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801.
Mostafa Bendahmane Felipe Wallison Chaves-Silva 《Comptes Rendus Mathematique》2012,350(11-12):587-590
This Note is devoted to the analysis of the null controllability of a nonlinear reaction–diffusion system, approximating a parabolic–elliptic system, modeling electrical activity in the heart. The uniform, with respect to the degenerating parameter, null controllability of the approximating system by a single control force acting on a subdomain is shown. The proof needs a precise estimate with respect to the degenerating parameter and it is done combining Carleman estimates and energy inequalities. 相似文献
802.
We perform, with the help of cloud computing resources, extensive Langevin simulations which provide compelling evidence in favor of a general Markovian framework for unbiased three-dimensional polymer translocation. Our statistical analysis consists of careful evaluations of (i) two-point correlation functions of the translocation coordinate and (ii) the empirical probabilities of complete polymer translocation (taken as a function of the initial number of monomers on a given side of the membrane). We find good agreement with predictions derived from the Markov chain approach recently addressed in the literature by the present authors. 相似文献
803.
804.
Yanet Fuentes‐Martínez Carolina Godoy‐Alcántar Felipe Medrano Alexander Dikiy 《Journal of Physical Organic Chemistry》2012,25(12):1395-1403
Imine formation in aqueous solution of kanamycin A with pyridoxal 5'‐phosphate and other aldehydes was studied by potentiometry, NMR spectroscopy and computational chemistry. It was found that imines are formed with yields near 100 % at pH 7 in equimolar reactant ratio. In order to identify the kanamycin amino groups involved in the reaction, a NMR spectroscopic study was conducted. The structures of possible imines formed between kanamycin and FURAN or PLP were optimized by molecular mechanics with the OPLS‐2005 force field. The 1H NMR spectra were calculated at the DFT‐GIAO B3LYP/6‐31G(d) level of theory for all structures and compared with the experimentally observed spectra. From these results a probable structure of the imines was proposed. The results obtained in this work show that kanamycin has the ability to form imine derivatives in high yields due to its anion recognition properties. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
805.
Bassam Felipe Mogharbel Marco Andr Cardoso Ana Carolina Irioda Priscila Elias Ferreira Stricker Robson Camilotti Slompo Julia Maurer Appel Nathalia Barth de Oliveira Maiara Carolina Perussolo Claudia Sayuri Saaki Nadia Nascimento da Rosa Dilcele Silva Moreira Dziedzic Christophe Travelet Sami Halila Redouane Borsali Katherine Athayde Teixeira de Carvalho 《Molecules (Basel, Switzerland)》2022,27(9)
Background: Parkinson’s disease (PD) is the second most common age-related neurodegenerative disorder. Levodopa (L-DOPA) remains the gold-standard drug available for treating PD. Curcumin has many pharmacological activities, including antioxidant, anti-inflammatory, antimicrobial, anti-amyloid, and antitumor properties. Copolymers composed of Poly (ethylene oxide) (PEO) and biodegradable polyesters such as Poly (ε-caprolactone) (PCL) can self-assemble into nanoparticles (NPs). This study describes the development of NH2–PEO–PCL diblock copolymer positively charged and modified by adding glutathione (GSH) on the outer surface, resulting in a synergistic delivery of L-DOPA curcumin that would be able to pass the blood–brain barrier. Methods: The NH2–PEO–PCL NPs suspensions were prepared by using a nanoprecipitation and solvent displacement method and coated with GSH. NPs were submitted to characterization assays. In order to ensure the bioavailability, Vero and PC12 cells were treated with various concentrations of the loaded and unloaded NPs to observe cytotoxicity. Results: NPs have successfully loaded L-DOPA and curcumin and were stable after freeze-drying, indicating advancing into in vitro toxicity testing. Vero and PC12 cells that were treated up to 72 h with various concentrations of L-DOPA and curcumin-loaded NP maintained high viability percentage, indicating that the NPs are biocompatible. Conclusions: NPs consisting of NH2–PEO–PCL were characterized as potential formulations for brain delivery of L-DOPA and curcumin. The results also indicate that the developed biodegradable nanomicelles that were blood compatible presented low cytotoxicity. 相似文献
806.
Mireya Santander-Nelli Bastin Boza Felipe Salas David Zambrano Luis Rosales Paulina Dreyse 《Molecules (Basel, Switzerland)》2022,27(9)
With an appropriate mixture of cyclometalating and ancillary ligands, based on simple structures (commercial or easily synthesized), it has been possible to design a family of eight new Ir(III) complexes (1A, 1B, 2B, 2C, 3B, 3C, 3D and 3E) useful as luminescent materials in LEC devices. These complexes involved the use of phenylpyridines or fluorophenylpyridines as cyclometalating ligands and bipyridine or phenanthroline-type structures as ancillary ligands. The emitting properties have been evaluated from a theoretical approach through Density Functional Theory and Time-Dependent Density Functional Theory calculations, determining geometric parameters, frontier orbital energies, absorption and emission energies, injection and transport parameters of holes and electrons, and parameters associated with the radiative and non-radiative decays. With these complexes it was possible to obtain a wide range of emission colours, from deep red to blue (701–440 nm). Considering all the calculated parameters between all the complexes, it was identified that 1B was the best red, 2B was the best green, and 3D was the best blue emitter. Thus, with the mixture of these complexes, a dual host–guest system with 3D-1B and an RGB (red–green–blue) system with 3D-2B-1B are proposed, to produce white LECs. 相似文献
807.
Jose Luis Ropero-Vega Joshua Felipe Redondo-Ortega Juliana Paola Rodríguez-Caicedo Paola Rondn-Villarreal Johanna Marcela Flrez-Castillo 《Molecules (Basel, Switzerland)》2022,27(9)
The detection of pathogens through alternative methodologies based on electrochemical biosensors is being studied. These devices exhibit remarkable properties, such as simplicity, specificity, and high sensitivity in monitoring pathogens. However, it is necessary to continue conducting studies that adequately improve these characteristics, especially the recognition molecule. This work aims to design and evaluate a new peptide, named PEPTIR-2.0, as a recognition molecule in electrochemical biosensors to detect E. coli O157:H7 in water. PEPTIR-2.0 was obtained from modifications of the PEPTIR-1.0 peptide sequence, which was previously reported and exhibited excellent properties for detecting and quantifying this pathogenic microorganism. PEPTIR-1.0 is a peptide analogous to the TIR (Translocated Intimin Receptor) protein capable of interacting with the Intimin outer membrane. The basis of this study was to obtain, by using bioinformatics tools, a molecule analogous to PEPTIR-1.0 that maintains its three-dimensional structure but increases the hydrophobic interactions between it and Intimin, since these intermolecular forces are the predominant ones. The designed PEPTIR-2.0 peptide was immobilized on screen-printed electrodes modified with gold nanoparticles. The detection capacity of E. coli O157:H7 in water was evaluated using electrochemical impedance spectroscopy in the presence of other microorganisms, such as P. aeruginosa, S. aureus, and non-pathogenic E. coli. The results showed that PEPTIR-2.0 confers remarkable specificity to the biosensor towards detecting E. coli, even higher than PEPTIR-1.0. 相似文献
808.
Flvia A. R. dos Santos Jadriane A. Xavier Felipe C. da Silva J. P. Jose Merlin Marília O. F. Goulart H. P. Vasantha Rupasinghe 《Molecules (Basel, Switzerland)》2022,27(13)
The objective of this work was to investigate the antidiabetic, antiglycation, and antioxidant potentials of ethanolic extract of seeds of Brazilian Passiflora edulis fruits (PESE), a major by-product of the juice industry, and piceatannol (PIC), one of the main phytochemicals of PESE. PESE, PIC, and acarbose (ACB) exhibited IC50 for alpha-amylase, 32.1 ± 2.7, 85.4 ± 0.7, and 0.4 ± 0.1 µg/mL, respectively, and IC50 for alpha-glucosidase, 76.2 ± 1.9, 20.4 ± 7.6, and 252 ± 4.5 µg/mL, respectively. The IC50 of PESE, PIC, and sitagliptin (STG) for dipeptidyl-peptidase-4 (DPP-4) was 71.1 ± 2.6, 1137 ± 120, and 0.005 ± 0.001 µg/mL, respectively. PESE and PIC inhibited the formation of advanced glycation end-products (AGE) with IC50 of 366 ± 1.9 and 360 ± 9.1 µg/mL for the initial stage and 51.5 ± 1.4 and 67.4 ± 4.6 µg/mL for the intermediate stage of glycation, respectively. Additionally, PESE and PIC inhibited the formation of β-amyloid fibrils in vitro up to 100%. IC50 values for 1,1-diphenyl-2-picrylhydrazyl radical (DPPH•) scavenging activity of PESE and PIC were 20.4 ± 2.1, and 6.3 ± 1.3 µg/mL, respectively. IC50 values for scavenging hypochlorous acid (HOCl) were similar in PESE, PIC, and quercetin (QCT) with values of 1.7 ± 0.3, 1.2 ± 0.5, and 1.9 ± 0.3 µg/mL, respectively. PESE had no cytotoxicity to the human normal bronchial epithelial (BEAS-2B), and alpha mouse liver (AML-12) cells up to 100 and 50 µg/mL, respectively. However, 10 µg/mL of the extract was cytotoxic to non-malignant breast epithelial cells (MCF-10A). PESE and PIC were found to be capable of protecting cultured human cells from the oxidative stress caused by the carcinogen NNKOAc at 100 µM. The in vitro evidence of the inhibition of alpha-amylase, alpha-glucosidase, and DPP-4 enzymes as well as antioxidant and antiglycation activities, warrants further investigation of the antidiabetic potential of P. edulis seeds and PIC. 相似文献
809.
Debabrata Dhara Felipe Fantuzzi Marcel Hrterich Rian D. Dewhurst Ivo Krummenacher Merle Arrowsmith Conor Pranckevicius Holger Braunschweig 《Chemical science》2022,13(33):9693
We report the reduction of bulky ferrocenyl-based NHC-stabilised aluminium(iii) diiodide [Fc*(NHC)AlI2] (Fc* = 2,5-bis(3,5-di-tert-butylphenyl)-1-ferrocenyl) in different hydrocarbon solvents (hexane, benzene, toluene, and p-xylene), which results in different outcomes. Reduction in hexane with an equivalent amount of KC8 generates the diiododialane [(Fc*(NHC)AlI)2], whereas complete reduction in hexane leads to an unusual C–H activation at an N–Me group of one NHC unit. In contrast, reaction in aromatic solvents result in hitherto unknown Birch-type reductions of the corresponding solvent molecules by transient aluminium radicals of the type [LAlR2]˙, which is ultimately bound to two aluminium centers.A bulky ferrocenyl-based NHC-stabilised aluminium(iii) dihalide was reduced in different solvents, leading to vastly different outcomes, including formation of a rare example of a dialane and a novel dialuminyl analogue of the Birch reduction. 相似文献
810.
Sarahi Pacheco-Espinoza Alejandro I. Cuesta-Balderas Jorge Vázquez-Lujano Abril Rosiles-Aguilera María A. Hernández-Pérez Felipe Cervantes-Sodi Fei Chen Qiang Shen Rong Tu Jorge R. Vargas-García Lian-Meng Zhang 《Particle & Particle Systems Characterization》2023,40(4):2200167
The development of new strategies for synthesizing 1D cerium oxide (CeO2) hollow nanostructures has attracted much attention in recent years due to the importance of their superior properties and highly anisotropic geometry. This study reports an unpublished route of fabricating novel multiwalled CeO2-δ nanotubes (CeO2-δ NTs) in which the entire volume of functionalized multiwalled carbon nanotubes (f-MWCNTs) is converted into the CeO2-δ pseudomorph through oxidation and dehydration topotactic reactions. The stable CeO2-δ (111) planes are topotactically grown on the curved C (002) planes, preferentially exposed along the nanotube axis. In their initial condition, the novel nanotubes consist of Ce oxyhydroxide (CeO2-x(OH)x) with residual carbon. When heating the air up to 500 °C, CeO2-x(OH)x transforms gradually by dehydration into CeO2-δ, while the residual carbon is oxidized. Despite compositional changes, nanotubes maintain their multiwalled structural integrity up to ≈550 °C. The CeO2-δ NTs exhibit an unusually high presence of Ce3+ ions and surface O vacancies, contributing to a low direct band gap ranging from 2.67 to 2.32 eV compared to their NPs counterparts (3.2 eV). 相似文献