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11.
The transformation of SiO2 from low pressure tetrahedral phases into denser octahedral phases takes place via the collapse of the oxygen sublattice into a close-packed arrangement. The transition paths and the resulting products are known to be affected by the presence of anisotropic stresses, which are difficult to control, so interpretation of the experimental results is problematic. Based on nonhydrostatic molecular dynamics simulations, we show that the collapse of the oxygen sublattice in the specific case of cristobalite is concomitant with the disappearance of tetrahedral units and that non hydrostatic stresses can be tuned to yield phases with different oxygen close-packed sublattices, including the alpha-PbO2-like phase, for which we provide a microscopic formation path, and phases with a cubic close packing, like anatase, not seen in experiments yet. 相似文献
12.
Formulation of Aluminum Chloride Phthalocyanine in Pluronic™ P‐123 and F‐127 Block Copolymer Micelles: Photophysical properties and Photodynamic Inactivation of Microorganisms
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Bruno Henrique Vilsinski Adriana Passarella Gerola Junior Adalberto Enumo Katieli da Silva Souza Campanholi Paulo Cesar de Souza Pereira Gustavo Braga Noboru Hioka Elza Kimura André Luiz Tessaro Wilker Caetano 《Photochemistry and photobiology》2015,91(3):518-525
Aluminum Chloride Phthalocyanine (AlPcCl) can be used as a photosensitizer (PS) for Photodynamic Inactivation of Microorganisms (PDI). The AlPcCl showed favorable characteristics for PDI due to high quantum yield of singlet oxygen (ΦΔ) and photostability. Physicochemical properties and photodynamic inactivation of AlPcCl incorporated in polymeric micelles of tri‐block copolymer (P‐123 and F‐127) against microorganisms Staphylococcus aureus, Escherichia coli and Candida albicans were investigated in this work. Previously, it was observed that the AlPcCl undergoes self‐aggregation in F‐127, while in P‐123 the PS is in a monomeric form suitable for PDI. Due to the self‐aggregation of AlPcCl in F‐127, this formulation did not show any effect on these microorganisms. On the other hand, AlPcCl formulated in P‐123 was effective against S. aureus and C. albicans and the death of microorganisms was dependent on the PS concentration and illumination time. Additionally, it was found that the values of PS concentration and illumination time to eradicate 90% of the initial population of microorganisms (IC90 and D90, respectively) were small for the AlPcCl in P‐123, showing the effectiveness of this formulation for PDI. 相似文献
13.
Manuel Caetano Leonardo Padrino T Hector Gutiérrez Alberto J. Fernández Jimmy Castillo 《Mikrochimica acta》1998,128(3-4):169-175
Trace level vanadium determination is reported using a dual beam thermal lens spectrometer. The thermal lens was generated using an argon ion beam laser (pump beam) which was focused into a sample cuvette. The thermal lens signal (TLs) was monitored with a He-Ne laser beam and a photodiode detector. Multichannel averager software was developed for processing the transient TLs. The optimal set up, ensuring maximum sensitivity and linear calibration graphs was obtained using experimental design techniques. Under optimized conditions, the detection limits for aqueous and ethanol-water (2+3 v/v) and (4+1 v/v) vanadium complex solutions were, respectively, 0.0071 mg/l, 0.0065 and 0.0039 mg/l. 相似文献
14.
B. N. Sismanoglu K. G. Grigorov R. A. Santos R. Caetano M. V.O. Rezende Y. D. Hoyer V. W. Ribas 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2010,60(3):479-487
Linear Stark splitting of the H\(_{\beta}\) Balmer line components and spatially resolved optical emission spectroscopy (OES) measurements were used to estimate the electric field gradient in the cathode sheath region (~70 μm long) of an atmospheric pressure direct current argonflow-stabilized microplasma jet. Also, plasma parameters in the negative glow region were investigated by both OES and electrical diagnostics. The microplasma jet was operated for current ranging from 10 to 110 mA. OH (A2 \({\rm\Sigma}^+\), v = 0 \(\to\) X 2 \({\rm\Pi}\), v’ = 0) rotational bands at 306.357 nm and also the Ar 603.213 nm line were used to determine the gas temperature, which ranges from 600 to 1000 K. Electron number density, ranging from4.1 × 1014 to 8.5 × 1014 cm-3, was determined through analysis of the H\(_{\beta}\) line.Electron excitation temperature was also measured from the ratio of two Mo lines (8500–18?000 K) and from Boltzmann-plot of Ar 4p–4s and 5p–4s transitions (11?000–13?500 K). 相似文献
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The leading asymptotic term for the function that counts theeigenvalues of the Stokes operator is determined for fairlygeneral underlying bounded domains. Moreover, the remainderis estimated in terms of the fractality of the boundary of thedomain. The results obtained resemble corresponding ones forthe Dirichlet Laplacian. 1991 Mathematics Subject Classification:35P20. 相似文献
18.
Caetano P. Sabino Martha S. Ribeiro Mark Wainwright Carolina dos Anjos Fábio P. Sellera Milena Dropa Nathalia B. Nunes Guilherme T. P. Brancini Gilberto U. L. Braga Victor E. Arana-Chavez Raul O. Freitas Nilton Lincopan Maurício S. Baptista 《Photochemistry and photobiology》2023,99(2):742-750
The unbridled dissemination of multidrug-resistant pathogens is a major threat to global health and urgently demands novel therapeutic alternatives. Antimicrobial photodynamic therapy (aPDT) has been developed as a promising approach to treat localized infections regardless of drug resistance profile or taxonomy. Even though this technique has been known for more than a century, discussions and speculations regarding the biochemical mechanisms of microbial inactivation have never reached a consensus on what is the primary cause of cell death. Since photochemically generated oxidants promote ubiquitous reactions with various biomolecules, researchers simply assumed that all cellular structures are equally damaged. In this study, biochemical, molecular, biological and advanced microscopy techniques were employed to investigate whether protein, membrane or DNA damage correlates better with dose-dependent microbial inactivation kinetics. We showed that although mild membrane permeabilization and late DNA damage occur, no correlation with inactivation kinetics was found. On the other hand, protein degradation was analyzed by three different methods and showed a dose-dependent trend that matches microbial inactivation kinetics. Our results provide a deeper mechanistic understanding of aPDT that can guide the scientific community toward the development of optimized photosensitizing drugs and also rationally propose synergistic combinations with antimicrobial chemotherapy. 相似文献
19.
Caetano EW Freire VN Dos Santos SG Galvão DS Sato F 《The Journal of chemical physics》2008,128(16):164719
Results of classical force field geometry optimizations for twisted graphene nanoribbons with a number of twists N(t) varying from 0 to 7 (the case N(t)=1 corresponds to a half-twist M?bius nanoribbon) are presented in this work. Their structural stability was investigated using the Brenner reactive force field. The best classical molecular geometries were used as input for semiempirical calculations, from which the electronic properties (energy levels, HOMO, LUMO orbitals) were computed for each structure. CI wavefunctions were also calculated in the complete active space framework taking into account eigenstates from HOMO-4 to LUMO+4, as well as the oscillator strengths corresponding to the first optical transitions in the UV-VIS range. The lowest energy molecules were found less symmetric than initial configurations, and the HOMO-LUMO energy gaps are larger than the value found for the nanographene used to build them due to electronic localization effects created by the twisting. A high number of twists leads to a sharp increase of the HOMO-->LUMO transition energy. We suggest that some twisted nanoribbons could form crystals stabilized by dipolar interactions. 相似文献
20.
Caetano W Haddad PS Itri R Severino D Vieira VC Baptista MS Schröder AP Marques CM 《Langmuir : the ACS journal of surfaces and colloids》2007,23(3):1307-1314
We study the photodecomposition of phospholipid bilayers in aqueous solutions of methylene blue. Observation of giant unilamellar vesicles under an optical microscope reveals a consistent pattern of membrane disruption as a function of methylene blue concentration and photon density for different substrates supporting the vesicles. 相似文献