非占有の

WordNet

not seized and controlled; "unoccupied areas of France"
not leased to or occupied by a tenant; "an unoccupied apartment"; "very little unclaimed and untenanted land" (同)untenanted
not held or filled or in use; "an unoccupied telephone booth"; "unoccupied hours"

PrepTutorEJDIC

(家・敷地などが)占有されていない,人の住んでない / (人が)暇な,ぶらぶらしている / (領土などが)占領されていない

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1. 心膜疾患における奇脈 pulsus paradoxus in pericardial disease
2. 甲状腺機能正常型高サイロキシン血症および低サイロキシン血症 euthyroid hyperthyroxinemia and hypothyroxinemia
3. 頭蓋顔面痛の概要 overview of craniofacial pain
4. 救急外来における呼吸困難の成人の評価 evaluation of the adult with dyspnea in the emergency department
5. Building-related illness and building-related symptoms

English Journal

Structural, spectroscopic aspects, and electronic properties of (TiO2 )n clusters: A study based on the use of natural algorithms in association with quantum chemical methods.

Ganguly Neogi S, Chaudhury P.Author information Department of Chemistry, University of Calcutta, 92, A.P.C. Road, Kolkata, 700 009, India.AbstractIn this article, we propose a stochastic search-based method, namely genetic algorithm (GA) and simulated annealing (SA) in conjunction with density functional theory (DFT) to evaluate global and local minimum structures of (TiO2 )n clusters with n = 1-12. Once the structures are established, we evaluate the infrared spectroscopic modes, cluster formation energy, vertical excitation energy, vertical ionization potential, vertical electron affinity, highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps, and so forth. We show that an initial determination of structure using stochastic techniques (GA/SA), also popularly known as natural algorithms as their working principle mimics certain natural processes, and following it up with density functional calculations lead to high-quality structures for these systems. We have shown that the clusters tend to form three-dimensional networks. We compare our results with the available experimental and theoretical results. The results obtained from SA/GA-DFT technique agree well with available theoretical and experimental data of literature. © 2013 Wiley Periodicals, Inc.
Journal of computational chemistry.J Comput Chem.2014 Jan 5;35(1):51-61. doi: 10.1002/jcc.23465. Epub 2013 Oct 29.
In this article, we propose a stochastic search-based method, namely genetic algorithm (GA) and simulated annealing (SA) in conjunction with density functional theory (DFT) to evaluate global and local minimum structures of (TiO2 )n clusters with n = 1-12. Once the structures are established, we eva
PMID 24272539

Novel fluorescent 1,8-naphthalimide derivatives containing thiophene and pyrazole moieties: synthesis by direct C-H arylation and evaluation of photophysical and electrochemical properties.

Jin Z, Wu J, Wang C, Dai G, Liu S, Lu J, Jiang H.Author information Department of Pharmaceutics and Chemical Engineering, Taizhou University, Taizhou, Zhejiang 318000, PR China. Electronic address: zn_jin@tzc.edu.cn.AbstractA series of novel 1,8-naphthalimide derivatives containing thiophene and pyrazole moities were synthesized by direct Pd-catalyzed C-H arylation and then characterized by (1)H NMR, (13)C NMR, MALDI-HRMS, and elementary analysis. The photophysical and electrochemical properties of the derivatives were also investigated. All compounds have green emission both in diluted CH2Cl2 solution and solid film. The cyclic voltammetry (CV) measurements showed that the target compounds had a lowest unoccupied molecular orbital (LUMO) range from -3.49 eV to -3.29 eV and a highest occupied molecular orbital (HOMO) range from -6.04 eV to -5.81 eV. Quantum chemical calculations were performed to obtain the optimized ground-state geometry as well as the spatial distributions of the HOMO, LUMO levels of the compounds.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.Spectrochim Acta A Mol Biomol Spectrosc.2014 Jan 3;117:527-34. doi: 10.1016/j.saa.2013.07.073. Epub 2013 Aug 8.
A series of novel 1,8-naphthalimide derivatives containing thiophene and pyrazole moities were synthesized by direct Pd-catalyzed C-H arylation and then characterized by (1)H NMR, (13)C NMR, MALDI-HRMS, and elementary analysis. The photophysical and electrochemical properties of the derivatives were
PMID 24036045

Factors influencing detection of eDNA from a stream-dwelling amphibian.

Pilliod DS, Goldberg CS, Arkle RS, Waits LP.Author information Forest and Rangeland Ecosystem Science Center, U.S. Geological Survey, Boise, ID, 83706, USA.AbstractEnvironmental DNA (eDNA) methods for detecting and estimating abundance of aquatic species are emerging rapidly, but little is known about how processes such as secretion rate, environmental degradation, and time since colonization or extirpation from a given site affect eDNA measurements. Using stream-dwelling salamanders and quantitative PCR (qPCR) analysis, we conducted three experiments to assess eDNA: (i) production rate; (ii) persistence time under different temperature and light conditions; and (iii) detectability and concentration through time following experimental introduction and removal of salamanders into previously unoccupied streams. We found that 44-50 g individuals held in aquaria produced 77 ng eDNA/h for 2 h, after which production either slowed considerably or began to equilibrate with degradation. eDNA in both full-sun and shaded treatments degraded exponentially to <1% of the original concentration after 3 days. eDNA was no longer detectable in full-sun samples after 8 days, whereas eDNA was detected in 20% of shaded samples after 11 days and 100% of refrigerated control samples after 18 days. When translocated into unoccupied streams, salamanders were detectable after 6 h, but only when densities were relatively high (0.2481 individuals/m(2) ) and when samples were collected within 5 m of the animals. Concentrations of eDNA detected were very low and increased steadily from 6-24 h after introduction, reaching 0.0022 ng/L. Within 1 h of removing salamanders from the stream, eDNA was no longer detectable. These results suggest that eDNA detectability and concentration depend on production rates of individuals, environmental conditions, density of animals, and their residence time.
Molecular ecology resources.Mol Ecol Resour.2014 Jan;14(1):109-16. doi: 10.1111/1755-0998.12159. Epub 2013 Sep 6.
Environmental DNA (eDNA) methods for detecting and estimating abundance of aquatic species are emerging rapidly, but little is known about how processes such as secretion rate, environmental degradation, and time since colonization or extirpation from a given site affect eDNA measurements. Using str
PMID 24034561

Synthesis, spectroscopic and theoretical studies of ethyl (2E)-3-amino-2-({[(4-benzoyl-1,5-diphenyl-1H-pyrazol-3-yl)carbonyl]amino}carbonothioyl)but-2-enoate butanol solvate.

Koca I, Sert Y, Gümüş M, Kani I, Cırak C.Author information Department of Chemistry, Faculty of Art & Sciences, Bozok University, Yozgat, Turkey. Electronic address: i_koca@yahoo.com.AbstractWe have synthesized ethyl (2E)-3-amino-2-({[(4-benzoyl-1,5-diphenyl-1H-pyrazol-3-yl)carbonyl]amino}carbonothioyl)but-2-enoate (2) by the reaction of 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonyl chloride (1), ammonium thiocyanate and ethyl 3-aminobut-2-enoate and then characterized by elemental analyses, IR, Raman, (1)H NMR, (13)C NMR and X-ray diffraction methods. The experimental and theoretical vibrational spectra of 2 were investigated. The experimental FT-IR (4000-400cm(-1)) and Laser-Raman spectra (4000-100cm(-1)) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths, bond angles) were calculated using Ab Initio Hartree Fock (HF), Density Functional Theory (B3LYP) methods with 6-311++G(d,p) basis set by Gaussian 09W program. The computed values of frequencies are scaled using a suitable scale factor to yield good coherence with the observed values. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. The theoretical optimized geometric parameters and vibrational frequencies were compared with the corresponding experimental X-ray diffraction data, and they were seen to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies were calculated.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.Spectrochim Acta A Mol Biomol Spectrosc.2014 Jan;118:816-27. doi: 10.1016/j.saa.2013.09.068. Epub 2013 Oct 8.
We have synthesized ethyl (2E)-3-amino-2-({[(4-benzoyl-1,5-diphenyl-1H-pyrazol-3-yl)carbonyl]amino}carbonothioyl)but-2-enoate (2) by the reaction of 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonyl chloride (1), ammonium thiocyanate and ethyl 3-aminobut-2-enoate and then characterized by elemental anal
PMID 24152866