全文获取类型
收费全文 | 416篇 |
免费 | 9篇 |
国内免费 | 6篇 |
专业分类
化学 | 267篇 |
晶体学 | 3篇 |
力学 | 5篇 |
综合类 | 1篇 |
数学 | 69篇 |
物理学 | 86篇 |
出版年
2023年 | 2篇 |
2022年 | 31篇 |
2021年 | 26篇 |
2020年 | 13篇 |
2019年 | 14篇 |
2018年 | 9篇 |
2017年 | 9篇 |
2016年 | 15篇 |
2015年 | 11篇 |
2014年 | 13篇 |
2013年 | 48篇 |
2012年 | 20篇 |
2011年 | 15篇 |
2010年 | 16篇 |
2009年 | 11篇 |
2008年 | 18篇 |
2007年 | 19篇 |
2006年 | 22篇 |
2005年 | 16篇 |
2004年 | 11篇 |
2003年 | 5篇 |
2002年 | 13篇 |
2001年 | 10篇 |
2000年 | 6篇 |
1999年 | 2篇 |
1998年 | 2篇 |
1997年 | 3篇 |
1996年 | 4篇 |
1994年 | 2篇 |
1992年 | 2篇 |
1991年 | 3篇 |
1990年 | 1篇 |
1989年 | 1篇 |
1988年 | 2篇 |
1987年 | 2篇 |
1986年 | 2篇 |
1985年 | 1篇 |
1984年 | 3篇 |
1982年 | 2篇 |
1981年 | 4篇 |
1980年 | 2篇 |
1979年 | 3篇 |
1977年 | 2篇 |
1976年 | 4篇 |
1974年 | 1篇 |
1973年 | 1篇 |
1970年 | 1篇 |
1969年 | 1篇 |
1968年 | 2篇 |
1966年 | 2篇 |
排序方式: 共有431条查询结果,搜索用时 31 毫秒
321.
Miray Turk Ozge Tatli Hamza Furkan Alkan Pelin Ozfiliz Kilbas Gizem Alkurt Gizem Dinler Doganay 《Molecules (Basel, Switzerland)》2021,26(4)
Expression levels of the major mammalian autophagy regulator Beclin 1 and its interaction with Bcl-2 regulate the switch between autophagic cell survival and apoptotic cell death pathways. However, some of the regulators and the precise mechanisms of these processes still remain elusive. Bag-1 (Bcl-2 associated athanogene-1), a member of BAG family proteins, is a multifunctional pro-survival molecule that possesses critical functions in vital cellular pathways. Herein, we report the role of Bag-1 on Bcl-2/Beclin 1 crosstalk through indirectly interacting with Beclin 1. Pull-down experiments suggested a molecular interaction between Bag-1 and Beclin 1 in breast cancer cell lines. On the other hand, in vitro binding assays showed that Bag-1/Beclin 1 interaction does not occur directly but occurs through a mediator molecule. Bag-1 interaction with p-Beclin 1 (T119), indicator of early autophagy, is increased during nutrient starvation suggesting involvement of Bag-1 in the autophagic regulation. Furthermore, CRISPR/Cas9-mediated Bag-1 knock-out in MCF-7 cells hampered cell survival and proliferation and resulted in decreased levels of total LC3 under starvation. Collectively, we suggest that Bag-1 modulates cell survival/death decision through maintaining macroautophagy as a component of Beclin 1-associated complexes. 相似文献
322.
AbdulHameed MD Hamza A Liu J Huang X Zhan CG 《Journal of chemical information and modeling》2008,48(1):179-185
The detailed structures of microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors have been studied, for the first time, by using a newly developed computational three-dimensional (3D) structural model of mPGES-1 along with a 3D-quantitative structure--activity relationship (3D-QSAR) analysis. The obtained satisfactory binding structures and 3D-QSAR models strongly suggest that the 3D structural model of mPGES-1 is reasonable for study of mPGES-1 binding with inhibitors and for future design of novel mPGES-1 inhibitors. 相似文献
323.
Badawi HM Förner W 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2008,71(2):388-397
The conformational stability of 2,2,3,3,3-pentafluoro-1-propanol was investigated by the DFT-B3LYP/6-311+G** and the ab initio MP2/6-311+G** calculations. The calculated potential energy curves of 2,2,3,3,3-pentafluoro-1-propanol at both levels of theory were consistent with three distinct minima that correspond to Trans-gauche-gauche (Tgg), trans-trans-gauche (Ttg) and trans-gauche-gauche(-) (Tgg1) conformers in the order of decreasing relative stability. The equilibrium constants for the conformational interconversion of 2,2,3,3,3-pentafluoro-1-propanol were calculated and found to correspond to an equilibrium mixture of about 46% Tgg, 43% Ttg and 11% Tgg1 conformations at 298.15K. The calculated (%Ttg/%Tgg) ratio of 0.93 is consistent with the 0.85 ratio of the observed intensities of the 772 and 794 cm(-1) lines in the Raman spectrum of the liquid. The nature of the high energy Ttg conformation was verified by solvent experiments using formamide (epsilon = 109.5) and acetonitrile (epsilon = 37). The vibrational frequencies of the molecule in its stable forms were computed at B3LYP level and complete vibrational assignments were made based on normal coordinate calculations and comparison with experimental data of the molecule. 相似文献
324.
Badawi HM Al-Saadi AA Al-Khaldi MA Al-Abbad SA Al-Sunaidi ZH 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2008,71(4):1540-1546
The structural stability and internal rotations in cyclopropanecarboxylic acid and cyclopropanecarboxamide were investigated by the DFT-B3LYP and the ab initio MP2 calculations using 6-311G** and 6-311+G** basis sets. The computations were extended to the MP4//MP2/6-311G** and CCSD(T)//MP2/6-311G** single-point calculations. From the calculations the molecules were predicted to exist predominantly in the cis (C=O group eclipses the cyclopropane ring) with a cis-trans barrier of about 4-6kcal/mol. The OCOH torsional barrier in the acid was estimated to be about 12-13kcal/mol while the corresponding OCNH torsional barrier in the amide was calculated to be about 20kcal/mol. The equilibrium constant k for the cis<-->trans interconversion in cyclopropanecarboxylic acid was calculated to be 0.1729 at 298.15K that corresponds to an equilibrium mixture of about 85% cis and 15% trans. The vibrational frequencies were computed at the DFT-B3LYP level. Normal coordinate calculations were carried out and potential energy distributions were calculated for the low energy cis conformer of the molecules. Complete vibrational assignments were made on the basis of normal coordinate calculations and comparison with experimental data of the molecules. 相似文献
325.
Rida M El Meslouhi H Es-Safi NE Essassi el M Banoub J 《Rapid communications in mass spectrometry : RCM》2008,22(14):2253-2268
The fragmentation patterns of a series of three novel synthesized 3-hydroxy-4-phenyl-tetrahydro-1,5-benzodiazepin-2-ones (1-3), possessing the same backbone structure, were investigated using electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (MS/MS) techniques. A simple methodology, based on the use of ESI (positive ion mode) and by increasing the declustering potential in the atmospheric pressure/vacuum interface, collision-induced dissociation (CID), was used to enhance the formation of the fragment ions. In general, the novel synthetic 1,5-benzodiazepine derivatives afforded, in the gas phase, both protonated and sodiated molecules. This led to the confirmation of the molecular masses and chemical structures of the studied compounds. Exact accurate masses were measured using a high-resolution ESI-quadrupole orthogonal time-of-flight (QqToF)-MS/MS hybrid mass spectrometer instrument.The breakdown routes of the protonated molecules were rationalized by conducting low-energy collision CID-MS/MS analyses (product ion- and precursor ion scans) using a conventional quadrupole-hexapole-quadrupole (QhQ) tandem mass spectrometer. All the observed major fragmentations for the 1,5-benzodiazepines occurred in the saturated seven-membered ring containing the nitrogen atoms. These formed a multitude of product ions by different breakdown routes. All the major fragmentations involved cleavages of the N-1-C-2 and C-3-C-4 bonds. These occurred with concomitant eliminations of glyoxal, benzene and ethyl formate, forming the product ion at m/z 119, which was observed in all the studied compounds. In addition, an unique simultaneous CID-MS/MS fragmentation was noticed for the 1,5-benzodiazepines 1 and 3, which occurred by a pathway dictated by the substituent located on the N-1-position. It was evident that the aromatic ring portion of the 1,5-benzodiazepines was resistant to CID-MS/MS fragmentation. Re-confirmation of the various geneses of the product ions was achieved by conducting a series of precursor ion scans. ESI-MS and CID-MS/MS analyses have thus proven to be a specific and very sensitive method for the structural identification of these novel 1,5-benzodiazepine derivatives. 相似文献
326.
Hamza Bayad Ahmed El Manouni Bernabé Marí Yousaf H. Khattak Shafi Ullah Faisal Baig 《Optical and Quantum Electronics》2018,50(6):259
In order to improve photovoltaic performance of solar cells based on ZnTe thin films two device structures have been proposed and its photovoltaic parameters have been numerically simulated using Solar Cell Capacitance Simulator software. The first one is the ZnO/CdS/ZnTe conventional structure and the second one is the ZnO/CdS/ZnTe/P+-ZnTe structure with a P+-ZnTe layer inserted at the back surface of ZnTe active layer to produce a back surface field effect which could reduce back carrier recombination and thus increase the photovoltaic conversion efficiency of cells. The effect of ZnO, CdS and ZnTe layer thicknesses and the P+-ZnTe added layer and its thickness have been optimized for producing maximum working parameters such as: open-circuit voltage Voc, short-circuit current density Jsc, fill factor FF, photovoltaic conversion efficiency η. The solar cell with ZnTe/P+-ZnTe junction showed remarkably higher conversion efficiency over the conventional solar cell based on ZnTe layer and the conversion efficiency of the ZnO/CdS/ZnTe/P+-ZnTe solar cell was found to be dependent on ZnTe and P+-ZnTe layer thicknesses. The optimization of ZnTe, CdS and ZnTe layers and the inserting of P+-ZnTe back surface layer results in an enhancement of the energy conversion efficiency since its maximum has increased from 10% for ZnO, CdS and ZnTe layer thicknesses of 0.05, 0.08 and 2 µm, respectively to 13.37% when ZnO, CdS, ZnTe and P+-ZnTe layer thicknesses are closed to 0.03, 0.03, 0.5 and 0.1 µm, respectively. Furthermore, the highest calculated output parameters have been Jsc?=?9.35 mA/cm2, Voc?=?1.81 V, η?=?13.37% and FF?=?79.05% achieved with ZnO, CdS, ZnTe, and P+-ZnTe layer thicknesses about 0.03, 0.03, 0.5 and 0.1 µm, respectively. Finally, the spectral response in the long-wavelength region for ZnO/CdS/ZnTe solar cells has decreased at the increase of back surface recombination velocity. However, it has exhibited a red shift and showed no dependence of back surface recombination velocity for ZnO/CdS/ZnTe/P?+?-ZnTe solar cells. 相似文献
327.
For sinusoidal beams, minimization of scintillation index is carried out against the displacements parameters. It is found that x-y asymmetric cosh-Gaussian beam fulfills the requirements of such optimum beam. Our minimization procedure reveals that the optimum beam is achieved by continually focusing it at the chosen propagation length and by further adjusting displacements parameters to be propagation distance dependent. Scintillation index of thus constructed optimum beam is formulated and numerically evaluated. Our graphical comparisons entailing collimated and focused versions of cos-, cosh-Gaussian, annular-Gaussian and Gaussian beams show that the optimum beam yields the lowest scintillations provided that propagation range is less than or equal to the focusing distance. 相似文献
328.
Hamza Mechchate Aicha El Allam Nasreddine El Omari Naoufal El Hachlafi Mohammad Ali Shariati Polrat Wilairatana Mohammad S. Mubarak Abdelhakim Bouyahya 《Molecules (Basel, Switzerland)》2022,27(7)
Aging is a continuous process over time that is mainly related to natural alterations in mechanical–biological processes. This phenomenon is due to several factors, including the time and energy of biological processes. Aging can be attributed to biological factors such as oxidative stress, cell longevity, and stem cell senescence. Currently, aging is associated with several diseases, such as neurodegenerative diseases, cancer, and other diseases related to oxidative stress. In addition, certain natural molecules, including those derived from vegetables, have shown the ability to delay the aging process. Their effects are linked to different mechanisms of action, such as tissue regeneration and the activation of longevity and anti-senescence genes. The present work discusses the impact of vegetables, and bioactive compounds isolated from vegetables, against the physiological and pathological aging process and accompanying human diseases. 相似文献
329.
Ahmed M. Farghaly Ola H. Rizk Inas Darwish Manal Hamza Mezna Saleh Altowyan Assem Barakat Mohamed Teleb 《Molecules (Basel, Switzerland)》2022,27(7)
Some new pyrimidine derivatives comprising arylsulfonylhydrazino, ethoxycarbonylhydrazino, thiocarbamoylhydrazino and substituted hydrazone and thiosemicarbazide functionalities were prepared from Biginelli-derived pyrimidine precursors. Heterocyclic ring systems such as pyrazole, pyrazolidinedione, thiazoline and thiazolidinone ring systems were also incorporated into the designed pyrimidine core. Furthermore, fused triazolopyrimidine and pyrimidotriazine ring systems were prepared. The synthesized compounds were evaluated for their calcium channel blocking activity as potential hypotensive agents. Compounds 2, 3a, 3b, 4, 11 and 13 showed the highest ex vivo calcium channel blocking activities compared with the reference drug nifedipine. Compounds 2 and 11 were selected for further biological evaluation. They revealed good hypotensive activities following intravenous administration in dogs. Furthermore, 2 and 11 displayed drug-like in silico ADME parameters. A ligand-based pharmacophore model was developed to provide adequate information about the binding mode of the newly synthesized active compounds 2, 3a, 3b, 4, 11 and 13. This may also serve as a reliable basis for designing new active pyrimidine-based calcium channel blockers. 相似文献
330.
Hamza Ferkous Kaouther Kerboua Oualid Hamdaoui Naoufel Haddour Abdulaziz Alghyamah 《Molecules (Basel, Switzerland)》2021,26(18)
In this paper, the degradation of the diazo dye naphthol blue black (NBB) using the Galvano-Fenton process is studied experimentally and numerically. The simulations are carried out based on the anodic, cathodic, and 34 elementary reactions evolving in the electrolyte, in addition to the oxidative attack of NBB by at a constant rate of during the initiation stage of the chain reactions. The selection of the operating conditions including the pH of the electrolyte, the stirring speed, and the electrodes disposition is performed by assessing the kinetics of NBB degradation; these parameters are set to 3, 350 rpm and a parallel disposition with a 3 cm inter-electrode distance, respectively. The kinetics of in the electrolyte were monitored using the principles of Fricke dosimetry and simulated numerically. The model showed more than a 96% correlation with the experimental results in both the blank test and the presence of the dye. The effects of and concentrations on the degradation of the dye were examined jointly with the evolution of the simulated , , and concentrations in the electrolyte. The model demonstrated a good correlation with the experimental results in terms of the initial degradation rates, with correlation coefficients exceeding 98%. 相似文献