investigation of the photophysical properties of the─mostly unprecedented─dipyrroloarenes identified strong blue emitters such as the diphenyl <i>meta</i>-dipyrrolobenzene with a quantum yield of 98%. Moreover, we showed that changes in the solvent polarity or interactions with Lewis acids such as borane can be used to fine-tune the photophysical properties of the fluorophores. Chemistry ; Quantum yield ; Combinatorial chemistry ; Yield (engineering) ; Catalysis ; Halogenation ; Alkylation ; Derivatization ; Borane ; Lewis acids and bases ; Fluorescence ; Photochemistry ; Organic chemistry Catalytic Alkyne Reactions ; Cyclopropane Reaction Mechanisms ; Catalytic Cross-Coupling Reactions
Authors: Ujala Rana | Salma Aman | Muhammad Naeem Ashiq | Muhammad Faisal Iqbal | Sumaira Manzoor | M.H.H. Mahmoud | A. Alhadhrami | Hosam O. Elansry | Diaa O. El-Ansari | T.A. Taha
Source: Journal of Sol-Gel Science and Technology (article, 2022-07-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Outstanding electrochemical behavior of reduced graphene oxide wrapped chromium sulfide nanoplates directly grown on nickel foam for supercapacitor applications Materials science ; Supercapacitor ; Graphene ; Nanocomposite ; Cyclic voltammetry ; Chemical engineering ; Oxide ; Electrochemistry ; Nanotechnology ; Nickel ; Electrolyte ; Scanning electron microscope ; Electrode ; Composite material ; Metallurgy ; Chemistry Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Electrocatalysts for Energy Conversion
Authors: Carl K. Edwards | Tuan Lai | Kevin Ros | Garrett Honke | Cho, Kyunghyun | Ji, Heng
Source: arXiv (Cornell University) (preprint, 2022-04-25)
Field: Materials Science — Materials Chemistry

Translation between Molecules and Natural Language We present $\textbf{MolT5}$ $-$ a self-supervised learning framework for pretraining models on a vast amount of unlabeled natural language text and molecule strings. $\textbf{MolT5}$ allows for new, useful, and challenging analogs of traditional vision-language tasks, such as molecule captioning and text-based de novo molecule generation (altogether: translation between molecules and language), which we explore for the first time. Since $\textbf{MolT5}$ pretrains models on single-modal data, it helps overcome the chemistry domain shortcoming of data scarcity. Furthermore, we consider several metrics, including a new cross-modal embedding-based metric, to evaluate the tasks of molecule captioning and text-based molecule generation. Our results show that $\textbf{MolT5}$-based models are able to generate outputs, both molecules and captions, which in many cases are high quality. Computer science ; Embedding ; Translation (biology) ; Natural language processing ; Natural language ; Natural language generation ; Machine translation ; Metric (unit) ; Modal ; Domain (mathematical analysis) ; Artificial intelligence ; Closed captioning ; Molecule ; Training set ; Chemistry ; Mathematics ; Engineering Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Topic Modeling
Authors: Alison N. Roth | Yunhua Chen | Marquix A. S. Adamson | Eunbyeol Gi | Molly Wagner | Aaron J. Rossini | Javier Vela
Source: ACS Nano (article, 2022-07-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Alkaline-Earth Chalcogenide Nanocrystals: Solution-Phase Synthesis, Surface Chemistry, and Stability Increasing demand for effective energy conversion materials and devices has renewed interest in semiconductors comprised of earth-abundant and biocompatible elements. Alkaline-earth sulfides doped with rare earth ions are versatile optical materials. However, relatively little is known about controlling the dimensionality, surface chemistry, and inherent optical properties of the undoped versions of alkaline-earth mono- and polychalcogenides. We describe the colloidal synthesis of alkaline-earth chalcogenide nanocrystals through the reaction of metal carboxylates with carbon disulfide or selenourea. Systematic exploration of the synthetic phase space allows us to tune particle sizes over a wide range using a mixture of commercially available carboxylate precursors. Solid-state NMR spectroscopy confirms the phase purity of the selenide compositions. Surface characterization reveals that bridging carboxylates and amines preferentially terminate the surface of the nanocrystals. While these materials are colloidally stable in the mother solution, the selenides are susceptible to oxidation over time, eventually degrading to selenium metal through polyselenide intermediates. As part of these investigations, we have developed the colloidal syntheses of barium di- and triselenides, two among few reported nanocrystalline alkaline-earth polychalcogenides. Electronic structure calculations reveal that both materials are indirect band gap semiconductors. The colloidal chemistry presented here may enable the synthesis of more complex, multinary chalcogenide materials containing alkaline-earth elements. Chalcogenide ; Alkaline earth metal ; Nanocrystal ; Materials science ; Band gap ; Nanocrystalline material ; Nanotechnology ; Nanoparticle ; Colloid ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Metal ; Physical chemistry Crystal Structures and Properties ; Solid-state spectroscopy and crystallography ; Chalcogenide Semiconductor Thin Films
Authors: Bhausaheb S. Rajput | Thien An Phung Hai | Natasha R. Gunawan | Marissa Tessman | Nitin Neelakantan | Gordon B. Scofield | José Brizuela | Anton A. Samoylov | Miheer Modi | Jenna Shepherd | Amal Patel | Robert S. Pomeroy | Naser Pourahmady | Stephen P. Mayfield | Michael D. Burkart
Source: Journal of Applied Polymer Science (article, 2022-09-06)
Field: Materials Science — Biomaterials

Renewable low viscosity <scp>polyester‐polyols</scp> for biodegradable thermoplastic polyurethanes Abstract In the transition to renewably sourced, biodegradable polymers, the preparation of low viscosity polyester‐polyols has posed a challenge for renewable polyurethane (PU) development. Low viscosity polyols not only reduce the requirement for high process temperatures but also decrease manufacturing time. In our efforts to incorporate increasing ratios of bio‐based monomers into renewable PUs, we mixed diacids such as even carbon sebacic acid and odd carbon azelaic acid along with a renewable diol. This provided library of 2000 g/mol molecular weight polyester‐polyols, and structures were established by 1 H and 13 C NMR analysis. The prepared polyester‐polyols offered lower viscosity and enable lower fabrication temperatures to make TPUs, and their structure and material metrics were evaluated. The formation of TPUs is ascertained from FTIR and NMR analysis. The final TPUs displayed good physical and mechanical properties. These TPUs exhibited T g in the range of −56.5 to −39.7°C, corresponding to TPU soft block structure, and T m between 98.3 and 105.1°C originating from the hard segment. Prepared TPUs exhibit excellent biodegradation under compost environmental conditions. These TPUs showed up to 57% decrease in molecular weight by GPC analysis after 9 weeks of biodegradation, and respirometer analysis displayed up to 97% biodegradation over 120 days. Biodegradation ; Polyester ; Materials science ; Polyol ; Polyurethane ; Chemical engineering ; Thermoplastic ; Dynamic mechanical analysis ; Polymer ; Diol ; Polymer chemistry ; Thermoplastic polyurethane ; Organic chemistry ; Elastomer ; Composite material ; Chemistry biodegradable polymer synthesis and properties ; Polymer composites and self-healing ; Carbon dioxide utilization in catalysis
Authors: Mary G. Siriboe | David A. Vargas | Rudi Fasan
Source: The Journal of Organic Chemistry (article, 2022-12-21)
Field: Chemistry — Organic Chemistry

Dehaloperoxidase Catalyzed Stereoselective Synthesis of Cyclopropanol Esters Chiral cyclopropanols are highly desirable building blocks for medicinal chemistry, but the stereoselective synthesis of these molecules remains challenging. Here, a novel strategy is reported for the diastereo- and enantioselective synthesis of cyclopropanol derivatives via the biocatalytic asymmetric cyclopropanation of vinyl esters with ethyl diazoacetate (EDA). A dehaloperoxidase enzyme from <i>Amphitrite ornata</i> was repurposed to catalyze this challenging cyclopropanation reaction, and its activity and stereoselectivity were optimized via protein engineering. Using this system, a broad range of electron-deficient vinyl esters were efficiently converted to the desired cyclopropanation products with up to 99.5:0.5 diastereomeric and enantiomeric ratios. In addition, the engineered dehaloperoxidase-based biocatalyst is able to catalyze a variety of other abiological carbene transfer reactions, including N-H/S-H carbene insertion with EDA as well as cyclopropanation with diazoacetonitrile, thus adding to the multifunctionality of this enzyme and defining it as a valuable new scaffold for the development of novel carbene transferases. Cyclopropanation ; Stereoselectivity ; Enantioselective synthesis ; Ethyl diazoacetate ; Carbene ; Biocatalysis ; Chemistry ; Combinatorial chemistry ; Enantiomer ; Diastereomer ; Organic chemistry ; Catalysis ; Stereochemistry ; Ionic liquid Cyclopropane Reaction Mechanisms ; Enzyme Catalysis and Immobilization
Authors: Ruo-Qin Jia | Geng Tan | Ying‐Jun Chen | Lu-Yang Zuo | Bo Li | Li‐Ya Wang
Source: Frontiers in Chemistry (article, 2022-02-28)
Field: Chemistry — Inorganic Chemistry

CuII Ion Doping Enhances the Water Stability of Luminescent Metal–Organic Framework, Realizing the Detection of Fe3+ and Antibiotics in Aqueous Solutions Luminescent metal-organic frameworks (LMOFs) have been widely developed in the field of chemical sensing owing to their outstanding photoluminescence performance, high selectivity, anti-interference, high sensitivity, and fast response, and have become one of the research hotspots of emerging functional materials. However, in practical applications, many tests are carried out in the water environment, and fragile water stability greatly limits the application of MOFs in the field. Therefore, it is important to develop a method to enhance the water stability of MOFs. Herein, a new complex {[Zn(L)]·CH<sub>3</sub>CN} <sub><i>n</i></sub> (<b>Zn-MOF</b>, H<sub>2</sub>L = 5-(benzimidazol-1-yl) isophthalic acid) with a superior photophysical property has been synthesized first. Its water stability was highly enhanced by the doping of Cu<sup>II</sup> ions by the one-pot method. In addition, the detection performances of doping material Cu<sub>0.1</sub>/Zn-MOF for sixteen metal ions and thirteen antibiotics were well studied. It was found that Cu<sub>0.1</sub>/Zn-MOF displays high sensitivity, fast response, lower detection limit, and long-term stability for the detection of Fe<sup>3+</sup>, NFT, NFZ, FZD, and TC in the aqueous medium. Isophthalic acid ; Metal ions in aqueous solution ; Aqueous solution ; Luminescence ; Detection limit ; Doping ; Materials science ; Chemical stability ; Metal-organic framework ; Photoluminescence ; Selectivity ; Ion ; Nanotechnology ; Metal ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Organic chemistry ; Optoelectronics ; Chromatography ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Molecular Sensors and Ion Detection
Authors: Xiufeng Cong | Jun Chen | Ran Xu
Source: Frontiers in Bioengineering and Biotechnology (review, 2022-06-29)
Field: Materials Science — Biomaterials

Recent Progress in Bio-Responsive Drug Delivery Systems for Tumor Therapy Spatially- and/or temporally-controlled drug release has always been the pursuit of drug delivery systems (DDSs) to achieve the ideal therapeutic effect. The abnormal pathophysiological characteristics of the tumor microenvironment, including acidosis, overexpression of special enzymes, hypoxia, and high levels of ROS, GSH, and ATP, offer the possibility for the design of stimulus-responsive DDSs for controlled drug release to realize more efficient drug delivery and anti-tumor activity. With the help of these stimulus signals, responsive DDSs can realize controlled drug release more precisely within the local tumor site and decrease the injected dose and systemic toxicity. This review first describes the major pathophysiological characteristics of the tumor microenvironment, and highlights the recent cutting-edge advances in DDSs responding to the tumor pathophysiological environment for cancer therapy. Finally, the challenges and future directions of bio-responsive DDSs are discussed. Drug delivery ; Tumor microenvironment ; Drug ; Hypoxia (environmental) ; Medicine ; Tumor hypoxia ; Pharmacology ; Pathophysiology ; Cancer therapy ; Targeted drug delivery ; Cancer research ; Cancer ; Tumor cells ; Chemistry ; Internal medicine ; Nanotechnology ; Radiation therapy ; Materials science Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Cancer, Hypoxia, and Metabolism
Authors: Rossella Annunziata | Bruno Hay Mele | Pina Marotta | Massimiliano Volpe | Laura Entrambasaguas | Svenja Mager | Krzysztof Stec | Maurizio Ribera d’Alcalà | Remo Sanges | Giovanni Finazzi | Daniele Iudicone | Marina Montresor | Maria Immacolata Ferrante
Source: Science Advances (article, 2022-01-19)
Field: Materials Science — Biomaterials

Trade-off between sex and growth in diatoms: Molecular mechanisms and demographic implications Diatoms are fast-growing and winning competitors in aquatic environments, possibly due to optimized growth performance. However, their life cycles are complex, heteromorphic, and not fully understood. Here, we report on the fine control of cell growth and physiology during the sexual phase of the marine diatom <i>Pseudo-nitzschia multistriata</i>. We found that mating, under nutrient replete conditions, induces a prolonged growth arrest in parental cells. Transcriptomic analyses revealed down-regulation of genes related to major metabolic functions from the early phases of mating. Single-cell photophysiology also pinpointed an inhibition of photosynthesis and storage lipids accumulated in the arrested population, especially in gametes and zygotes. Numerical simulations revealed that growth arrest affects the balance between parental cells and their siblings, possibly favoring the new generation. Thus, in addition to resources availability, life cycle traits contribute to shaping the species ecological niches and must be considered to describe and understand the structure of plankton communities. Biology ; Mating ; Diatom ; Population ; Ecological niche ; Ecology ; Transcriptome ; Population growth ; Plankton ; Evolutionary biology ; Gene ; Genetics ; Gene expression Diatoms and Algae Research ; Marine and coastal ecosystems ; Microbial Community Ecology and Physiology
Authors: Benjamin Ellyson | Kamel Fezzaa | Tao Sun | Niranjan D. Parab | Alec I. Saville | Christopher Finfrock | Connor J. Rietema | Douglas Smith | John Copley | C. Johnson | C. Gus Becker | Jonah Klemm-Toole | Cody Kirk | Nesredin Kedir | Junheng Gao | W. Chen | Rajarshi Banerjee | Kester D. Clarke | Amy J. Clarke
Source: Materials Science and Engineering A (article, 2022-07-30)
Field: Materials Science — Materials Chemistry

Transformation and twinning induced plasticity in metastable Ti-Mo alloys under high strain rate deformation Twip ; Materials science ; Plasticity ; Crystal twinning ; Strain rate ; Deformation mechanism ; Deformation (meteorology) ; Metallurgy ; Superplasticity ; Microstructure ; Titanium alloy ; Ductility (Earth science) ; Composite material ; Alloy Titanium Alloys Microstructure and Properties ; Metal and Thin Film Mechanics ; Advanced materials and composites