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1.
Nucleic Acids Res ; 52(D1): D1508-D1518, 2024 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-37897343

RESUMO

Knowledge of the collective activities of individual plants together with the derived clinical effects and targeted disease associations is useful for plant-based biomedical research. To provide the information in complement to the established databases, we introduced a major update of CMAUP database, previously featured in NAR. This update includes (i) human transcriptomic changes overlapping with 1152 targets of 5765 individual plants, covering 74 diseases from 20 027 patient samples; (ii) clinical information for 185 individual plants in 691 clinical trials; (iii) drug development information for 4694 drug-producing plants with metabolites developed into approved or clinical trial drugs; (iv) plant and human disease associations (428 737 associations by target, 220 935 reversion of transcriptomic changes, 764 and 154121 associations by clinical trials of individual plants and plant ingredients); (v) the location of individual plants in the phylogenetic tree for navigating taxonomic neighbors, (vi) DNA barcodes of 3949 plants, (vii) predicted human oral bioavailability of plant ingredients by the established SwissADME and HobPre algorithm, (viii) 21-107% increase of CMAUP data over the previous version to cover 60 222 chemical ingredients, 7865 plants, 758 targets, 1399 diseases, 238 KEGG human pathways, 3013 gene ontologies and 1203 disease ontologies. CMAUP update version is freely accessible at https://bidd.group/CMAUP/index.html.


Assuntos
Bases de Dados Factuais , Compostos Fitoquímicos , Plantas Medicinais , Humanos , Filogenia , Plantas Medicinais/química , Plantas Medicinais/classificação , Compostos Fitoquímicos/química , Compostos Fitoquímicos/farmacologia , Compostos Fitoquímicos/uso terapêutico
2.
Nucleic Acids Res ; 51(D1): D621-D628, 2023 01 06.
Artigo em Inglês | MEDLINE | ID: mdl-36624664

RESUMO

Quantitative activity and species source data of natural products (NPs) are important for drug discovery, medicinal plant research, and microbial investigations. Activity values of NPs against specific targets are useful for discovering targeted therapeutic agents and investigating the mechanism of medicinal plants. Composition/concentration values of NPs in individual species facilitate the assessments and investigations of the therapeutic quality of herbs and phenotypes of microbes. Here, we describe an update of the NPASS natural product activity and species source database previously featured in NAR. This update includes: (i) new data of ∼95 000 records of the composition/concentration values of ∼1 490 NPs/NP clusters in ∼390 species, (ii) extended data of activity values of ∼43 200 NPs against ∼7 700 targets (∼40% and ∼32% increase, respectively), (iii) extended data of ∼31 600 species sources of ∼94 400 NPs (∼26% and ∼32% increase, respectively), (iv) new species types of ∼440 co-cultured microbes and ∼420 engineered microbes, (v) new data of ∼66 600 NPs without experimental activity values but with estimated activity profiles from the established chemical similarity tool Chemical Checker, (vi) new data of the computed drug-likeness properties and the absorption, distribution, metabolism, excretion and toxicity (ADMET) properties for all NPs. NPASS update version is freely accessible at http://bidd.group/NPASS.


Assuntos
Produtos Biológicos , Pesquisa Biomédica , Bases de Dados Factuais , Descoberta de Drogas , Preparações Farmacêuticas/isolamento & purificação
3.
Nano Lett ; 24(2): 672-680, 2024 Jan 17.
Artigo em Inglês | MEDLINE | ID: mdl-38166484

RESUMO

Dendritic Li deposition, an unstable solid-electrolyte interphase (SEI), and a nearly infinite relative volume change during cycling are three major obstacles to the practical application of Li metal batteries. Herein, we introduce a compressible and elastic reduced graphene oxide sponge (rGO-S) to simultaneously eliminate Li dendrite growth, stabilize the SEI, and accommodate the volume change. The volume change is contained by compressing and expanding the rGO-S anode, which effectively releases the Li plating-induced stress during cycling. The smooth and dense Li metal is deposited on rGO-S without dendrites, which preserves the SEI, reduces consumption of the electrolyte, and prevents the formation of Li debris. The half-cells employing rGO-S show a steady and high Coulombic efficiency. The Li@rGO-S symmetric cells demonstrate excellent cycling stability over 1200 cycles with a low overpotential. When paired with LiFePO4 (LFP), the Li@rGO-S||LFP full cells exhibit a high specific capacity (150.3 mAh g-1 at 1C), superior rate performance, and good capacity retention.

4.
Inorg Chem ; 63(15): 7053-7062, 2024 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-38575504

RESUMO

Low-dimensional organic-inorganic hybrid perovskites (OIHPs) have shown significant potential in the optoelectronic field due to their adjustable structure and properties. However, the poor air stability and flexibility of the OIHP crystals limit their further development. Herein, three OIHP crystals have been synthesized using cadmium chloride and the isomer of phenylenediamine as raw materials. Mn2+ doping turns on the red-light emission of Cd-based OIHPs at around 625 nm. Interestingly, the organic ligands with different steric hindrance can induce a transition of the OIHP structure from two dimensions (2D) to one dimension (1D), thereby regulating the quantum yield of red luminescence in the range of 38.4% to nearly 100%. It is found that the surface-exposed amino groups are easy to oxidize, resulting in the instability of these OIHP crystals. Therefore, poly(lactic acid) (PLA) is selected to passivate OIHPs through hydrogen bonding between C═O of PLA and -NH2 on the surface of OIHPs. As a result, the production of OIHP-based flexible films with highly efficient and stable red emission can be obtained after being encapsulated by PLA. They demonstrate enormous application potential in flexible X-ray imaging. This study not only realizes stable perovskite films but also provides an effective design idea for red flexible scintillators.

5.
Angew Chem Int Ed Engl ; 63(13): e202400742, 2024 Mar 22.
Artigo em Inglês | MEDLINE | ID: mdl-38319193

RESUMO

Tautomers coexisting in an equilibrium system have significant potential for regulating luminescent properties because of their structural differences. However, separating and stabilizing tautomers at room temperature is a considerable challenge. In this study, it is found that hydrogen-bonded organic frameworks (HOFs) composed of Br- anions can effectively separate and stabilize two proton-transfer tautomers of triarylformamidinium bromide: namely, the nitrogen cation (BA-N) and carbon cation (BA-C). The BA-N crystal consisting of a dense anionic HOF and parallelly aligned organic cations exhibits green thermally activated delayed fluorescence and red room-temperature phosphorescence (RTP). The BA-C crystal contains acetone molecules that induce an antiparallel arrangement of the organic cations to form a loose HOF, producing blue prompt fluorescence and green RTP. Interestingly, switching of the HOFs between BA-N and BA-C can be achieved through the uptake and release of acetone, thereby dynamically adjusting multiple luminescent properties. Consequently, the HOF crystals can be used for the highly sensitive and specific sensing of acetone with a detection limit of 66.74 ppm. This study not only stabilizes tautomeric luminescent materials at room temperature, but also provides a new method for constructing smart HOFs with a sensitive response to a stimulus.

6.
Angew Chem Int Ed Engl ; 62(34): e202308418, 2023 Aug 21.
Artigo em Inglês | MEDLINE | ID: mdl-37401627

RESUMO

Rational design of crystalline porous materials with coupled proton-electron transfer has not yet been reported to date. Herein, we report a donor-acceptor (D-A) π-π stacking hydrogen-bonded organic framework (HOF; HOF-FJU-36) with zwitterionic 1,1'-bis(3-carboxybenzyl)-4,4'-bipyridinium (H2 L2+ ) as acceptor and 2,7-naphthalene disulfonate (NDS2- ) as donor to form a two-dimensional (2D) layer. Three water molecules were situated in the channels to connect with acidic species through hydrogen bonding interactions to give a 3D framework. The continuous π-π interactions along the a axis and the smooth H-bonding chain along the b axis provide the electron and proton transfer pathways, respectively. After 405 nm light irradiation, the photogenerated radicals could simultaneously endow HOF-FJU-36 with photoswitchable electron and proton conductivity due to coupled electron-proton transfer. By single-crystal X-ray diffraction (SCXRD) analyses, X-ray photoelectron spectroscopy (XPS), transient absorption spectra and density functional theory (DFT) calculations, the mechanism of the switchable conductivity upon irradiation has been demonstrated.

7.
Sensors (Basel) ; 22(13)2022 Jun 28.
Artigo em Inglês | MEDLINE | ID: mdl-35808381

RESUMO

This paper mainly studies the joint decision of transportation mode and path in the multi-mode transportation network to provide the optimal plan for freights. This paper constructs a multi-mode transportation network system by setting virtual connections between networks with different transportation modes. The Dijkstra and multi-objective optimization algorithms are used to select the path in the network. After determining the optimal path, the paths' time, cost, and risk functions are established. The multi-objective function is converted into a single objective function by setting constraint conditions through the analytic hierarchy process. Then, the function is optimized by using the gradient descent method. Finally, the transportation plan for the case of chemical freights is formulated by using the above algorithms. The results show that the proposed algorithm can successfully find the solution for the joint decision of transportation mode and path in the complex network. After a quantitative analysis of the planned effect, the optimization actions of changing the initial transportation time and adjusting the upper limit of resources are proposed. The study findings provide a theoretical basis for improving the efficiency of the comprehensive transportation network.


Assuntos
Algoritmos , Meios de Transporte
8.
Nano Lett ; 21(1): 250-257, 2021 Jan 13.
Artigo em Inglês | MEDLINE | ID: mdl-33356295

RESUMO

Anodic aluminum oxide (AAO) templates are widely used for the development of various functional nanomaterials due to their highly ordered and tunable porous structures. Here, we report a new hierarchical AAO (hAAO) template with the hexagonally ordered unit cells and the radially distributed nanochannels. It is formed by integrating the self-assembled polystyrene microsphere template into the AAO fabrication process and rationalized in terms of mechanical stress and electric-field-induced oxide dissolution. The back side of the hAAO template resembles a moth-eye-like nanoarray, which shows good hydrophobicity. A variety of radial nanopillar arrays and moth-eye-like nanoarrays are fabricated by a series of materials and synthesis techniques employing the hAAO template. These unique nanoarrays demonstrate many physicochemical properties that are distinct from those obtained from the conventional AAO template.

9.
Angew Chem Int Ed Engl ; 61(11): e202116511, 2022 Mar 07.
Artigo em Inglês | MEDLINE | ID: mdl-35015323

RESUMO

Herein, new types of zero-dimensional (0D) perovskites (PA6InCl9 and PA4InCl7) with blue room-temperature phosphorescence (RTP) were obtained from InCl3 and aniline hydrochloride. These are highly sensitive to external light and force stimuli. The RTP quantum yield of PA6InCl9 can be enhanced from 25.2 % to 42.8 % upon illumination. Under mechanical force, PA4InCl7 exhibits a phase transform to PA6InCl9, thus boosting ultralong RTP with a lifetime up to 1.2 s. Furthermore, white and orange pure RTP with a quantum yield close to 100 % can be realized when Sb3+ was introduced into PA6InCl9. The white pure phosphorescence with a color-rendering index (CRI) close to 90 consists of blue RTP of PA6InCl9 and orange RTP of Sb3+ . Thus, this work not only overcomes long-standing problems of low quantum yield and short lifetime of blue RTP, but also obtains high-efficiency white RTP. It provides a feasible method to realize near-unity quantum efficiency and has great application potential in the fields of optical devices and smart materials.

10.
Pharm Dev Technol ; 25(9): 1063-1070, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32589499

RESUMO

In this work, T7 modified nanoliposome loaded SNF (T7-SNF-NLPs) was developed. The physicochemical properties and characteristics of T7-SNF-NLPs, including morphology, particle size, zeta potential, stability, and in vitro release, were determined. In vitro toxicity and cellular uptake were evaluated in RKO cells. Antitumor efficiency was examined in RKO cells-bearing Kunming mice to assess their potential applications in the development of nanoliposomes therapeutics. The average particle size of T7-SNF-NLPs was observed to be 131.6 ± 1.7 nm and the polydispersity index represented a uniform mono-dispersion with PDI = 0.19. SNF was sustainably released from T7-SNF-NLPs at a release rate of 65% at 48 h in pH 7.4 PBS. The release rate of SNF was over 72% from T7-SNF-NLPs in pH 6.5 PBS, faster than that in pH 7.4, which indicated that the release rate of SNF was enhanced under the acidic environment. In vitro study clearly showed that T7 modified NLPs was more effective in inducing uptake and apoptosis in cancer cells than nonmodified NLPs. The IC50 values of T7-SNF-NLPs treated RKO cells was 9.54 µg/mL, 9.23 µg/mL for SNF-NLPs and 16.85 µg/mL for free SNF. T7-SNF-NLPs was highly efficient in suppressing the tumor growth in xenograft tumor model. The proportion of Ki67 in T7-SNF-NLPs group was significantly lower than that of either free drug or nonmodified NLPs.


Assuntos
Antineoplásicos/química , Colágeno Tipo IV/química , Neoplasias do Colo/tratamento farmacológico , Lipossomos/química , Nanopartículas/química , Fragmentos de Peptídeos/química , Receptores da Transferrina/química , Sorafenibe/química , Animais , Antineoplásicos/farmacologia , Apoptose/efeitos dos fármacos , Linhagem Celular Tumoral , Sistemas de Liberação de Medicamentos/métodos , Humanos , Camundongos , Tamanho da Partícula , Sorafenibe/farmacologia
11.
Guang Pu Xue Yu Guang Pu Fen Xi ; 36(3): 896-902, 2016 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-27400545

RESUMO

Human telomeric G-quadruplex is a four-stranded structure folded by guanines (G) via Hoogsteen hydrogen bonding. The ligands which stabilize the G-quadruplex are often telomerase inhibitors and may become antitumor agents. Here, the interaction between a lignan derivative liliflorin A and human telomeric sequence dGGG (TTAGGG)3G-quadruplex HTG21 were examined by CD, FRET, and NMR spectroscopic methods. In addition, Molecular Docking was used to study the binding of liliflorin A to dTAGGG (TTAGGG)3 G-quadruplex HTG23. The CD data showed that liliflorin A enhanced HTG21 T(m). The T(m) value of G-quadruplex was enhanced 3.2 degrees C by 4.0 µmol x L(-1) liliflorin A in FRET. The NMR spectra of HTG21 showed vivid alteration after reacting with liliflorin A in 3 hours. Molecular Docking suggested liliflorin A bound to the wide groove of HTG23 at G9, G10, G16 and G17. Liliflorin A was the first lignan derivative that could stabilize HTG21 selectively and provided a new candidate for antitumor drug design targeting on human telomeric G-quadruplex.


Assuntos
Quadruplex G , Lignanas/química , Análise Espectral , Telômero/química , Antineoplásicos , Inibidores Enzimáticos , Guanina , Humanos , Ligação de Hidrogênio , Ligantes , Simulação de Acoplamento Molecular
12.
Biomedicines ; 12(1)2024 Jan 16.
Artigo em Inglês | MEDLINE | ID: mdl-38255298

RESUMO

The human gut microbiota, comprising trillions of microorganisms residing in the gastrointestinal tract, has emerged as a pivotal player in modulating various aspects of human health and disease. Recent research has shed light on the intricate relationship between the gut microbiota and pharmaceuticals, uncovering profound implications for drug metabolism, efficacy, and safety. This review depicted the landscape of molecular mechanisms and clinical implications of dynamic human gut Microbiota-Drug Interactions (MDI), with an emphasis on the impact of MDI on drug responses and individual variations. This review also discussed the therapeutic potential of modulating the gut microbiota or harnessing its metabolic capabilities to optimize clinical treatments and advance personalized medicine, as well as the challenges and future directions in this emerging field.

13.
Polymers (Basel) ; 16(3)2024 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-38337291

RESUMO

Chiral nematic materials have been attracting attention in fields of advanced functional applications due to their unique iridescent colors and tunable helical structure. A precisely decreased pitch is of importance for construction and applications of chiral nematic materials; however, it remains a huge challenge. Herein, cellulose nanocrystal (CNC) is selected as a constructed matrix for chiral nematic films, and ferric chloride (FeCl3) is used as a modification agent. We investigate the effects of the ferric ion loads on the helical structure and optical characteristics of iridescent film. Subsequently, the influence of ferric ions on the assembly process of CNC liquid crystal and the regulation of the structure color of self-assembled monolayers are discussed. Therefore, the CNC/FeCl3 chiral nematic films showed a blueshifted structural color from orange to blue, which highlights a simple route to achieve the regulation of decreased pitch. Further, we have applied this CNC/FeCl3 chiral nematic film for benzene gas detection. The sensing performance shows that the CNC/FeCl3 chiral nematic film reacts to benzene gas, which can be merged into the nematic layer of the CNC and trigger the iron ions chelated on the CNC, consequently arousing the redshift of the reflected wavelength and the effective colorimetric transition. This CNC/FeCl3 chiral nematic film is anticipated to boost a new gas sensing mechanism for faster and more effective in-situ qualitative investigations.

14.
Chemosphere ; 361: 142530, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-38851511

RESUMO

Chiroptical sensing with real-time colorimetrical detection has been emerged as quantifiable properties, enantioselective responsiveness, and optical manipulation in environmental monitoring, food safety and other trace identification fields. However, the sensitivity of chiroptical sensing materials remains an immense challenge. Here, we report a dynamically crosslinking strategy to facilitate highly sensitive chiroptical sensing material. Chiral nematic cellulose nanocrystals (CNC) were co-assembled with amino acid by a two-step esterification, of which a precisely tunable helical pitch, a unique spiral conformation with hierarchical and numerous active sites in sensing performance could be trigged by dynamic covalent bond on amines. Such a CNC/amino acid chiral optics features an ultra-trace amount of 0.08 mg/m3 and a high sensitivity of 60 nm/(mg/m3) for formaldehyde gas at a molecule level detection, which is due to the three synergistic adsorption enhancement of dynamic covalent bonded interaction, hydrogen bonded interaction and van der Waals interaction. Meanwhile, an enhancement hierarchical adsorption of CNC/amino acid chiral materials can be readily representative to the precise helical pitch and colorimetrical switch for sensitive visualization reorganization.


Assuntos
Celulose , Nanopartículas , Compostos Orgânicos Voláteis , Celulose/química , Compostos Orgânicos Voláteis/análise , Compostos Orgânicos Voláteis/química , Nanopartículas/química , Monitoramento Ambiental/métodos , Aminoácidos/análise , Aminoácidos/química , Colorimetria/métodos , Estereoisomerismo , Formaldeído/química , Formaldeído/análise , Adsorção
15.
Adv Mater ; 36(21): e2314005, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38375769

RESUMO

Directional control of photon transport at micro/nanoscale holds great potential in developing multifunctional optoelectronic devices. Here, the switchable anisotropic/isotropic photon transport is reported in a double-dipole metal-organic framework (MOF) based on radical-controlled energy transfer. Double-dipole MOF microcrystals with transition dipole moments perpendicular to each other have been achieved by the pillared-layer coordination strategy. The energy transfer between the double dipolar chromophores can be modulated by the photogenerated radicals, which permits the in situ switchable output on both polarization (isotropy/anisotropy state) and wavelength information (blue/red-color emission). On this basis, the original MOF microcrystal with isotropic polarization state displays the isotropic photon transport and similar reabsorption losses at various directions, while the radical-affected MOF microcrystal with anisotropic polarization state shows the anisotropic photon transport with distinct reabsorption losses at different directions, finally leading to the in situ switchable anisotropic/isotropic photon transport. These results offer a novel strategy for the development of MOF-based photonic devices with tunable anisotropic performance.

16.
Heliyon ; 9(2): e13480, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36814612

RESUMO

Background: A disposable lunch box is an important cause of "white pollution". Many people consider that the disposable polylactic acid (PLA) lunch box is more environmentally friendly than the disposable paper pulp lunch box and can substitute for the latter. Objective: We can determine whether PLA tableware is more environmentally friendly than paper tableware by analyzing the product life cycle of two tableware types. At the same time, as a continuous compound, carbon dioxide has significant commercial value. Carbon dioxide materials' applications range from beverages to cosmetics and building materials. The future application of carbon dioxide in the field of lunch boxes is discussed in this paper. Methods: In this paper, the production stages of the two types of disposable lunch boxes were compared and surveyed using the life cycle assessment (LCA) method. Conclusion: The results reveal that the main impact of the two types of lunch boxes is resource damage; the PLA lunch box is not better than the paper type; the production stage of the disposable PLA lunch box poses greater damage to the environment in all aspects than the paper type. Discussion: Against the background of carbon neutrality and based on the constantly mature carbon dioxide conversion technology, the author explored the possibility of making products from carbon dioxide and proposed to make product designs based on carbon dioxide.

17.
Chem Asian J ; 18(2): e202201027, 2023 Jan 17.
Artigo em Inglês | MEDLINE | ID: mdl-36451290

RESUMO

Herein, a series of carbon dot composites (CDC) with full-color and long-lived room-temperature phosphorescence (RTP) are prepared by a simple solid-phase one-step method from a single non-conjugated and non-aromatic carbon source. The RTP emission wavelength can be adjusted from 462 to 623 nm by changing the feeding ratio and reaction temperature. The luminescent lifetime and quantum yield of a green emissive CDC (AB-CDC-3) reach 1.1 s and 39%, respectively, because of the close interaction between carbon dots and inorganic matrix. Due to the existence of multiple luminescent centers, these CDC exhibit excitation wavelength-dependent RTP and a white emission when excited at a specific wavelength. A single-component afterglow luminescent diode based on AB-CDC-4 shows a high-quality white emission with CIE of (0.30, 0.33) and color-rendering index of 88. Based on the unique photophysical properties of the composites, they exhibit huge application potential in the field of multilevel anti-counterfeiting, fingerprint identification, and optoelectronic devices.


Assuntos
Carbono , Luminescência , Temperatura
18.
Probiotics Antimicrob Proteins ; 15(5): 1371-1381, 2023 10.
Artigo em Inglês | MEDLINE | ID: mdl-36083465

RESUMO

Functional constipation is one of the most common gastrointestinal disorders. Oxidative stress can aggravate organ dysfunction. Enteric neurotransmitters have significant effects on the regulation of the enteric nervous system and intestinal muscle contraction. Oxidative stress and reduced gastrointestinal motility are considered to be one of the main causes of constipation. This study aimed to investigate whether LimosiLactobacillus pentosus CQZC02 alleviated loperamide hydrochloride (Lop)-induced constipation in mice under high-fat diet (HFD) conditions and to elucidate the underlying mechanism, focusing on enteric neurotransmitters. Four-week-old female BALB/c mice were randomly divided into five groups: normal group (Nor), constipation model group (H-Lop), L. pentosus CQZC02 low-dose group (H-Lop + ZC02L), L. pentosus CQZC02 high-dose group (H-Lop + ZC02H), and LimosiLactobacillus bulgaricus control group (H-Lop + LB). The fecal weight, water content, and total gastrointestinal transit time were measured to determine whether the mice were constipated. Small bowel and colon tissue damage was assessed by hematoxylin and eosin staining, while the degree of damage was determined by double-blind scoring. The levels of serum oxidative stress markers malondialdehyde, superoxide dismutase, glutathione peroxidase, and catalase and neurotransmitters motilin, gastrin, substance P, endothelin, somatostatin, and vasoactive intestinal peptide were measured. The gene expression levels of endothelial nitric oxide synthase, inducible nitric oxide synthase, neuronal nitric oxide synthase, nuclear factor kappa-B, and cyclooxygenase-2 in small intestine tissue were calculated. The constipation symptoms of mice in H-Lop group were manifested by a variety of physiological indicators. In addition, compared with the H-Lop group, H-Lop + ZC02H could effectively relieve the symptoms of constipation in mice. In symptom characterization, the mice in the H-Lop + ZC02H group lost weight and increased feces and water content. In functional experiments, gastrointestinal motility was enhanced; the inflammation score of intestinal tissue was decreased, and gene expression levels were modulated; serum oxidative factor levels were modulated, and oxidative stress levels were decreased.


Assuntos
Dieta Hiperlipídica , Mostardeira , Camundongos , Feminino , Animais , Dieta Hiperlipídica/efeitos adversos , Constipação Intestinal/induzido quimicamente , Constipação Intestinal/tratamento farmacológico , Intestino Delgado/metabolismo , Neurotransmissores
19.
J Chromatogr A ; 1704: 464089, 2023 Aug 16.
Artigo em Inglês | MEDLINE | ID: mdl-37307636

RESUMO

Traditional offline detection of volatile organic compounds (VOCs) requires complex and time-consuming pre-treatments including gas sampling in containers, pre-concentrations, and thermal desorption, which hinders its application in rapid VOCs monitoring. Developing a cost-effective instrument is of great importance for online measurement of VOCs. Recently, photoionization detectors (PID) are received great attention due to their fast response time and high sensitivity. This study a portable gas chromatography coupled to PID (pGC-PID) was developed and optimized experimental parameters for the application in online monitoring of VOCs at an industrial site. The sampling time, oven temperature and carrier gas flow rate were optimized as 80 s, 50 °C and 60 ml·min-1, respectively. The sampling method is direct injection. Poly tetra fluoroethylene (PTFE) filter membranes were selected to remove particulate matter from interfering with PID. The reproducibility and peak separation were good with relative standard deviations (RSD) ≤ 7%. Good linearities of 27 VOCs standard curves were achieved with R2 ≥ 0.99, and the detection limits were ≤10 ppb with the lowest being 2 ppb for 1,1,2-Trichloroethane. Finally, the pGC-PID is successfully applied in online VOCs monitoring at an industrial site. A total of 17 VOCs species was detected and their diurnal variations were well obtained, indicating pGC-PID is well suited for online analysis in field campaign.


Assuntos
Compostos Orgânicos Voláteis , Compostos Orgânicos Voláteis/análise , Reprodutibilidade dos Testes , Cromatografia Gasosa/métodos , Temperatura , Monitoramento Ambiental/métodos
20.
ACS Omega ; 8(18): 16384-16394, 2023 May 09.
Artigo em Inglês | MEDLINE | ID: mdl-37179647

RESUMO

Asphaltene, the most complex and recalcitrant fraction of heavy oil, was investigated in this study to gain new insights into its structure and reactivity. Two types of asphaltenes, ECT-As and COB-As, were extracted from ethylene cracking tar (ECT) and Canada's oil sands bitumen (COB), respectively, and used as reactants for slurry-phase hydrogenation. Characterization of ECT-As and COB-As was carried out by a combination of techniques, including XRD, elemental analysis, simulated distillation, SEM, TEM, NMR, and FT-IR, to gain insights into their composition and structure. A dispersed MoS2 nanocatalyst was used to study the reactivity of ECT-As and COB-As under hydrogenation conditions. The results showed that under optimal catalytic conditions, the vacuum residue content of hydrogenation products could be reduced to less than 20%, and the products contained over 50% light components (gasoline and diesel oil), indicating that ECT-As and COB-As were effectively upgraded. The characterization results indicated that ECT-As contained a higher aromatic carbon content, shorter alkyl side chains, fewer heteroatoms, and less highly condensed aromatics than COB-As. The light components (gasoline and diesel oil) of ECT-As hydrogenation products mainly consisted of aromatic compounds with 1-4 rings, with the alkyl chains mainly composed of C1-C2, while light components of COB-As hydrogenation products were mainly composed of aromatic compounds with 1-2 rings and C11-C22 paraffins. The characterization of ECT-As and COB-As and their hydrogenation products revealed that ECT-As was an "archipelago type" asphaltene, composed of multiple small aromatic nuclei interconnected through short alkyl chains, while COB-As was an "island type" asphaltene, with long alkyl chains connected to aromatic nuclei. It is suggested that the structure of asphaltene has a significant impact on both its reactivity and product distribution.

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