jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hu Shi | Wei Cai | Xin Wang | Lei Song | Yuan Hu
Source: JOURNAL OF RENEWABLE MATERIALS (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Effect of Bio-Based Organic‒Inorganic Hybrid Hydrogels on Fire Prevention of Spontaneous Combustion of Coals To solve the fire accidents caused by coal combustion, this work prepared four hybrid hydrogel materials using bio-based polymers, flame retardants, and inorganic materials. Compared to pure water and 3.5 wt% MgCl2 solution, the as-prepared hydrogel presents good fire prevention performance. In addition, it is found that CO and CO2 are not produced by coal when the pyrolysis temperature is lower than 200°C. During low-temperature pyrolysis, CO is more likely to be produced than CO2, indicating inadequate pyrolysis behavior. At the same time, the addition of fire-preventing hydrogel can not only decrease the maximum CO2 concentration before the critical temperature but also prolong the corresponding time. In addition, based on the cone calorimeter test, the inhibition effects of pure water, magnesium chloride solution, and four hybrid hydrogels on heat release behavior are evaluated. It is demonstrated that different dosages of different hydrogels affected the fire prevention effect. Phosphorous-modified cellulose/silica and carrageenan/DMMP/vermiculite composite hydrogels have the weakest fire prevention effect at 20 g, which is weaker than that of water. However, the fire prevention effect of carrageenan/ DMMP/vermiculite composite hydrogels exceeded that of water at 40 and 60 g. Additionally, the fire prevention effect of the sodium alginate/sepiolite/ammonium polyphosphate composite hydrogel is most significant in common tests, attributed to the intumescent flame retardant system. Self-healing hydrogels ; Fire retardant ; Cone calorimeter ; Chemical engineering ; Vermiculite ; Materials science ; Pyrolysis ; Combustion ; Composite number ; Ammonium polyphosphate ; Pulp and paper industry ; Composite material ; Chemistry ; Char ; Polymer chemistry ; Organic chemistry Flame retardant materials and properties ; Fire dynamics and safety research ; Combustion and Detonation Processes
Authors: Zheng‐Fei Liu | Xin‐Yi Ye | Lihua Chen | Li‐Ya Niu | Wei Jun Jin | Shaodong Zhang | Qing‐Zheng Yang
Source: ChemRxiv (preprint, 2023-10-25)
Field: Materials Science — Materials Chemistry

Spontaneous Symmetry Breaking of Achiral Molecules Leading to the Formation of Homochiral Superstructures that Exhibit Mechanoluminescence Chirality, with its intrinsic symmetry-breaking feature, is frequently utilized in the creation of acentric crystalline functional materials that exhibit intriguing optoelectronic properties. On the other hand, the development of chiral crystals from achiral molecules offers a solution that bypasses the need for enantiopure motifs, presenting a promising alternative and thereby expanding the possibilities of the self-assembly toolkit. Nevertheless, the rational design of achiral molecules that prefer spontaneous symmetry breaking during crystallization has so far been obscure. In this study, we present a series of six achiral molecules, demonstrating that when these conformationally flexible molecules adopt a cis-conformation and engage in multiple non-covalent interactions along a helical path, they collectively self-assemble into chiral superstructures consisting of single-handed supramolecular columns. When these homochiral supramolecular columns align in parallel, they form polar crystals that exhibit intense luminescence upon grinding or scraping. We therefore demonstrate our molecular design strategy could significantly increase the likelihood of symmetry breaking in achiral molecular synthons during self-assembly, offering a facile access to novel chiral crystalline materials with unique optoelectronic properties. Supramolecular chemistry ; Molecule ; Chirality (physics) ; Synthon ; Mechanoluminescence ; Materials science ; Enantiopure drug ; Supramolecular chirality ; Crystallization ; Self-assembly ; Crystallography ; Luminescence ; Chemical physics ; Symmetry breaking ; Rational design ; Nanotechnology ; Chiral symmetry breaking ; Chemistry ; Stereochemistry ; Physics ; Optoelectronics ; Enantioselective synthesis ; Organic chemistry Luminescence and Fluorescent Materials ; Supramolecular Self-Assembly in Materials ; Covalent Organic Framework Applications
Authors: Vanessa Bijak | Michał Gucwa | Joanna Lenkiewicz | Krzysztof Murzyn | David R. Cooper | W. Minor
Source: Nihon Kessho Gakkaishi (article, 2023-02-28)
Field: Materials Science — Materials Chemistry

Continuous Validation Across Macromolecular Structure Determination Process The overall quality of the experimentally determined structures contained in the PDB is exceptionally high, mainly due to the continuous improvement of model building and structural validation programs. Improving reproducibility on a large scale requires expanding the concept of validation in structural biology and all other disciplines to include a broader framework that encompasses the entire project. A successful approach to science requires diligent attention to detail and a focus on the future. An earnest commitment to data availability and reuse is essential for scientific progress, be that by human minds or artificial intelligence. Reuse ; Computer science ; Process (computing) ; Scale (ratio) ; Data science ; Focus (optics) ; Quality (philosophy) ; Management science ; Engineering Enzyme Structure and Function ; Protein Structure and Dynamics ; RNA and protein synthesis mechanisms
Authors: Akanksha S. Atole | Vijaya Barge
Source: International Journal of Scientific Research in Science and Technology (review, 2023-12-10)
Field: Materials Science — Biomaterials

A Review on Liposomes : A Promising Technique for Drug Delivery System This Liposomes are microscopic (unilamellar or multilamellar) vesicles. Liposomes have been considered promising and versatile drug vesicles. Compared with traditional drug delivery systems, liposomes exhibit better properties, including site-targeting, sustained or controlled release, protection of drugs from degradation and clearance, superior therapeutic effects, and lower toxic side effects. Given these merits, several liposomal drug products have been successfully approved and used in clinics over the last couple of decades. Currently, a number of liposomal formulations are on the marker for cancer treatment and many more are in pipe line. This review discusses about the liposome components, methods of preparation, drug encapsulation mechanism and the potential therapeutic applications of liposomes in cancer therapy. The term liposome means lipid body. It has been derived on the basis of name of subcellular particles, ribosome. Liposomes were first made by A.D Bangham in early 1960s. Their size ranges from 25 to 500 nm. This paper summarizes exclusively scalable techniques and focuses on limitations in respect to industrial applicability and regulatory requirements concerning liposomal drug formulations based on FDA and EMEA documents. Liposome ; Drug ; Drug delivery ; Pharmacology ; Nanotechnology ; Chemistry ; Medicine ; Materials science Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Advanced biosensing and bioanalysis techniques
Authors: Naresh Pothuraju | Harish Kumar P | Rushikant Jagdale | U. Ashok Kumar | Rahul L. Gajbhiye | Vipan K. Parihar | V. Ravichandiran | Ramalingam Peraman
Source: Research Square (preprint, 2023-09-12)
Field: Chemistry — Analytical Chemistry

ICP-MS-based quantitative analysis of multi-elements in commonly edible products using different microwave-assisted acid extraction (MW-AAE) methods Abstract This study quantified 13 hazardous heavy metals in 24 edible products, sourced from Bihar, Uttar Pradesh, and West Bengal regions of India. An inductively coupled plasma-mass spectrometry (ICP-MS) was used for determining the 13 elements of ICH3D document including Class 1 (Arsenic, Cadmium, Lead), Class 2A (Cobalt, Vanadium, Nickle), Class 2B (Thallium, Palladium, Selenium, Silver), and Class 3 (Barium, Copper, Chromium). The certified reference material of 29-Analyte /IMS-102 peach leaves was used for validating the digestion procedure. The elements were extracted from food products using different microwave assisted acid extraction (MW-AAE) procedures viz. method A, B, and C under closed conditions. The ICP-MS conditions demonstrated more sensitive detection for cd (0.009 ppb), Co (0.0098 ppb), Ti (0.0049 ppb) and Ag (0.0006 ppb) and recorded more than 50 ppt (0.05 ppb) for As, Pb, Ni, V, Se and Ba with acceptable BEC levels in the linearity range of 0.1 to 2000 ppb (r2 &gt; 0.9). The precision % RSD and the % recovery (IS: Y, Tb, Sc) for all food products was acceptable. Among the digestion methods, the method A demonstrated more superior detection to Cd, V, Ag, Cu, Ba and Cr, whilst method B detected Thallium. Both methods B and C were equally detected As and Pd. All digestions afforded Pb, Co, Ni, Th and Cu at precise levels. Amongst the elements, Hg, V, Ni, Pd, TI, Pt, and Sb were below the permissible limits whilst As, Pb, Cd, Se, Cr, Cu, Co, Ba, Mo and Ag, were above the limits. The principal component analysis for comparison of digestion procedures revealed that the method-A digestion afforded better extraction for sensitive detection, nevertheless correlation was significant for elements detection from methods A, B, and C. Cadmium ; Microwave digestion ; Arsenic ; Inductively coupled plasma mass spectrometry ; Thallium ; Chemistry ; Certified reference materials ; Detection limit ; Extraction (chemistry) ; Aqua regia ; Barium ; Chromium ; Nuclear chemistry ; Inductively coupled plasma ; Selenium ; Chromatography ; Mass spectrometry ; Metal ; Inorganic chemistry Heavy Metals in Plants ; Heavy metals in environment ; Analytical chemistry methods development
Authors: Eric D. Gardner | Bryce P. Johnson | Dustin A. Dimas | Heather E. McClurg | Zachary C. Severance | Anthony W. G. Burgett | Shanteri Singh
Source: ChemCatChem (article, 2023-08-10)
Field: Chemistry — Organic Chemistry

Unlocking New Prenylation Modes: Azaindoles as a New Substrate Class for Indole Prenyltransferases Aza-substitution, the replacement of aromatic CH groups with nitrogen atoms, is an established medicinal chemistry strategy for increasing solubility, but current methods of accessing functionalized azaindoles are limited. In this work, indole-alkylating aromatic prenyltransferases (PTs) were explored as a strategy to directly functionalize azaindole-substituted analogs of natural products. For this, a series of aza-l-tryptophans (Aza-Trp) featuring <i>N</i>-substitution of every aromatic CH position of the indole ring and their corresponding cyclic Aza-l-Trp-l-proline dipeptides (Aza-CyWP), were synthesized as substrate mimetics for the indole-alkylating PTs FgaPT2, CdpNPT, and FtmPT1. We then demonstrated most of these substrate analogs were accepted by a PT, and the regioselectivity of each prenylation was heavily influenced by the position of the <i>N</i>-substitution. Remarkably, FgaPT2 was found to produce cationic <i>N</i>-prenylpyridinium products, representing not only a new substrate class for indole PTs but also a previously unobserved prenylation mode. The discovery that nitrogenous indole bioisosteres can be accepted by PTs thus provides access to previously unavailable chemical space in the search for bioactive indolediketopiperazine analogs. Indole test ; Prenylation ; Prenyltransferase ; Chemistry ; Substrate (aquarium) ; Stereochemistry ; Organic chemistry ; Enzyme ; Biology Synthesis of Indole Derivatives ; Tea Polyphenols and Effects ; Biochemical and biochemical processes
Authors: Muna A.Y. Al-Mussawii | Emad Y.A. AL-Sultan | Maytham A. AL-Hamdani
Source: Baghdad Science Journal (article, 2023-02-20)
Field: Materials Science — Biomaterials

Evaluation of the cytotoxic effects of the colchicine compound isolated from the leaves of Calotropis procera (Ait) against MCF-7 and SK-GT-4 cancer cell lines. Alkaloids are regarded as important nitrogen-containing chemical compounds that serve as a rich source for discovering and developing new drugs where most plant-origin alkaloids have antiproliferation effects on different kinds of cancers. Alkaloids’ continence of Calotropis procera leaves are detected by two biochemical alkaloid reagents. Also GC-MS analysis for leaf alkaloid extract was done that showed the existence of one type of alkaloid compound at retention time12.8min detected as colchicine (C22H25N06( by comparing it with colchicine standard reference (Sigma Aldrich) with M.wt 399g/mol and percentage area 7.1%. Furthermore, identification, separation, and purification for purified colchicine compound were conducted by HPLC technique that gave one main peak at RT reached 2.5min compared with the standard reference. Evaluation of the anticancer activity of purified colchicine on two (MCF-7 &amp;SK-GT-4) cell lines revealed significant cytotoxicity on the MCF-7 cell line that was superior to its cytotoxicity on the SK-GT4 cell line. With calculated IC50 reached 55.33µg/ml &amp;522 µg/ml respectively. Calotropis procera ; Alkaloid ; Colchicine ; Cytotoxicity ; MCF-7 ; Cancer cell lines ; Chemistry ; Cell culture ; Procera ; High-performance liquid chromatography ; Chromatography ; Traditional medicine ; Cancer cell ; Stereochemistry ; Biology ; Botany ; Biochemistry ; In vitro ; Cancer ; Medicine Phytochemistry and Bioactive Compounds ; Phytochemistry and Bioactivity Studies ; Phytochemical compounds biological activities
Authors: Arun Srivastava | Arundhati Singh | Vinay Kumar Singh
Source: Advance in Biological Research (article, 2023-12-29)
Field: Chemistry — Organic Chemistry

Ethnomedicinal Potential of Indian Coffee Plum: <i>Flacourtia Jangomas</i> Medicinal plants are large-scale sources of indigenous medicines and they have been used for centuries to treat various diseases.Bioactive compounds are being isolated from medicinal plants day by day and serve as an important source of raw materials for drug discovery.Flacourtia jangomas is a plant belonging to the family of Flacourtiaceae growing in various parts of the world.Common names of F. jangomas are Coffee plum, Indian plum, Manila cherry, and Paniala.Aerial parts of the plant are used in the treatment of diabetics, asthma, anemia, and antibacterial, antidiarrheal, and antioxidant activities.F. jangomas revealed several bioactive constituents, including carbohydrates, protein, lipids, alkaloids, glycosides, tannins, etc.The fruits are rich in nutrients, protein, fat, sugars, amino acids, vitamin C, and minerals including calcium, potassium, phosphorous, iron, magnesium, sodium, manganese, copper, and zinc.The ripe fruits have high fiber content together with good protein content, low fat, and higher amount of monounsaturated fatty acids as compared to polyunsaturated fatty acids.It contains a significant amount of beta-carotene followed by lutein and zeaxanthin, retinol, and phylloquinone which are important in the regulation of hemoglobin and fibrinogen in the human body.Flacourtiaceae family elaborates a diverse array of compound classes which include terpenoids, alkaloids, flavonoids and tannins, lignans and flavanolignans, glucosides, coumarins, and isocoumarins. Traditional medicine ; Agroforestry ; Geography ; Biology ; Medicine Plant-Derived Bioactive Compounds ; Advances in Cucurbitaceae Research ; Plant tissue culture and regeneration
Authors: Pu Chen | Guo‐Gang Shan | Qingli Nie | Yuting Yan | Pengfei Zhang | Zujin Zhao | Hai‐Tao Feng | Ben Zhong Tang
Source: ChemRxiv (preprint, 2023-06-28)
Field: Materials Science — Materials Chemistry

Two-color Emissive AIEgens with Anti-Kasha Property for Dual-Organelle Imaging and Phototherapy Despite the rapid development of probes for targeting single organelle, construction of robust dual-organelle targeting probes with multicolor emission was rarely reported. Towards this end and in consideration of the unique advantages of aggregation-induced emission luminogens (AIEgens), two dual emissive AIEgens with donor-π-acceptor structures were designed and syn-thesized, namely QT-1 and QF-2. Both two AIEgens exhibited excitation wavelength-dependence defying the Kasha’s rule. The invariant near-infrared emission was originated from S1 of AIEgens to S0. However, its anti-Kasha luminescence at a short wavelength from the S2 state can be tuned by changing the excitation wavelength. Given the two-color emission of AIEgens, QT-1 and QF-2 could stain lipid droplets (LDs) and mitochondria in a blue and red fluorescence, respectively. Moreover, thanks to the near-infrared emission and abundant ROS generation efficiency of QT-1, it was chosen as a photodynamic thera-py agent to selectively kill cancer cells from normal cells. Upon light irradiation, obvious decrease of mitochondrial membrane potential (MMP) and serious change of mitochondrial shape in cells were observed, which corresponded to the efficient inhibi-tion of tumor growth in vivo. This work afforded a promising strategy for the construction of multicolor emission by tuning anti-Kasha behaviors and to expand their application in dual-organelle targeting-based phototheranostics. Fluorescence ; Organelle ; Aggregation-induced emission ; Biophysics ; Chemistry ; Lipid droplet ; Nanotechnology ; Materials science ; Optics ; Physics ; Biology ; Biochemistry Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Porphyrin and Phthalocyanine Chemistry
Authors: Jun‐Cheng Yang | Zhiyuan Fu | Huili Ma | Tao Wang | Qiuying Li | Kai Wang | Lin Wu | Pu Chen | Hai‐Tao Feng | Ben Zhong Tang
Source: ChemRxiv (preprint, 2023-02-14)
Field: Materials Science — Materials Chemistry

Pressure/thermo-induced hypsochromic-shifted and enhanced luminescence based on carbazole emitter Most organic mechanochromic luminogens show bathochromic-shifted and quenched emission with increasing pressure. Design of turn-on mechanochromic material with hypsochromic-shifted luminescence is still a challenge. Herein, a novel emitter (namely DCzPy) was prepared through lab-synthesized carbazole to study its stimuli-responsive luminescence. The crystalline powders of DCzPy emitted blue-green fluorescence at 490 nm. Upon gently grinding, the fluorescence intensity of DCzPy was dramatically enhanced with a hypsochromic-shift by 33 nm. Further heavily grinding, its emission wavelength returned to 490 nm. Powder X-ray diffraction patterns indicated that such behaviors were attributed to the solid-state morphology transition from crystal-to-crystal. Interestingly, a large bathochromic-shifted and weakened fluorescence was achieved under isotropic compression. Moreover, thermo-responsive behavior of DCzPy was studied in the film to find that its emission turned from green to blue as temperature elevated. Given the thermo-induced fluorescence switching of DCzPy, a 2D code was fabricated for information anti-counterfeiting. Hypsochromic shift ; Bathochromic shift ; Fluorescence ; Luminescence ; Materials science ; Carbazole ; Photochemistry ; Blueshift ; Optoelectronics ; Photoluminescence ; Analytical Chemistry (journal) ; Optics ; Chemistry ; Organic chemistry Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Polydiacetylene-based materials and applications
Authors: Yu Zhao | Kai Zhang | Yubin Bai | Yantu Zhang | Shi‐Hui Shi
Source: Chinese Journal of Organic Chemistry (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

A Metal-Free Photocatalytic Hydrosilylation of Alkenes Using Bromide Salt as a Hydrogen Atom Transfer Reagent A metal-free photocatalytic hydrosilylation of alkenes through the selective activation of Si-H bond has been developed utilizing the readily available and cheaper bromide salt as the catalytic hydrogen atom transfer (HAT) reagent. This protocol features excellent functional group tolerance and broad substrate scope, affording the organosilicon compounds in moderate to excellent yields under a mild and redox-neutral process. This strategy was successfully applied for the introduction of the silyl group into bio-relevant active molecules. Chemistry ; Hydrosilylation ; Reagent ; Hydrogen atom ; Hydrogen bromide ; Bromide ; Salt (chemistry) ; Photocatalysis ; Photochemistry ; Metal ; Polymer chemistry ; Organic chemistry ; Catalysis ; Bromine ; Alkyl Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods
Authors: Zahra Manzoor | Vahagn Mkhitaryan | Michael D. Sinanis | Ömer Yeşilyurt | Dimitrios Peroulis | Alexander V. Kildishev
Source: Advanced Physics Research (article, 2023-02-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Employing Topological Properties of Phase Singularities for Designing Supercavity Systems with Tailored Excitation Abstract Trapping electromagnetic waves in high‐index resonators with extreme quality factors ( Q ‐factor) can be achieved by exciting supercavity (quasi‐bound states in the continuum, quasi‐BIC) modes with minimal radiation loss. Conventionally, the quasi‐BICs are achieved by tuning the resonator dimensions to promote destructive interference between two modes in the cavity. In this work, an enhanced Q ‐factor is achieved by manipulating the structure of a near‐field excitation source and tailoring the excitation strength of individual multipolar modes. A pair of concentric rings with strong mutual coupling is used in contrast to a simple single‐ring case. We show that adding the second passive ring enables additional degrees of freedom to manipulate the multipolar content exited in the cavity. The multipole decomposition of the cavity modes is performed using full‐wave numerical simulations to support these claims. Experimental validation with a double‐ring fed supercavity demonstrates the highest measured Q ‐factor of ≈310 or ≈2× the quality factor of a design without supercavity, which is consistent with a numerical model predicting up to 3× enhanced Q ‐factor. We show that, analyses of polarization singularities and multipolar decomposition can be used to understand, characterize, and design such systems, employing their topological properties not broadly explored before. Multipole expansion ; Resonator ; Excitation ; Q factor ; Physics ; Topology (electrical circuits) ; Quality (philosophy) ; Polarization (electrochemistry) ; Optics ; Computational physics ; Quantum mechanics ; Mathematics ; Chemistry Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Microwave Engineering and Waveguides