The full wave FDTD method was used to analyze the Hilbert and H fractal curves antennas. The computational results of the input impedance of Hilbert fractal antenna are in good agreement with the experiments in the do...The full wave FDTD method was used to analyze the Hilbert and H fractal curves antennas. The computational results of the input impedance of Hilbert fractal antenna are in good agreement with the experiments in the documents. The results also show that the self-similarity of the fractal structure leads to the multiplicity of resonances over some predetermined operating bandwidths of the antenna. Fractal geometries of Hilbert and H curves can be implemented to miniaturize the antenna, too. The results also show that the higher order fractal antenna leads to the more efficient reduction of the antenna size than the lower order one. Furthermore, the far field patterns remain almost the same as those of the dipole at their own resonant frequencies.展开更多
A different approach,using the molecular beam epitaxy (MBE)-grown ZnS-based Schottky photodiode technology,is applied to fabricate an 8×8 photodiode array.The micro-processing procedures of this photodiode array ...A different approach,using the molecular beam epitaxy (MBE)-grown ZnS-based Schottky photodiode technology,is applied to fabricate an 8×8 photodiode array.The micro-processing procedures of this photodiode array including standard photolithography,a number of metallisation,wet-chemical etching and SiO_2 deposition for insulation are developed.The detector is characterized to have a cutoff wavelength at 340 nm and the photo-responsivity measurements on the pixels result an ultraviolet (UV) response as high as 0.15 A/W,corresponding to an external quantum efficiency of 55% in the visible-blind spectral ranging from 400 down to 250nm.Imaging tests indicate that this array is able to capture the intensity profile of a given UV light source with reasonably good capability.展开更多
To improve the naphtha composition prediction model based on molecular type homologous series matrix (MTHS), this paper puts forward a novel molecular matrix to characterize the naphtha composition and the norreal d...To improve the naphtha composition prediction model based on molecular type homologous series matrix (MTHS), this paper puts forward a novel molecular matrix to characterize the naphtha composition and the norreal distribution hypothesis to better describe the molecular composition distribution within each homologous series of the molecular matrix. Through prediction calculation of eight groups of naphtha samples and eight groups of gasoline samples, it is verified that the normal distribution hypothesis is more applicable than gamma distribution hypothesis for the prediction model. According to the prediction results of the samples, the restrain range of normal distribution parameters during model computing process is summarized. With the bulk properties of naphtha samples and the value range of distribution parameters as input conditions, this study utilizes the improved novel molecular matrix to predict the composition of naphtha samples. As the results show, the novel molecular matrix can predict more detailed composition information of naphtha and improve prediction accuracy with less unknown parameters.展开更多
We investigate the realization of 2-qutrit logic gate in a bipartite 3-level system with qusi-Ising interaction. On the basis of Caftan decomposition of matrices, the unitary matrices of 2-qutrit are factorized into p...We investigate the realization of 2-qutrit logic gate in a bipartite 3-level system with qusi-Ising interaction. On the basis of Caftan decomposition of matrices, the unitary matrices of 2-qutrit are factorized into products of a series of realizable matrices. It is equivalent to exerting a certain control field on the system, and the control goal is usually gained by a sequence of control pulses. The general discussion on the realization of 2-qutrit logic gate is made first, and then the realization of the ternary SWAP gate and the ternary √SWAP gate are discussed specifically, and the sequences of control pulses and drift processes implementing these gates are given.展开更多
The scheme for probabilistic teleportation of an arbitrary three-particle state is proposed. By using single qubit gate and three two-qubit gates, efficient quantum logic networks for probabilistic teleportation of an...The scheme for probabilistic teleportation of an arbitrary three-particle state is proposed. By using single qubit gate and three two-qubit gates, efficient quantum logic networks for probabilistic teleportation of an arbitrary three-particle state are constructed.展开更多
Determining the number of chemical species is the first step in analyses of a chemical or biological system. A novel method is proposed to address this issue by taking advantage of frequency differences between chemic...Determining the number of chemical species is the first step in analyses of a chemical or biological system. A novel method is proposed to address this issue by taking advantage of frequency differences between chemical information and noise. Two interlaced submatrices were obtained by downsampling an original data spectra matrix in an interlacing manner. The two interlaced submatrices contained similar chemical information but different noise levels. The number of relevant chemical species was determined through pairwise comparisons of principal components obtained by principal component analysis of the two interlaced submatrices. The proposed method, referred to as SRISM, uses two self-referencing interlaced submatrices to make the determination. SRISM was able to selectively distinguish relevant chemical species from various types of interference factors such as signal overlapping, minor components and noise in simulated datasets. Its performance was further validated using experimental datasets that contained high-levels of instrument aberrations, signal overlapping and collinearity. SRISM was also applied to infrared spectral data obtained from atmospheric monitoring. It has great potential for overcoming various types of interference factor. This method is mathematically rigorous, computationally efficient, and readily automated.展开更多
Making use of the transformation relation among usual, normal, and antinormal ordering for the multimode boson exponential quadratic polynomial operators (BEQPO's)I we present the analytic expression of arbitrary m...Making use of the transformation relation among usual, normal, and antinormal ordering for the multimode boson exponential quadratic polynomial operators (BEQPO's)I we present the analytic expression of arbitrary matrix elements for BEQPO's. As a preliminary application, we obtain the exact expressions of partition function about the boson quadratic polynomial system, matrix elements in particle-number, coordinate, and momentum representation, and P representation for the BEQPO's.展开更多
In some satellite communications, we need to perform Direction Of Arrival (DOA) angle estima- tion under the restriction that the number of receivers is less than that of the array elements in an array antenna. To sol...In some satellite communications, we need to perform Direction Of Arrival (DOA) angle estima- tion under the restriction that the number of receivers is less than that of the array elements in an array antenna. To solve the conundrum, a method named subarray-synthesis-based Two-Dimensional DOA (2D DOA) angle estimation is proposed. In the method, firstly, the array antenna is divided into a series of subarray antennas based on the total number of receivers; secondly, the subarray antennas’ output covariance matrices are esti- mated; thirdly, an equivalent covariance matrix is synthesized based on the subarray output covariance matri- ces; then 2D DOA estimation is performed. Monte Carlo simulations showed that the estimation method is ef- fective.展开更多
Partition and entropy of partitions in quantum logic are introduced and their properties are investigated.The results are generalized to the general case of T-norm and T-conorm.
For classical transformation (q1,q2) → (Aq1 + Bq2, Cq1 + Dq2), where AD - CB ≠ 1, we find its quantum mechanical image by using LDU decomposition of the matrix (A B C D ). The explicit operators L, D, and U ...For classical transformation (q1,q2) → (Aq1 + Bq2, Cq1 + Dq2), where AD - CB ≠ 1, we find its quantum mechanical image by using LDU decomposition of the matrix (A B C D ). The explicit operators L, D, and U axe derived and their physical meaning is revealed, this also provides a new way for disentangling some exponential operators.展开更多
We propose a two-component form to describe massive relativistic fermions in gauge theories. Relations between the Green's functions in this form and those in the conventional four-component form are derived. It is s...We propose a two-component form to describe massive relativistic fermions in gauge theories. Relations between the Green's functions in this form and those in the conventional four-component form are derived. It is shown that the S-matrix elements in both forms are exactly the same. The description of the fermion in the new form simplifies significantly the γ-matrix algebra in the four-component form. In particular, in perturbative calculations the propagator of the fermion is a scalar function. As examples, we use this form to reproduce the relativistic spectrum of hydrodron atom, the S-matrix of e+e-→μ+μ- and QED one-loop vacuum polarization of photon.展开更多
AIM: To explore the molecular events taking place during human colon cancer development and progression through high-throughput tissue microarray analysis. METHODS: We constructed two separate tissue microarrays con...AIM: To explore the molecular events taking place during human colon cancer development and progression through high-throughput tissue microarray analysis. METHODS: We constructed two separate tissue microarrays containing 1.0 mm or 1.5 mm cylindrical samples acquired from 112 formalin-fixed and paraffinembedded blocks, including carcinomas (n = 85), adenomatous polyps (n = 18), as well as normal paracancerous colon tissues (n = 9). Immunohistochemical staining was applied to the analysis of the consecutive tissue microarray sections with antibodies for 11 different proteins, including p53, p21, bcl-2, bax, cyclin D1, PTEN, p-Aktl, β-catenin, c-myc, nm23-h1 and Cox-2. RESULTS: The protein expressions of p53, bcl-2, bax, cyclin D1, β-catenin, c-myc, Cox-2 and nm23-h1 varied significantly among tissues from cancer, adenomatous polyps and normal colon mucosa (P = 0.003, P = 0.001, P = 0.000, P = 0.000, P = 0.034, P = 0.003, P = 0.002, and P = 0.007, respectively). Chi-square analysis showed that the statistically significant variables were p53, p21, bax, β-catenin, c-myc, PTEN, p-Aktl, Cox-2 and nm23-h1 for histological grade (P = 0.005, P = 0.013, P = 0.044, P = 0.000, P = 0.000, P = 0.029, P = 0.000, P = 0.008, and P = 0.000, respectively), β-catenin, comyc and p-Akt1 for lymph node metastasis (P = 0.011, P =0.005, and P = 0.032, respectively), β-catenin, c-myc, Cox-2 and nm23-h1 for distance metastasis (P = 0.020, P = 0.000, P = 0.026, and P = 0.008, respectively), and cyclin D1, β-catenin, c-myc, Cox-2 and nm23h1 for clinical stages (P = 0.038, P = 0.008, P = 0.000, P = 0.016, and P = 0.014, respectively). CONCLUSION: Tissue microarray immunohistochemical staining enables high-throughput analysis of genetic alterations contributing to human colon cancer development and progression. Our results implicate the potential roles of p53, cyclin D1, bcl-2, bax, Cox-2, β-catenin and c-myc in development of human colon cancer and that of bcl-2, nm23-h1, PTEN and p-Akt1 in progression of human colon cancer.展开更多
Under the Born-von-Karmann periodic boundary condition, we propose a quantization scheme for non-dissipative distributed parameter circuits (i.e. a uniform periodic transmission line). We find the unitary operator for...Under the Born-von-Karmann periodic boundary condition, we propose a quantization scheme for non-dissipative distributed parameter circuits (i.e. a uniform periodic transmission line). We find the unitary operator for diagonalizing the Hamiltonian of the uniform periodic transmission line. The unitary operator is expressed in a coordinate representation that brings convenience to deriving the density matrix rho(q,q',beta). The quantum fluctuations of charge and current at a definite temperature have been studied. It is shown that quantum fluctuations of distributed parameter circuits, which also have distributed properties, are related to both the circuit parameters and the positions and the mode of signals and temperature T. The higher the temperature is, the stronger quantum noise the circuit exhibits.展开更多
The free vibration problem of rectangular thin plates is rewritten as a new upper triangular matrix differential system. For the associated operator matrix, we find that the two diagonal block operators are Hamiltonia...The free vibration problem of rectangular thin plates is rewritten as a new upper triangular matrix differential system. For the associated operator matrix, we find that the two diagonal block operators are Hamiltonian. Moreover, the existence and completeness of normed symplectic orthogonal eigenfunction systems of these two block operators are demonstrated. Based on the completeness, the general solution of the free vibration of rectangular thin plates is given by double symplectie eigenfunction expansion method.展开更多
The chemical components of the essential oils in the barks and leaves of Eucommia ulmoides Oliver were analyzed and compared by chromatograms and mass spectra technique, heuristic evolving latent projections (HELP), a...The chemical components of the essential oils in the barks and leaves of Eucommia ulmoides Oliver were analyzed and compared by chromatograms and mass spectra technique, heuristic evolving latent projections (HELP), alternative moving window factor analysis (AMWFA) algorithms and normalization method based on the peak areas; the flavones in the barks and leaves of Eucommia ulmoides Oliver were separated on an ODS column by gradient elution carried out with the flow phase consisting of water, methanol and phosphoric acid (0.1%), and their contents were quantitatively determined by standard curve method and diode array detection (DAD) at 362 nm. The results show that 68 and 73 compounds respectively from essential oils of the barks and leaves of Eucommia ulmoides Oliver are identified, and there are 33 mutual compounds among 108 compounds determined. The total contents of these volatile components of the two samples possess 92.9% and 97.75% of the gross of the relevant essential oils, respectively; the contents of the rutin, quercetin and kaempferol in the barks and leaves of Eucommia ulmoides Oliver are 0.016 9, 0.003 6, 0.002 1 and 0.064 4, 0.030 2, 0.010 0 mg/g, respectively, and the determination recoveries are 95.2%-106.2%. The comparative analysis shows that for the barks and leaves of Eucommia ulmoides Oliver, there are significant differences in their components of the relevant essential oils and flavones.展开更多
The nature and origin of a fundamental quantum QSPR (QQSPR) equation are discussed. In principle, as any molecular structure can be associated to quantum mechanical density functions (DF), a molecular set can be r...The nature and origin of a fundamental quantum QSPR (QQSPR) equation are discussed. In principle, as any molecular structure can be associated to quantum mechanical density functions (DF), a molecular set can be reconstructed as a quantum multimolecular polyhedron (QMP), whose vertices are formed by each molecular DF. According to QQSPR theory, complicated kinds of molecular properties, like biological activity or toxicity, of molecular sets can be calculated via the quantum expectation value of an approximate Hermitian operator, which can be evaluated with the geometrical information contained in the attached QMP via quantum similarity matrices. Practical ways of solving the QQSPR problem from the point of view of QMP geometrical structure are provided. Such a development results into a powerful algorithm, which can be implemented within molecular design as an alternative to the current classical QSPR procedures.展开更多
文摘The full wave FDTD method was used to analyze the Hilbert and H fractal curves antennas. The computational results of the input impedance of Hilbert fractal antenna are in good agreement with the experiments in the documents. The results also show that the self-similarity of the fractal structure leads to the multiplicity of resonances over some predetermined operating bandwidths of the antenna. Fractal geometries of Hilbert and H curves can be implemented to miniaturize the antenna, too. The results also show that the higher order fractal antenna leads to the more efficient reduction of the antenna size than the lower order one. Furthermore, the far field patterns remain almost the same as those of the dipole at their own resonant frequencies.
文摘A different approach,using the molecular beam epitaxy (MBE)-grown ZnS-based Schottky photodiode technology,is applied to fabricate an 8×8 photodiode array.The micro-processing procedures of this photodiode array including standard photolithography,a number of metallisation,wet-chemical etching and SiO_2 deposition for insulation are developed.The detector is characterized to have a cutoff wavelength at 340 nm and the photo-responsivity measurements on the pixels result an ultraviolet (UV) response as high as 0.15 A/W,corresponding to an external quantum efficiency of 55% in the visible-blind spectral ranging from 400 down to 250nm.Imaging tests indicate that this array is able to capture the intensity profile of a given UV light source with reasonably good capability.
基金Supported by the National Natural Science Foundation of China(U1462206)
文摘To improve the naphtha composition prediction model based on molecular type homologous series matrix (MTHS), this paper puts forward a novel molecular matrix to characterize the naphtha composition and the norreal distribution hypothesis to better describe the molecular composition distribution within each homologous series of the molecular matrix. Through prediction calculation of eight groups of naphtha samples and eight groups of gasoline samples, it is verified that the normal distribution hypothesis is more applicable than gamma distribution hypothesis for the prediction model. According to the prediction results of the samples, the restrain range of normal distribution parameters during model computing process is summarized. With the bulk properties of naphtha samples and the value range of distribution parameters as input conditions, this study utilizes the improved novel molecular matrix to predict the composition of naphtha samples. As the results show, the novel molecular matrix can predict more detailed composition information of naphtha and improve prediction accuracy with less unknown parameters.
基金supported by the National Natural Science Foundation of China under Grant No. 60433050the Science Foundation of Xuzhou Normal University under Grant No. 06XLA05
文摘We investigate the realization of 2-qutrit logic gate in a bipartite 3-level system with qusi-Ising interaction. On the basis of Caftan decomposition of matrices, the unitary matrices of 2-qutrit are factorized into products of a series of realizable matrices. It is equivalent to exerting a certain control field on the system, and the control goal is usually gained by a sequence of control pulses. The general discussion on the realization of 2-qutrit logic gate is made first, and then the realization of the ternary SWAP gate and the ternary √SWAP gate are discussed specifically, and the sequences of control pulses and drift processes implementing these gates are given.
文摘The scheme for probabilistic teleportation of an arbitrary three-particle state is proposed. By using single qubit gate and three two-qubit gates, efficient quantum logic networks for probabilistic teleportation of an arbitrary three-particle state are constructed.
基金supported by the Program for Changjiang Scholars and Innovative Research Team in University and Fundamental Research Funds for the Central Universities(wk2060190040)
文摘Determining the number of chemical species is the first step in analyses of a chemical or biological system. A novel method is proposed to address this issue by taking advantage of frequency differences between chemical information and noise. Two interlaced submatrices were obtained by downsampling an original data spectra matrix in an interlacing manner. The two interlaced submatrices contained similar chemical information but different noise levels. The number of relevant chemical species was determined through pairwise comparisons of principal components obtained by principal component analysis of the two interlaced submatrices. The proposed method, referred to as SRISM, uses two self-referencing interlaced submatrices to make the determination. SRISM was able to selectively distinguish relevant chemical species from various types of interference factors such as signal overlapping, minor components and noise in simulated datasets. Its performance was further validated using experimental datasets that contained high-levels of instrument aberrations, signal overlapping and collinearity. SRISM was also applied to infrared spectral data obtained from atmospheric monitoring. It has great potential for overcoming various types of interference factor. This method is mathematically rigorous, computationally efficient, and readily automated.
基金The authors would like to thank Prof. Y.D. Zhang for selfless helps and valuable discussions.
文摘Making use of the transformation relation among usual, normal, and antinormal ordering for the multimode boson exponential quadratic polynomial operators (BEQPO's)I we present the analytic expression of arbitrary matrix elements for BEQPO's. As a preliminary application, we obtain the exact expressions of partition function about the boson quadratic polynomial system, matrix elements in particle-number, coordinate, and momentum representation, and P representation for the BEQPO's.
基金Supported by the National Natural Science Foundation of China (No.60462002 and No.60302006).
文摘In some satellite communications, we need to perform Direction Of Arrival (DOA) angle estima- tion under the restriction that the number of receivers is less than that of the array elements in an array antenna. To solve the conundrum, a method named subarray-synthesis-based Two-Dimensional DOA (2D DOA) angle estimation is proposed. In the method, firstly, the array antenna is divided into a series of subarray antennas based on the total number of receivers; secondly, the subarray antennas’ output covariance matrices are esti- mated; thirdly, an equivalent covariance matrix is synthesized based on the subarray output covariance matri- ces; then 2D DOA estimation is performed. Monte Carlo simulations showed that the estimation method is ef- fective.
文摘Partition and entropy of partitions in quantum logic are introduced and their properties are investigated.The results are generalized to the general case of T-norm and T-conorm.
基金Supported by the President Foundation of Chinese Academy of Science and Specialized Research Fund for the Doctorial Progress of Higher Education under Grant No.20070358009
文摘For classical transformation (q1,q2) → (Aq1 + Bq2, Cq1 + Dq2), where AD - CB ≠ 1, we find its quantum mechanical image by using LDU decomposition of the matrix (A B C D ). The explicit operators L, D, and U axe derived and their physical meaning is revealed, this also provides a new way for disentangling some exponential operators.
基金Supported by National Natural Science Foundation of China under Grant No. 10475103
文摘We propose a two-component form to describe massive relativistic fermions in gauge theories. Relations between the Green's functions in this form and those in the conventional four-component form are derived. It is shown that the S-matrix elements in both forms are exactly the same. The description of the fermion in the new form simplifies significantly the γ-matrix algebra in the four-component form. In particular, in perturbative calculations the propagator of the fermion is a scalar function. As examples, we use this form to reproduce the relativistic spectrum of hydrodron atom, the S-matrix of e+e-→μ+μ- and QED one-loop vacuum polarization of photon.
基金Supported by grant from the National 863 Project about Functional Genomic and Biochip, No. 2002AA2Z2021 and 135 Medical Important Talent Foundation of Jiangsu Province, No. 37RC2002037
文摘AIM: To explore the molecular events taking place during human colon cancer development and progression through high-throughput tissue microarray analysis. METHODS: We constructed two separate tissue microarrays containing 1.0 mm or 1.5 mm cylindrical samples acquired from 112 formalin-fixed and paraffinembedded blocks, including carcinomas (n = 85), adenomatous polyps (n = 18), as well as normal paracancerous colon tissues (n = 9). Immunohistochemical staining was applied to the analysis of the consecutive tissue microarray sections with antibodies for 11 different proteins, including p53, p21, bcl-2, bax, cyclin D1, PTEN, p-Aktl, β-catenin, c-myc, nm23-h1 and Cox-2. RESULTS: The protein expressions of p53, bcl-2, bax, cyclin D1, β-catenin, c-myc, Cox-2 and nm23-h1 varied significantly among tissues from cancer, adenomatous polyps and normal colon mucosa (P = 0.003, P = 0.001, P = 0.000, P = 0.000, P = 0.034, P = 0.003, P = 0.002, and P = 0.007, respectively). Chi-square analysis showed that the statistically significant variables were p53, p21, bax, β-catenin, c-myc, PTEN, p-Aktl, Cox-2 and nm23-h1 for histological grade (P = 0.005, P = 0.013, P = 0.044, P = 0.000, P = 0.000, P = 0.029, P = 0.000, P = 0.008, and P = 0.000, respectively), β-catenin, comyc and p-Akt1 for lymph node metastasis (P = 0.011, P =0.005, and P = 0.032, respectively), β-catenin, c-myc, Cox-2 and nm23-h1 for distance metastasis (P = 0.020, P = 0.000, P = 0.026, and P = 0.008, respectively), and cyclin D1, β-catenin, c-myc, Cox-2 and nm23h1 for clinical stages (P = 0.038, P = 0.008, P = 0.000, P = 0.016, and P = 0.014, respectively). CONCLUSION: Tissue microarray immunohistochemical staining enables high-throughput analysis of genetic alterations contributing to human colon cancer development and progression. Our results implicate the potential roles of p53, cyclin D1, bcl-2, bax, Cox-2, β-catenin and c-myc in development of human colon cancer and that of bcl-2, nm23-h1, PTEN and p-Akt1 in progression of human colon cancer.
文摘Under the Born-von-Karmann periodic boundary condition, we propose a quantization scheme for non-dissipative distributed parameter circuits (i.e. a uniform periodic transmission line). We find the unitary operator for diagonalizing the Hamiltonian of the uniform periodic transmission line. The unitary operator is expressed in a coordinate representation that brings convenience to deriving the density matrix rho(q,q',beta). The quantum fluctuations of charge and current at a definite temperature have been studied. It is shown that quantum fluctuations of distributed parameter circuits, which also have distributed properties, are related to both the circuit parameters and the positions and the mode of signals and temperature T. The higher the temperature is, the stronger quantum noise the circuit exhibits.
基金Supported by the National Natural Science Foundation of China under Grant No.10962004the Natural Science Foundation of Inner Mongolia under Grant No.2009BS0101+1 种基金the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No.20070126002the Cultivation of Innovative Talent of "211 Project"of Inner Mongolia University
文摘The free vibration problem of rectangular thin plates is rewritten as a new upper triangular matrix differential system. For the associated operator matrix, we find that the two diagonal block operators are Hamiltonian. Moreover, the existence and completeness of normed symplectic orthogonal eigenfunction systems of these two block operators are demonstrated. Based on the completeness, the general solution of the free vibration of rectangular thin plates is given by double symplectie eigenfunction expansion method.
基金Project(20235020) supported by the National Natural Science Foundation of China
文摘The chemical components of the essential oils in the barks and leaves of Eucommia ulmoides Oliver were analyzed and compared by chromatograms and mass spectra technique, heuristic evolving latent projections (HELP), alternative moving window factor analysis (AMWFA) algorithms and normalization method based on the peak areas; the flavones in the barks and leaves of Eucommia ulmoides Oliver were separated on an ODS column by gradient elution carried out with the flow phase consisting of water, methanol and phosphoric acid (0.1%), and their contents were quantitatively determined by standard curve method and diode array detection (DAD) at 362 nm. The results show that 68 and 73 compounds respectively from essential oils of the barks and leaves of Eucommia ulmoides Oliver are identified, and there are 33 mutual compounds among 108 compounds determined. The total contents of these volatile components of the two samples possess 92.9% and 97.75% of the gross of the relevant essential oils, respectively; the contents of the rutin, quercetin and kaempferol in the barks and leaves of Eucommia ulmoides Oliver are 0.016 9, 0.003 6, 0.002 1 and 0.064 4, 0.030 2, 0.010 0 mg/g, respectively, and the determination recoveries are 95.2%-106.2%. The comparative analysis shows that for the barks and leaves of Eucommia ulmoides Oliver, there are significant differences in their components of the relevant essential oils and flavones.
文摘The nature and origin of a fundamental quantum QSPR (QQSPR) equation are discussed. In principle, as any molecular structure can be associated to quantum mechanical density functions (DF), a molecular set can be reconstructed as a quantum multimolecular polyhedron (QMP), whose vertices are formed by each molecular DF. According to QQSPR theory, complicated kinds of molecular properties, like biological activity or toxicity, of molecular sets can be calculated via the quantum expectation value of an approximate Hermitian operator, which can be evaluated with the geometrical information contained in the attached QMP via quantum similarity matrices. Practical ways of solving the QQSPR problem from the point of view of QMP geometrical structure are provided. Such a development results into a powerful algorithm, which can be implemented within molecular design as an alternative to the current classical QSPR procedures.