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21.
Nguyen Tuan Anh Nguyen Anh Tuan Nguyen Tuyet Nga Nguyen Anh Tue Giap Van Cuong 《Current Applied Physics》2014,14(10):1389-1395
Double-barrier magnetic tunnel junctions (DBMTJs) were prepared from Co(75 nm)/Al2O3(2.3 nm)/Co(5 nm)/Al2O3(2.3 nm)/Co(50 nm) sputtering pentalayer films. The ac electrical properties of as-deposited DBMTJs and those annealed in a vacuum at 100–350 °C for 30 min were then investigated using a complex impedance spectroscopic technique. The ac impedance responses as a function of annealing temperature were further analyzed based on Maxwell's layered dielectric barrier and Maxwell–Wagner capacitor models after considering the DBMTJs as having double-capacitor-type structures. The effect of thermal annealing on the ac transport behavior of the DBMTJs was interpreted by examining the equivalent electric circuits fitted to Nyquist plots of each different sample. The effects were found to be due to changes in the structural characteristics in both bulk and interface morphologies of Co and Al2O3 layers. The structural morphology determined the different ac transport modes that occurred in the DBMTJs. 相似文献
22.
Thi Nga Le Jean Christophe Poully Frédéric Lecomte Nicolas Nieuwjaer Bruno Manil Charles Desfrançois Fabien Chirot Jerome Lemoine Philippe Dugourd Guillaume van der Rest Gilles Grégoire 《Journal of the American Society for Mass Spectrometry》2013,24(12):1937-1949
The gas-phase structures of doubly and triply protonated Amyloid-β12-28 peptides have been investigated through the combination of ion mobility (IM), electron capture dissociation (ECD) mass spectrometry, and infrared multi-photon dissociation (IRMPD) spectroscopy together with theoretical modeling. Replica-exchange molecular dynamics simulations were conducted to explore the conformational space of these protonated peptides, from which several classes of structures were found. Among the low-lying conformers, those with predicted diffusion cross-sections consistent with the ion mobility experiment were further selected and their IR spectra simulated using a hybrid quantum mechanical/semiempirical method at the ONIOM DFT/B3LYP/6-31 g(d)/AM1 level. In ECD mass spectrometry, the c/z product ion abundance (PIA) has been analyzed for the two charge states and revealed drastic differences. For the doubly protonated species, N – Cα bond cleavage occurs only on the N and C terminal parts, while a periodic distribution of PIA is clearly observed for the triply charged peptides. These PIA distributions have been rationalized by comparison with the inverse of the distances from the protonated sites to the carbonyl oxygens for the conformations suggested from IR and IM experiments. Structural assignment for the amyloid peptide is then made possible by the combination of these three experimental techniques that provide complementary information on the possible secondary structure adopted by peptides. Although globular conformations are favored for the doubly protonated peptide, incrementing the charge state leads to a conformational transition towards extended structures with 310- and α-helix motifs. 相似文献
23.
Sylvain Valère T. Sob Hippolyte K. Wabo Bonaventure T. Ngadjui Dawei Ma 《Tetrahedron》2008,64(34):7999-8002
A new xanthone, 1,8-dihydroxy-3-methoxy-6-methylxantone and a new polyketide derivative, (4R∗,5S∗,6E,8Z)-ethyl-4-((E)-but-1-enyl)-5-hydroxypentdeca-6,8-dienoate, together with 20 known secondary metabolites, including 2 steroids, 4 xanthones, 10 anthraquinones, 2 triterpenoids, 1 fatty ester, and (E)-eicos-14-enoic acid, were isolated from the leaves of Cassia obtusifolia. To the best of our knowledge, the last compound was isolated from a natural source for the first time. The structures of all the compounds were elucidated on the basis of 1D and 2D NMR experiments. Some of the compounds were tested against Salmonella typhi, Staphylococcus aureus, Candida albicans ATCC 9002, and Candida tropicalis, they did not show any activity. 相似文献
24.
Wabo HK Kouam SF Krohn K Hussain H Tala MF Tane P Ree Tv Hu Q Schulz B 《Chemical & pharmaceutical bulletin》2007,55(11):1640-1642
Two new prenylated anthraquinones, laurenquinone A (1) and B (2) were isolated from the seeds of Vismia laurentii together with four known compounds; xanthone V(1) (3), physcion (4), 3-geranyloxyemodin anthrone (5) and friedelin (6). The structures of the new metabolites were determined with the help of spectroscopic data including extensive 2D-NMR spectroscopy. The known compounds were identified by comparison of their physical and spectroscopic data with those reported in the literature. Compounds 1, 4 and 5 exhibited moderate algicidal activity against Chlorella fusca and 3 showed moderate activity against the gram-positive bacterium Bacillus megaterium. 相似文献
25.
Szmigielski R Surratt JD Vermeylen R Szmigielska K Kroll JH Ng NL Murphy SM Sorooshian A Seinfeld JH Claeys M 《Journal of mass spectrometry : JMS》2007,42(1):101-116
In the present work, we have characterized in detail the chemical structures of secondary organic aerosol (SOA) components that were generated in a smog chamber and result from the photooxidation of isoprene under high-NO(x) conditions typical for a polluted atmosphere. Isoprene high-NO(x) SOA contains 2-methylglyceric acid (2-MG) and oligoester derivatives thereof. Trimethylsilylation, in combination with capillary gas chromatography (GC)/ion trap mass spectrometry (MS) and detailed interpretation of the MS data, allowed structural characterization the polar oxygenated compounds present in isoprene SOA up to 2-MG trimers. GC separation was achieved between 2-MG linear and branched dimers or trimers, as well as between the 2-MG linear dimer and isomeric mono-acetate derivatives thereof. The electron ionization (EI) spectra of the trimethylsilyl derivatives contain a wealth of structural information, including information about the molecular weight (MW), oligoester linkages, terminal carboxylic and hydroxymethyl groups, and esterification sites. Only part of this information can be achieved with a soft ionization technique such as electrospray (ESI) in combination with collision-induced dissociation (CID). The methane chemical ionization (CI) data were used to obtain supporting MW information. Interesting EI spectral differences were observed between the trimethylsilyl derivatives of 2-MG linear and branched dimers or trimers and between 2-MG linear dimer mono-acetate isomers. 相似文献
26.
In order to determine energetic disorder's role in facilitating charge injection from gold into a molecularly doped polymer, we have examined the dependence of current on the local electric field, measured using electric force microscopy, at temperatures ranging from 250 to 330 K. From these data we infer, in a single experiment, the temperature dependence of the main factors governing the injection current: the electric-field induced lowering of the image-potential barrier, the interfacial charge density, and the mobility. In this system, the Schottky effect is anomolously large, and the interfacial charge density is larger than expected and strikingly non-Arhennius. Our analysis indicates that these effects are all a consequence of the Gaussian density of states in the organic. 相似文献
27.
Nga H. Nguyen Virgil Percec 《Journal of polymer science. Part A, Polymer chemistry》2011,49(19):4241-4252
Here we reported the acid dissolution of copper oxides as a methodology for the activation of Cu(0) wire used as catalyst in single‐electron transfer living radical polymerization (SET‐LRP). In this method, the oxide layer on the surface of commercial Cu(0) wire was removed by dissolution in a concentrated acid such as nitric acid, glacial acetic acid and hydrochloric acid. SET‐LRP of methyl acrylate catalyzed with Cu(0) wire activated with acids showed comparable k value to that of the nonactivated Cu(0) wire‐catalyzed counterpart. However, the polymerizations catalyzed with activated Cu(0) wire proceeded with no initial induction period, predictable molecular weight evolution with conversion, and narrow molecular weight distribution. Regardless of the activation method, the chain end functionality of α,ω‐di(bromo) poly(methyl acrylate) (PMA) prepared from SET‐LRP initiated with a bifunctional initiator is extremely high, maintaining a 100% chain end functionality at ~90% monomer conversion. The degree of bimolecular termination increased as the polymerization exceeds 92% conversion. However, for binfunctional initiators this small amount of bimolecular termination at high conversion maintains a perfectly bifunctional polymer. Structural analysis by MALDI‐TOF upon thioetherification of α,ω‐di(bromo) PMA with thiophenol and 4‐fluorothiophenol confirmed the high fidelity of bromide chain ends. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011 相似文献
28.
Alice Capecchi Xingguang Cai Hippolyte Personne Thilo Khler Christian van Delden Jean-Louis Reymond 《Chemical science》2021,12(26):9221
Machine learning (ML) consists of the recognition of patterns from training data and offers the opportunity to exploit large structure–activity databases for drug design. In the area of peptide drugs, ML is mostly being tested to design antimicrobial peptides (AMPs), a class of biomolecules potentially useful to fight multidrug-resistant bacteria. ML models have successfully identified membrane disruptive amphiphilic AMPs, however mostly without addressing the associated toxicity to human red blood cells. Here we trained recurrent neural networks (RNN) with data from DBAASP (Database of Antimicrobial Activity and Structure of Peptides) to design short non-hemolytic AMPs. Synthesis and testing of 28 generated peptides, each at least 5 mutations away from training data, allowed us to identify eight new non-hemolytic AMPs against Pseudomonas aeruginosa, Acinetobacter baumannii, and methicillin-resistant Staphylococcus aureus (MRSA). These results show that machine learning (ML) can be used to design new non-hemolytic AMPs.Machine learning models trained with experimental data for antimicrobial activity and hemolysis are shown to produce new non-hemolytic antimicrobial peptides active against multidrug-resistant bacteria. 相似文献
29.
Ikechi Augustine Ukaegbu M. Rakib Uddin Jamshid Sangirov Nga T. H. Nguyen Tae-Woo Lee Mu Hee Cho Hyo-Hoon Park 《Optical and Quantum Electronics》2017,49(8):277
This paper presents thermal analysis on crosstalk and performance of optoelectronic transmitter modules and also demonstrates the thermal analysis for efficient heat dissipation for the transmitter modules. The thermal crosstalk model for analysis is based on interconnects parameters for vertically stacked and horizontally packaged optoelectronic transmitter modules. While the analytical expression is used to estimate the thermal critical frequency, f crit_th , above which signals become severely deteriorated, a Teflon-based thermal printed circuit board (PCB) has been designed for packaging the optoelectronic transmitter modules to ensure efficient heat dissipation. The thermal and performance analysis of the packaged modules show that the chips operate at temperatures below the f crit_th , which is apt for reliable data and signal transmission. 相似文献
30.
Wan-Fei Li Zheng-Ming Liang Chen-Liang Zhao Nga Yi Tsang Ji-Xin Li Ya-Hua Liu Kang He Lu-Tai Pan Lijun Rong Juan Zou Hong-Jie Zhang 《Molecules (Basel, Switzerland)》2022,27(10)
Three isopimarane diterpenes [fladins B (1), C (2), and D (3)] were isolated from the twigs and leaves of Chinese folk medicine, Isodon flavidus. The chemical structures were determined by the analysis of the comprehensive spectroscopic data, and the absolute configuration was confirmed by X-ray crystallographic analysis. The structures of 1–3 were formed from isopimaranes through the rearrangement of ring A by the bond break at C-3 and C-4 to form a new δ-lactone ring system between C-3 and C-9. This structure type represents the first discovery of a natural isopimarane diterpene with an unusual lactone moiety at C-9 and C-10. In the crystal of 1, molecules are linked to each other by intermolecular O-H···O bonds, forming chains along the b axis. Compounds 1–3 were evaluated for their bioactivities against different diseases. None of these compounds displayed cytotoxic activities against HCT116 and A549 cancer cell lines, antifungal activities against Trichophyton rubrum and T. mentagrophytes, or antiviral activities against HIV entry at 20 µg/mL (62.9–66.7) µM. Compounds 1 and 3 did not show antiviral activities against Ebola entry at 20 µg/mL either; only 2 was found to show an 81% inhibitory effect against Ebola entry activity at 20 µg/mL (66.7 µM). The bioactivity evidence suggested that this type of compound could be a valuable antiviral lead for further structure modification to improve the antiviral potential. 相似文献