A three-dimensional framework copper（Ⅱ） coordination polymer with copper carbonate basic and 3-（pyridin-2-yl）-1,2,4-triazole （Hpt） has been hydrothemally synthesized.The complex （2,C14 H10 CuN8 ·3H2 O） c...A three-dimensional framework copper（Ⅱ） coordination polymer with copper carbonate basic and 3-（pyridin-2-yl）-1,2,4-triazole （Hpt） has been hydrothemally synthesized.The complex （2,C14 H10 CuN8 ·3H2 O） crystallizes in tetragonal,space group P4 2 /n,a=2.08581（12）,b=2.08581（12）,c=0.72331（4） nm,M r=761.73,V=3.1468（3） nm 3,Dc=1.608 g/cm 3,Z=4,F（000）=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each copper ion is coordinated with five nitrogen atoms from four Hpt molecules,forming a distorted square pyramidal geometry.The fluorescence spectrum analysis shows that the title complex at room temperature exhibits intense photoluminescence with maximum emission at 450 nm.The quantum chemistry calculation study on the complex has been performed.The stability,some frontier molecular orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated.展开更多
Crystal structure of tetra(1,10-Phenanthroline)neodymium (Ⅲ) tetra(4-aminobenzoate)-hydrate, [Nd(p-ABA)4·2Phen]H+3O·2Phen (p-ABA:p-aminobenzoate,Phen:1,10-phenanthroline) has been determined by X-ray diffra...Crystal structure of tetra(1,10-Phenanthroline)neodymium (Ⅲ) tetra(4-aminobenzoate)-hydrate, [Nd(p-ABA)4·2Phen]H+3O·2Phen (p-ABA:p-aminobenzoate,Phen:1,10-phenanthroline) has been determined by X-ray diffraction.The complex crystallizes in monoclinic, space group C2/c.The cell dimensions are a=1.9067 (5) nm,b=1.9192 (3) nm,c=2.0190 (4) nm,β=117.25 (2) °.V=6.568 (3) nm3, Mr= 1428.63,Z=4 and Dx= 1.45 g·cm-3.The coordination number of Nd atom is 10, and the coordinated polyhedron around the Nd atom is distorted trigonal prism.展开更多
A wide variety of genetic and non-genetic pathologies share serious psychiatric symptoms, which determine a poor quality of life for patients and their families. To evaluate whether bumetanide, a drug initially develo...A wide variety of genetic and non-genetic pathologies share serious psychiatric symptoms, which determine a poor quality of life for patients and their families. To evaluate whether bumetanide, a drug initially developed as a diuretic and currently analyzed for a new indication in patients with severe neuropsychiatric pathologies, could improve the disruptive and self-injurious behaviors secondary to Tuberous Sclerosis Complex (TSC) and characteristic of the autistic spectrum the case of this 6-year-old patient is considered. Following preclinical and clinical evidence of the efficacy of bumetanide in Tuberous Sclerosis and other neurodevelopmental disorders, the drug may alleviate the psychiatric manifestations (TAND) of Tuberous Sclerosis pathology. This would allow avoiding the excessive prescription of antipsychotic drugs indicated to control disruptive behaviors. <strong>Methodology: </strong>The <i>Administración Nacional de Medicamentos, Alimentos y Tecnología Médica </i>(ANMAT) approval was requested for compassionate use since it is not an approved drug in Argentina for this indication. The patient was evaluated with laboratory tests at T0, T1, T2, T3 and T4, corresponding to the basal moments, of 7 days, 30 days, 60 days and 90 days after starting the medication. Likewise, behavior was evaluated with the Aberrant Behavior Checklist (ABC) at the same times described. CARS was used for autistic characteristics and TAND Checklist for psychiatric disorders, both at the beginning. Bumetanide was administered at 1 mg/day and increased to 1.5 mg/day one month after the first dose. <strong>Results:</strong> We observed, in this case, the primary endpoint, irritability, showed moderate improvement. On the contrary, hyperactivity, attention, sociability and better connection through gaze experienced and evident improvement. Regarding isolation scales and stereotyped behaviors, an important improvement was found after 3 months of treatment with bumetanide, an antagonist NKCC1, evaluated through the Aberrant Behavior Checklist (ABC). On the other hand, no remarkable adverse effects were observed.展开更多
The titled new complex was synthesized and determined by X-ray diffraction. The crystal belongs to monoclinic, P-I group, a=1.8997（4）nm, b-0.581 07（12）nm, c=2.4209（5）nm, β-90.65（3）°, V=2.672 2（9） nm^3,...The titled new complex was synthesized and determined by X-ray diffraction. The crystal belongs to monoclinic, P-I group, a=1.8997（4）nm, b-0.581 07（12）nm, c=2.4209（5）nm, β-90.65（3）°, V=2.672 2（9） nm^3, Z=4, Dc= 1.488 g/cm^3, It has C2 symmetry with the axis through the Zn atom, and the zinc atom is coordinated by two N atoms of the 1-（4-methoxyphenyl） 3-（ 1H-1, 2, 4-triazol-1-yl）-1-propanone ligands and two C1^- atoms, forming a slightly distorted tetrahedron. Intermolecular hydrogen bonds make the complex stable. IR and electronic spectra study of the target complex were also carried.展开更多
This paper presents a high efficiency spread spectrum scheme using approximate orthogonal complex (AOC) sequences. In this scheme, the 64 AOC sequences picked up from 84 complex sequences space are employed for spread...This paper presents a high efficiency spread spectrum scheme using approximate orthogonal complex (AOC) sequences. In this scheme, the 64 AOC sequences picked up from 84 complex sequences space are employed for spreading spectrum. In modulation, 6 input bits is used to select one AOC sequence, and the selected sequence is then phase-rotated by another 2 input bits. In demodulator, a complex correlator detects the transmitted AOC sequence. Simulation results show that the proposed scheme has better BER performance than the existing complementary code keying (CCK) modulation scheme. For AOC, additional processing gain of 1.79dB can be obtained when the sequence length is 8.展开更多
The title complex C_(27)H_(26)MnN_5O_2S (M_r= 539. 53 ) crystallizes in monoclinic system, space group P2_1/α with α = 8. 357 (2) A, b = 19. 077 (4) A . c = 16. 267(3) A, β=95. 85(2)°, V=2580(2) A￣3, Z=4, F(0...The title complex C_(27)H_(26)MnN_5O_2S (M_r= 539. 53 ) crystallizes in monoclinic system, space group P2_1/α with α = 8. 357 (2) A, b = 19. 077 (4) A . c = 16. 267(3) A, β=95. 85(2)°, V=2580(2) A￣3, Z=4, F(000) = 1120, D_c= 1. 39 g/ cm￣3 and μ=0. 601 mm￣(-1)(MoKα). The final R and R_w are 0. 0638 and 0. 0876, respectively. The coordination geometry around Mn atom is a distorted octahedron with a equatorial plane N_2O_2 from the Schiff base ligand bzacen￣(2-), the axial atoms being two nitrogen atoms from a thiocyanate and a pyrimidine ligand. The shifts of v_c=N, v_c=O and v_c=C to lower frequencies in IR and Raman spectra indicate that the ligand bzacen￣(2-) has been coordinated to Mn atom through its nitrogen and oxygen atoms. The lines assigned to Mn-O and Mn-N vibrations were found in Raman spectrum. There is π～π￣* transition, d～π￣* charge-transfer transitions and d～d￣* transitions in electronic spectrum. The current potential curve in acetontrile reveals that Mn(Ⅲ)is in stable valence state.展开更多
UV-Vis spectrum and the third-order nonlinear optical properties of the chiral camphor-derived β-diketonate have been studied at the B3LYP/6-31G＊ level. The results showed that the introduction of electron-drawing g...UV-Vis spectrum and the third-order nonlinear optical properties of the chiral camphor-derived β-diketonate have been studied at the B3LYP/6-31G＊ level. The results showed that the introduction of electron-drawing group -CF3 and -C3F7 on β-diketonate made the strongest absorption peak red-shift and the lowest energy absorption blue-shied. Introduction of -OC2H5 on the benzene or pyridine ring made the lowest energy absorption blue-shift. When the -C2H3 was introduced on the benzene or pyridine ring, the lowest energy absorption was red-shifted. Introduction of electron-donating group on β-diketonate can enlarge their nonlinear optical properties. On the contrary, the introduction of electron-drawing group dropped it down.展开更多
A novel complex Mn3（2,2＇-bipy）ff3,5-DMBA）6 with 3,5-dimethylbenzoic acid （3,5-DMBA） and 2,2＇-bipyridine （2,2＇-bipy） has been synthesized by means of a solvent method. It crystallizes in the monoclinic space ...A novel complex Mn3（2,2＇-bipy）ff3,5-DMBA）6 with 3,5-dimethylbenzoic acid （3,5-DMBA） and 2,2＇-bipyridine （2,2＇-bipy） has been synthesized by means of a solvent method. It crystallizes in the monoclinic space group C2/c with a = 3.1118（6）, b = 1.1754（2）, c = 2.0887（4） nm, β = 118.50（3）°, V= 6.714（2） nm3, Dc = 1.384 g/cm3, Z = 8, F（000） = 2912, the final GOOF = 1.078, R = 0.0691 and wR = 0.1455. The crystal structure shows that the three coordinated manganese（II） ions lie in a line with the middle one as the symmetric center. The distance between the central manganese（II） and the symmetric one is 0.3549 nm. There exist two coordination modes for the three manganese （II） ions： the symmetric manganese（II） ions are coordinated with three oxygen atoms and two nitrogen atoms from three 3,5-DMBA molecules and one 2,2＇-bipy molecule, respectively, forming a distorted square-pyramidal coordination geometry; the middle manganese（II） ion is coordinated with six oxygen atoms from six 3,5-DMBA molecules, generating a distorted octahedral coordination geometry. Spectrum properties of the complex were also studied.展开更多
RE chlorophyll a complexes (RE=La, Ce, Eu and Y) were synthesized in acetone solution. The UV Vis and FTIR spectra of RE chlorophyll a, chlorophyll a and pheophytin a as well as MCD spectra of chlorophyll a, p...RE chlorophyll a complexes (RE=La, Ce, Eu and Y) were synthesized in acetone solution. The UV Vis and FTIR spectra of RE chlorophyll a, chlorophyll a and pheophytin a as well as MCD spectra of chlorophyll a, pheophytin a and La chlorophyll a were studied. Results show that Soret band splits, Q y(0→0) blue shifts, and the other Q band disappearance occurred in the UV Vis spectra of the RE chlorophyll a complexes. The FTIR spectra of the RE chlorophyll a complexes are similar to that of chlorophyll a, but are distinct from that of pheophytin a. These phenomena indicate that La 3+ , Ce 3+ , Eu 3+ , and Y 3+ coordinate to the porphyrin rings of pheophytin, and RE chlorophyll a complexes are formed. MCD spectrum of La chlorophyll a shows the special bands in Soret band region, which indicated that La chlorophyll a are sandwich structure porphyrin complexes.展开更多
Our previous study reported the influences of different complexing agents on electroless nickel （EN） by examining the properties of the deposits. In the present work, the effects of four common-used complexing agent...Our previous study reported the influences of different complexing agents on electroless nickel （EN） by examining the properties of the deposits. In the present work, the effects of four common-used complexing agents on EN deposition rate and the stability of solution pH values were examined, either with an acetic pH buffer agent or absent of them. It is indicated that the pH buffeting effect of them is dominative when the EN solution is lack of the pH buffer. Under this situation, the EN deposition rate increases with the concentration of complexing agents increasing. The EN deposition rate decreases with fin＇ther adding the complexing agent when the solution already has enough pH buffer capability. Electrochemical impedance spectroscopy obtained during EN deposition illustrates that, in this case, the enhanced reaction resistance is the main reason for a lower deposition rate. However, the influence of polarization caused by mass transfer is not negligible at high complex ratio for sodium citrate and malic acid EN solutions.展开更多
The complete experimental IR spectra and vibrational analysis of the title complex Co(mnt)(dmbpy) were reported in this paper. The results show that the complex molecule has a planar geometry belonging to point group ...The complete experimental IR spectra and vibrational analysis of the title complex Co(mnt)(dmbpy) were reported in this paper. The results show that the complex molecule has a planar geometry belonging to point group C 2v and ground electronic state with spin quartet. A new method for analyzing vibrational spectra of complicated molecule is established. The essential of this method is to point out main fixed points and pivotal vibrational units in assignment for each fundamental band. Two new symbols η (heaving along the specified direction) and M (midpoint of a bond or unit) were defined for describing the vibrational modes accurately.展开更多
The three-dimensional framework copper（Ⅱ） coordination polymer with basic copper carbonate and 3-（pyridin-2-yl）-1,2,4-triazole has been hydrothermally synthesized. It crystallizes in monoclinic space group P21/c,...The three-dimensional framework copper（Ⅱ） coordination polymer with basic copper carbonate and 3-（pyridin-2-yl）-1,2,4-triazole has been hydrothermally synthesized. It crystallizes in monoclinic space group P21/c, with a = 1.20860（3）, b = 1.29581（2）, c = 1.67863（3） nm, β = 116.0280（2）°, C21H12Cu3N12, Mr = 623.05, V = 2.36230（9） nm3, Dc = 1.752 g/cm3, Z = 4, F（000） = 1236, GOOF = 1.037, the final R = 0.0408 and wR = 0.1141. Every unit cell contains three copper atoms and three 3-（pyridin-2-yl）-1,2,4-triazole ligands. Every central Cu（Ⅱ） ion is coordinated by four nitrogen atoms of the 3-（pyridin-2-yl）-1,2,4-triazole ligands, forming a distorted tetrahedron. The title complex exhibits an intense photoluminescence at room temperature with the maximum emission at 392 nm. The cyclic voltametric behavior of the complex shows that the electron transfer in electrolysis reaction is irreversible.展开更多
Based on the Games-Chan algorithm and StampMartin algorithm, this paper provides some new algorithms to compute the error linear complexity spectrum of binary 2n-periodic se- quences. These new algorithms are clearer ...Based on the Games-Chan algorithm and StampMartin algorithm, this paper provides some new algorithms to compute the error linear complexity spectrum of binary 2n-periodic se- quences. These new algorithms are clearer and simpler than old algorithms, and they can quickly compute the error linear com- plexity spectrum of sequences according to different situations. We also discuss such algorithms and give some new results about linear complexity and error linear complexity of sequences.展开更多
The rare earth complexes Tb（o-BrBA）3,Tb（m-BrBA）3 and Tb（p-BrBA）3 were synthesized using o-,m-,p-bromo benzoic acids（2-bromo benzoic acid,3-bromo benzoic acid and 4-bromo benzoic acid） as ligand,respectively.Th...The rare earth complexes Tb（o-BrBA）3,Tb（m-BrBA）3 and Tb（p-BrBA）3 were synthesized using o-,m-,p-bromo benzoic acids（2-bromo benzoic acid,3-bromo benzoic acid and 4-bromo benzoic acid） as ligand,respectively.The UV spectra showed that the absorption ability of Tb（m-BrBA）3 was the strongest.However,the fluorescent intensity of Tb（o-BrBA）3 was the weakest.The effect of the molecular structure,the energy level of Tb3＋ and energy transfer efficiency from ligands to Tb3＋ were discussed to explain the experimental results.The results indicated that,due to the large atomic radius of bromine,the steric effect caused by the different substitution bromine on the benzene ring might strongly affect the bond length formed by the coordination atoms and Tb3＋.The longer the bond length was,the lower the efficiency of energy transfer was,and the weaker the fluorescent intensity was.展开更多
The structure of a zinc（Ⅱ） coordination complex（1）, [C14 H10 N3 O5 Zn1.5]n or [Zn1.5（bzim）（pydc）（H2 O）]n（H2 pydc = pyridine-2,3-dicarboxylic acid, Hbzim = benzimidazole）, has been determined by X-ray crys...The structure of a zinc（Ⅱ） coordination complex（1）, [C14 H10 N3 O5 Zn1.5]n or [Zn1.5（bzim）（pydc）（H2 O）]n（H2 pydc = pyridine-2,3-dicarboxylic acid, Hbzim = benzimidazole）, has been determined by X-ray crystallography and characterized by elemental analysis, IR spectrum and luminescence. Chemical formula： C14 H10 N3 O5 Zn1.5. It crystallizes in the monoclinic system, space group P21/c with a = 12.303（4）, b = 12.052（4）, c = 10.212（3） ？, β = 104.147（4）, V = 1468.3（8） ？3, Z = 4, Mr = 398.30, Dc = 1.802 g/cm3, F（000） = 800, μ = 2.501 mm-1 and S = 1.000. The 2-D network architecture of 1 is constructed from benzimidazole, zinc and pyridine-2,3-dicarboxylic acid. The quantum-chemical calculations have been performed on ‘molecular fragments’ extracted from the crystal structure using the B3 LYP method in Gaussian 09. The luminescence spectrum shows that complex 1 emits blue luminescence.展开更多
Fifteen M(S2COR)n complexes were prepared.According to the data provided by IR,UV-Vis absorption spectrometry and X-ray diffraction,this paper covers the relationship between molecular structures of xanthate complexes...Fifteen M(S2COR)n complexes were prepared.According to the data provided by IR,UV-Vis absorption spectrometry and X-ray diffraction,this paper covers the relationship between molecular structures of xanthate complexes and their absorption spectra and a criterion of chelate stability is also proposed.The stability mechanism of xanthate chelates and related rules were investigated.展开更多
The copper（II） compound [Cu（Brzhama）（DMF）]2 （C22H24Br4Cu2N4O10S2, Br2hamaH2 = [（3,5-dibromo-2-hydroxybenzylidene）-amino]-methanesulfonic acid, DMF = N,N＇-dimethylformamide） 1 crystallizes in trictinic, spac...The copper（II） compound [Cu（Brzhama）（DMF）]2 （C22H24Br4Cu2N4O10S2, Br2hamaH2 = [（3,5-dibromo-2-hydroxybenzylidene）-amino]-methanesulfonic acid, DMF = N,N＇-dimethylformamide） 1 crystallizes in trictinic, space group P1 with a = 8.477（2）, b = 10.164（2）, c = 10.671（2）A, α= 112.66（3）, β = 104.33（3）, γ = 96.67（3）°, Z = 1, and R = 0.0789 for 1823 observed reflections with I 〉 2σ（I）. The centrosymmetric molecule comprises a pair of copper atoms connected by two anions of [（3,5-dibromo-2-hydroxybenzylidene）-amino]-methanesulfonic acid in a tetradentate coordination mode. The five-coordination of copper（II） is further completed by DME The complex forms a 1-D chain through C-H…π hydrogen bonds. The Cu^II…Cu^II distance is 4.937（1） A.展开更多
The ProP waveform data obtained from a deep seismic sounding profile, which ran through Zhangbei seismic region, were processed by means of both seismic wave complexity coefficient and frequency spectrum analysis meth...The ProP waveform data obtained from a deep seismic sounding profile, which ran through Zhangbei seismic region, were processed by means of both seismic wave complexity coefficient and frequency spectrum analysis methods, and the complexity characteristics of crest-mantle boundary beneath the studied area and its adjacent region were determined. The results show that the place below epicenter can be taken as boundary, the northern side of which is Inner Mongolia axis with small complexity coefficient and the southern side of which is Huai＇an basin with large complexity coefficient. The different spectrum patterns at the two sides of the epicenter were inferred from spectrum analysis. In the epicentral area, there have been multi-period magmatic eruptions since Meso-Cenozoic and craters exist at the surface. From the velocity imaging of middle and upper crust in Zhangbei seismic region it can be found that there are crustal low velocity bodies around the craters and also there are low velocity zones, which went into deep crust. It is suggested that the distinct zones of crust-mantle boundary complexity may be the margin, where the magma had intruded due to magma activity in Meso-Cenozoic. The southern side with large complexity coefficient is deep magmatic activity area and the northern side with small complexity coefficient is stable crust-mantle tectonics. The difference of crust-mantle complexity provides deep background for the development of strong earthquake.展开更多
A new response-spectrum mode superposition method, entirely in real value form, is developed to analyze the maximum structural response under earthquake ground motion for generally damped linear systems with repeated ...A new response-spectrum mode superposition method, entirely in real value form, is developed to analyze the maximum structural response under earthquake ground motion for generally damped linear systems with repeated eigenvalues and defective eigenvectors. This algorithm has clear physical concepts and is similar to the complex complete quadratic combination （CCQC） method previously established. Since it can consider the effect of repeated eigenvalues, it is called the CCQC-R method, in which the correlation coefficients of high-order modal responses are enclosed in addition to the correlation coefficients in the normal CCQC method. As a result, the formulas for calculating the correlation coefficients of high-order modal responses are deduced in this study, including displacement, velocity and velocity-displacement correlation coefficients. Furthermore, the relationship between high-order displacement and velocity covariance is derived to make the CCQC-R algorithm only relevant to the high-order displacement response spectrum. Finally, a practical step-by-step integration procedure for calculating high-order displacement response spectrum is obtained by changing the earthquake ground motion input, which is evaluated by comparing it to the theory solution under the sine-wave input. The method derived here is suitable for generally linear systems with classical or non-classical damping.展开更多
Lanthanum coordination compound with l-alanine[La<sub>2</sub>（ala）<sub>4</sub>（H<sub>2</sub>O）<sub>8</sub>]·（ClO<sub>4</sub>）<sub>6</sub&...Lanthanum coordination compound with l-alanine[La<sub>2</sub>（ala）<sub>4</sub>（H<sub>2</sub>O）<sub>8</sub>]·（ClO<sub>4</sub>）<sub>6</sub>（ala=l-alanine） was synthesized by reaction of lanthanum perchlorate with l-alanine in aqueous solution and obtained in the form of single crystals.The X-ray crystal structure has been determined and the IR spectrum has been studied.The title compound Cl<sub>6</sub>La<sub>2</sub>C<sub>1</sub>2H<sub>4</sub>4O<sub>4</sub>0N<sub>4</sub>,M<sub>r</sub>=1375.2,crystallizes in the triclinic,space group P1 , with parameters: a= 11.227（3）,b=11.445（2）,c=11.014（3）,α=114.46（2）,β=114.51（2）,γ=78.62（2）°,V=1171.73,Z=1,Dc=1.95 g/cm￣3,F（000）=680,μ=22.9 cm￣-1（MoKα）.The final R=0.050,R<sub>ω</sub>=0.051.In the crystal,two lanthanum ions are coordinated by four alanine molecules via four carboxylate bridges to form a dinuclear coordination compound.Four water molecules are coordinated to each lanthanum ion. There is a symmetric centre between the two lanthanum ions.The IR spectrum of the coordination compound and the relationship between the IR spectrum and the structure have been studied.The mechanism of the configuration inversion of alanine has been proposed.展开更多
基金Supported by the Natural Science Foundation of Hunan Province (No. 11JJ9006)Science and Technology Committee of Hengyang (2011kj25)
文摘A three-dimensional framework copper（Ⅱ） coordination polymer with copper carbonate basic and 3-（pyridin-2-yl）-1,2,4-triazole （Hpt） has been hydrothemally synthesized.The complex （2,C14 H10 CuN8 ·3H2 O） crystallizes in tetragonal,space group P4 2 /n,a=2.08581（12）,b=2.08581（12）,c=0.72331（4） nm,M r=761.73,V=3.1468（3） nm 3,Dc=1.608 g/cm 3,Z=4,F（000）=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each copper ion is coordinated with five nitrogen atoms from four Hpt molecules,forming a distorted square pyramidal geometry.The fluorescence spectrum analysis shows that the title complex at room temperature exhibits intense photoluminescence with maximum emission at 450 nm.The quantum chemistry calculation study on the complex has been performed.The stability,some frontier molecular orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated.
文摘Crystal structure of tetra(1,10-Phenanthroline)neodymium (Ⅲ) tetra(4-aminobenzoate)-hydrate, [Nd(p-ABA)4·2Phen]H+3O·2Phen (p-ABA:p-aminobenzoate,Phen:1,10-phenanthroline) has been determined by X-ray diffraction.The complex crystallizes in monoclinic, space group C2/c.The cell dimensions are a=1.9067 (5) nm,b=1.9192 (3) nm,c=2.0190 (4) nm,β=117.25 (2) °.V=6.568 (3) nm3, Mr= 1428.63,Z=4 and Dx= 1.45 g·cm-3.The coordination number of Nd atom is 10, and the coordinated polyhedron around the Nd atom is distorted trigonal prism.
文摘A wide variety of genetic and non-genetic pathologies share serious psychiatric symptoms, which determine a poor quality of life for patients and their families. To evaluate whether bumetanide, a drug initially developed as a diuretic and currently analyzed for a new indication in patients with severe neuropsychiatric pathologies, could improve the disruptive and self-injurious behaviors secondary to Tuberous Sclerosis Complex (TSC) and characteristic of the autistic spectrum the case of this 6-year-old patient is considered. Following preclinical and clinical evidence of the efficacy of bumetanide in Tuberous Sclerosis and other neurodevelopmental disorders, the drug may alleviate the psychiatric manifestations (TAND) of Tuberous Sclerosis pathology. This would allow avoiding the excessive prescription of antipsychotic drugs indicated to control disruptive behaviors. <strong>Methodology: </strong>The <i>Administración Nacional de Medicamentos, Alimentos y Tecnología Médica </i>(ANMAT) approval was requested for compassionate use since it is not an approved drug in Argentina for this indication. The patient was evaluated with laboratory tests at T0, T1, T2, T3 and T4, corresponding to the basal moments, of 7 days, 30 days, 60 days and 90 days after starting the medication. Likewise, behavior was evaluated with the Aberrant Behavior Checklist (ABC) at the same times described. CARS was used for autistic characteristics and TAND Checklist for psychiatric disorders, both at the beginning. Bumetanide was administered at 1 mg/day and increased to 1.5 mg/day one month after the first dose. <strong>Results:</strong> We observed, in this case, the primary endpoint, irritability, showed moderate improvement. On the contrary, hyperactivity, attention, sociability and better connection through gaze experienced and evident improvement. Regarding isolation scales and stereotyped behaviors, an important improvement was found after 3 months of treatment with bumetanide, an antagonist NKCC1, evaluated through the Aberrant Behavior Checklist (ABC). On the other hand, no remarkable adverse effects were observed.
文摘The titled new complex was synthesized and determined by X-ray diffraction. The crystal belongs to monoclinic, P-I group, a=1.8997（4）nm, b-0.581 07（12）nm, c=2.4209（5）nm, β-90.65（3）°, V=2.672 2（9） nm^3, Z=4, Dc= 1.488 g/cm^3, It has C2 symmetry with the axis through the Zn atom, and the zinc atom is coordinated by two N atoms of the 1-（4-methoxyphenyl） 3-（ 1H-1, 2, 4-triazol-1-yl）-1-propanone ligands and two C1^- atoms, forming a slightly distorted tetrahedron. Intermolecular hydrogen bonds make the complex stable. IR and electronic spectra study of the target complex were also carried.
文摘This paper presents a high efficiency spread spectrum scheme using approximate orthogonal complex (AOC) sequences. In this scheme, the 64 AOC sequences picked up from 84 complex sequences space are employed for spreading spectrum. In modulation, 6 input bits is used to select one AOC sequence, and the selected sequence is then phase-rotated by another 2 input bits. In demodulator, a complex correlator detects the transmitted AOC sequence. Simulation results show that the proposed scheme has better BER performance than the existing complementary code keying (CCK) modulation scheme. For AOC, additional processing gain of 1.79dB can be obtained when the sequence length is 8.
文摘The title complex C_(27)H_(26)MnN_5O_2S (M_r= 539. 53 ) crystallizes in monoclinic system, space group P2_1/α with α = 8. 357 (2) A, b = 19. 077 (4) A . c = 16. 267(3) A, β=95. 85(2)°, V=2580(2) A￣3, Z=4, F(000) = 1120, D_c= 1. 39 g/ cm￣3 and μ=0. 601 mm￣(-1)(MoKα). The final R and R_w are 0. 0638 and 0. 0876, respectively. The coordination geometry around Mn atom is a distorted octahedron with a equatorial plane N_2O_2 from the Schiff base ligand bzacen￣(2-), the axial atoms being two nitrogen atoms from a thiocyanate and a pyrimidine ligand. The shifts of v_c=N, v_c=O and v_c=C to lower frequencies in IR and Raman spectra indicate that the ligand bzacen￣(2-) has been coordinated to Mn atom through its nitrogen and oxygen atoms. The lines assigned to Mn-O and Mn-N vibrations were found in Raman spectrum. There is π～π￣* transition, d～π￣* charge-transfer transitions and d～d￣* transitions in electronic spectrum. The current potential curve in acetontrile reveals that Mn(Ⅲ)is in stable valence state.
基金supported by the National Natural Science Foundation of China(21172161)
文摘UV-Vis spectrum and the third-order nonlinear optical properties of the chiral camphor-derived β-diketonate have been studied at the B3LYP/6-31G＊ level. The results showed that the introduction of electron-drawing group -CF3 and -C3F7 on β-diketonate made the strongest absorption peak red-shift and the lowest energy absorption blue-shied. Introduction of -OC2H5 on the benzene or pyridine ring made the lowest energy absorption blue-shift. When the -C2H3 was introduced on the benzene or pyridine ring, the lowest energy absorption was red-shifted. Introduction of electron-donating group on β-diketonate can enlarge their nonlinear optical properties. On the contrary, the introduction of electron-drawing group dropped it down.
基金Supported by the Natural Science Foundation of Hunan Province(No.11JJ9006)Hunan Provincial innovative platform open fund project(11K009)Science and Technology Committee of Hunan Province(2012WK3029,2012GK3031)
文摘A novel complex Mn3（2,2＇-bipy）ff3,5-DMBA）6 with 3,5-dimethylbenzoic acid （3,5-DMBA） and 2,2＇-bipyridine （2,2＇-bipy） has been synthesized by means of a solvent method. It crystallizes in the monoclinic space group C2/c with a = 3.1118（6）, b = 1.1754（2）, c = 2.0887（4） nm, β = 118.50（3）°, V= 6.714（2） nm3, Dc = 1.384 g/cm3, Z = 8, F（000） = 2912, the final GOOF = 1.078, R = 0.0691 and wR = 0.1455. The crystal structure shows that the three coordinated manganese（II） ions lie in a line with the middle one as the symmetric center. The distance between the central manganese（II） and the symmetric one is 0.3549 nm. There exist two coordination modes for the three manganese （II） ions： the symmetric manganese（II） ions are coordinated with three oxygen atoms and two nitrogen atoms from three 3,5-DMBA molecules and one 2,2＇-bipy molecule, respectively, forming a distorted square-pyramidal coordination geometry; the middle manganese（II） ion is coordinated with six oxygen atoms from six 3,5-DMBA molecules, generating a distorted octahedral coordination geometry. Spectrum properties of the complex were also studied.
文摘RE chlorophyll a complexes (RE=La, Ce, Eu and Y) were synthesized in acetone solution. The UV Vis and FTIR spectra of RE chlorophyll a, chlorophyll a and pheophytin a as well as MCD spectra of chlorophyll a, pheophytin a and La chlorophyll a were studied. Results show that Soret band splits, Q y(0→0) blue shifts, and the other Q band disappearance occurred in the UV Vis spectra of the RE chlorophyll a complexes. The FTIR spectra of the RE chlorophyll a complexes are similar to that of chlorophyll a, but are distinct from that of pheophytin a. These phenomena indicate that La 3+ , Ce 3+ , Eu 3+ , and Y 3+ coordinate to the porphyrin rings of pheophytin, and RE chlorophyll a complexes are formed. MCD spectrum of La chlorophyll a shows the special bands in Soret band region, which indicated that La chlorophyll a are sandwich structure porphyrin complexes.
文摘Our previous study reported the influences of different complexing agents on electroless nickel （EN） by examining the properties of the deposits. In the present work, the effects of four common-used complexing agents on EN deposition rate and the stability of solution pH values were examined, either with an acetic pH buffer agent or absent of them. It is indicated that the pH buffeting effect of them is dominative when the EN solution is lack of the pH buffer. Under this situation, the EN deposition rate increases with the concentration of complexing agents increasing. The EN deposition rate decreases with fin＇ther adding the complexing agent when the solution already has enough pH buffer capability. Electrochemical impedance spectroscopy obtained during EN deposition illustrates that, in this case, the enhanced reaction resistance is the main reason for a lower deposition rate. However, the influence of polarization caused by mass transfer is not negligible at high complex ratio for sodium citrate and malic acid EN solutions.
基金Supported by the National Natural Science F oundation of China( No. 2 97710 2 5 )
文摘The complete experimental IR spectra and vibrational analysis of the title complex Co(mnt)(dmbpy) were reported in this paper. The results show that the complex molecule has a planar geometry belonging to point group C 2v and ground electronic state with spin quartet. A new method for analyzing vibrational spectra of complicated molecule is established. The essential of this method is to point out main fixed points and pivotal vibrational units in assignment for each fundamental band. Two new symbols η (heaving along the specified direction) and M (midpoint of a bond or unit) were defined for describing the vibrational modes accurately.
基金the Fund of Hunan Provincial Natural Science Foundation of China (No. 11JJ9006)Science and Technology Committee of Hunan Province (2012WK3029, 2012GK3031, 2011FJ3037)
文摘The three-dimensional framework copper（Ⅱ） coordination polymer with basic copper carbonate and 3-（pyridin-2-yl）-1,2,4-triazole has been hydrothermally synthesized. It crystallizes in monoclinic space group P21/c, with a = 1.20860（3）, b = 1.29581（2）, c = 1.67863（3） nm, β = 116.0280（2）°, C21H12Cu3N12, Mr = 623.05, V = 2.36230（9） nm3, Dc = 1.752 g/cm3, Z = 4, F（000） = 1236, GOOF = 1.037, the final R = 0.0408 and wR = 0.1141. Every unit cell contains three copper atoms and three 3-（pyridin-2-yl）-1,2,4-triazole ligands. Every central Cu（Ⅱ） ion is coordinated by four nitrogen atoms of the 3-（pyridin-2-yl）-1,2,4-triazole ligands, forming a distorted tetrahedron. The title complex exhibits an intense photoluminescence at room temperature with the maximum emission at 392 nm. The cyclic voltametric behavior of the complex shows that the electron transfer in electrolysis reaction is irreversible.
基金Supported by the National Natural Science Foundation of China (61174085, 61170270, 61121061)
文摘Based on the Games-Chan algorithm and StampMartin algorithm, this paper provides some new algorithms to compute the error linear complexity spectrum of binary 2n-periodic se- quences. These new algorithms are clearer and simpler than old algorithms, and they can quickly compute the error linear com- plexity spectrum of sequences according to different situations. We also discuss such algorithms and give some new results about linear complexity and error linear complexity of sequences.
基金Project supported by the National Natural Science Foundation of China (50973003)Anhui Science and Technology Program (090518026)+1 种基金Natural Science Foundation of Fuyang Normal College (2011CXY04,2009FSKJ04,2011HJJC02ZD,2011HJJC01ZD,2011HJJC05YB,2011HJJC04YB,2011HJJC03YB,2010FSKJ01ZD)Open fund of State Key Laboratory of Rare Earth Materials Chemistry and Applications (RE201101)
文摘The rare earth complexes Tb（o-BrBA）3,Tb（m-BrBA）3 and Tb（p-BrBA）3 were synthesized using o-,m-,p-bromo benzoic acids（2-bromo benzoic acid,3-bromo benzoic acid and 4-bromo benzoic acid） as ligand,respectively.The UV spectra showed that the absorption ability of Tb（m-BrBA）3 was the strongest.However,the fluorescent intensity of Tb（o-BrBA）3 was the weakest.The effect of the molecular structure,the energy level of Tb3＋ and energy transfer efficiency from ligands to Tb3＋ were discussed to explain the experimental results.The results indicated that,due to the large atomic radius of bromine,the steric effect caused by the different substitution bromine on the benzene ring might strongly affect the bond length formed by the coordination atoms and Tb3＋.The longer the bond length was,the lower the efficiency of energy transfer was,and the weaker the fluorescent intensity was.
基金Supported by the Jilin Province Science and Technology Development Plan Item(No.20140204080GX)the Project of the Education Department of Jilin Province,China(No.JJKH20180777KJ)the Science and Technology Development Projects of Siping City(No.2017057)
文摘The structure of a zinc（Ⅱ） coordination complex（1）, [C14 H10 N3 O5 Zn1.5]n or [Zn1.5（bzim）（pydc）（H2 O）]n（H2 pydc = pyridine-2,3-dicarboxylic acid, Hbzim = benzimidazole）, has been determined by X-ray crystallography and characterized by elemental analysis, IR spectrum and luminescence. Chemical formula： C14 H10 N3 O5 Zn1.5. It crystallizes in the monoclinic system, space group P21/c with a = 12.303（4）, b = 12.052（4）, c = 10.212（3） ？, β = 104.147（4）, V = 1468.3（8） ？3, Z = 4, Mr = 398.30, Dc = 1.802 g/cm3, F（000） = 800, μ = 2.501 mm-1 and S = 1.000. The 2-D network architecture of 1 is constructed from benzimidazole, zinc and pyridine-2,3-dicarboxylic acid. The quantum-chemical calculations have been performed on ‘molecular fragments’ extracted from the crystal structure using the B3 LYP method in Gaussian 09. The luminescence spectrum shows that complex 1 emits blue luminescence.
文摘Fifteen M(S2COR)n complexes were prepared.According to the data provided by IR,UV-Vis absorption spectrometry and X-ray diffraction,this paper covers the relationship between molecular structures of xanthate complexes and their absorption spectra and a criterion of chelate stability is also proposed.The stability mechanism of xanthate chelates and related rules were investigated.
基金Supported by the Science and Technology Foundation of Jiangxi Provincial Department of Education (No. (2007)348)the Key Laboratory of Non-ferrous Metal Materials and New Processing Technologythe Young Science Foundation of Guangxi Province (No. 0832085)
文摘The copper（II） compound [Cu（Brzhama）（DMF）]2 （C22H24Br4Cu2N4O10S2, Br2hamaH2 = [（3,5-dibromo-2-hydroxybenzylidene）-amino]-methanesulfonic acid, DMF = N,N＇-dimethylformamide） 1 crystallizes in trictinic, space group P1 with a = 8.477（2）, b = 10.164（2）, c = 10.671（2）A, α= 112.66（3）, β = 104.33（3）, γ = 96.67（3）°, Z = 1, and R = 0.0789 for 1823 observed reflections with I 〉 2σ（I）. The centrosymmetric molecule comprises a pair of copper atoms connected by two anions of [（3,5-dibromo-2-hydroxybenzylidene）-amino]-methanesulfonic acid in a tetradentate coordination mode. The five-coordination of copper（II） is further completed by DME The complex forms a 1-D chain through C-H…π hydrogen bonds. The Cu^II…Cu^II distance is 4.937（1） A.
基金Joint Seismological Science Foundation of China (104027 and 102025).
文摘The ProP waveform data obtained from a deep seismic sounding profile, which ran through Zhangbei seismic region, were processed by means of both seismic wave complexity coefficient and frequency spectrum analysis methods, and the complexity characteristics of crest-mantle boundary beneath the studied area and its adjacent region were determined. The results show that the place below epicenter can be taken as boundary, the northern side of which is Inner Mongolia axis with small complexity coefficient and the southern side of which is Huai＇an basin with large complexity coefficient. The different spectrum patterns at the two sides of the epicenter were inferred from spectrum analysis. In the epicentral area, there have been multi-period magmatic eruptions since Meso-Cenozoic and craters exist at the surface. From the velocity imaging of middle and upper crust in Zhangbei seismic region it can be found that there are crustal low velocity bodies around the craters and also there are low velocity zones, which went into deep crust. It is suggested that the distinct zones of crust-mantle boundary complexity may be the margin, where the magma had intruded due to magma activity in Meso-Cenozoic. The southern side with large complexity coefficient is deep magmatic activity area and the northern side with small complexity coefficient is stable crust-mantle tectonics. The difference of crust-mantle complexity provides deep background for the development of strong earthquake.
基金Natural Science Foundation of China under Grant Nos.51478440 and 51108429National Key Technology R&D Program under Grant No.2012BAK15B01
文摘A new response-spectrum mode superposition method, entirely in real value form, is developed to analyze the maximum structural response under earthquake ground motion for generally damped linear systems with repeated eigenvalues and defective eigenvectors. This algorithm has clear physical concepts and is similar to the complex complete quadratic combination （CCQC） method previously established. Since it can consider the effect of repeated eigenvalues, it is called the CCQC-R method, in which the correlation coefficients of high-order modal responses are enclosed in addition to the correlation coefficients in the normal CCQC method. As a result, the formulas for calculating the correlation coefficients of high-order modal responses are deduced in this study, including displacement, velocity and velocity-displacement correlation coefficients. Furthermore, the relationship between high-order displacement and velocity covariance is derived to make the CCQC-R algorithm only relevant to the high-order displacement response spectrum. Finally, a practical step-by-step integration procedure for calculating high-order displacement response spectrum is obtained by changing the earthquake ground motion input, which is evaluated by comparing it to the theory solution under the sine-wave input. The method derived here is suitable for generally linear systems with classical or non-classical damping.
文摘Lanthanum coordination compound with l-alanine[La<sub>2</sub>（ala）<sub>4</sub>（H<sub>2</sub>O）<sub>8</sub>]·（ClO<sub>4</sub>）<sub>6</sub>（ala=l-alanine） was synthesized by reaction of lanthanum perchlorate with l-alanine in aqueous solution and obtained in the form of single crystals.The X-ray crystal structure has been determined and the IR spectrum has been studied.The title compound Cl<sub>6</sub>La<sub>2</sub>C<sub>1</sub>2H<sub>4</sub>4O<sub>4</sub>0N<sub>4</sub>,M<sub>r</sub>=1375.2,crystallizes in the triclinic,space group P1 , with parameters: a= 11.227（3）,b=11.445（2）,c=11.014（3）,α=114.46（2）,β=114.51（2）,γ=78.62（2）°,V=1171.73,Z=1,Dc=1.95 g/cm￣3,F（000）=680,μ=22.9 cm￣-1（MoKα）.The final R=0.050,R<sub>ω</sub>=0.051.In the crystal,two lanthanum ions are coordinated by four alanine molecules via four carboxylate bridges to form a dinuclear coordination compound.Four water molecules are coordinated to each lanthanum ion. There is a symmetric centre between the two lanthanum ions.The IR spectrum of the coordination compound and the relationship between the IR spectrum and the structure have been studied.The mechanism of the configuration inversion of alanine has been proposed.
