Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT study

We present the first time-dependent density-functional theory (TDDFT) calculation on a light harvesting triad carotenoid-diaryl-porphyrin-C60. Besides the numerical challenge that the ab initio study of the electronic structure of such a large system presents, we show that TDDFT is able to provide an accurate description of the excited state properties of the system. In particular we calculate the photo-absorption spectrum of the supra-molecular assembly, and we provide an interpretation of the photo-excitation mechanism in terms of the properties of the component moieties. The spectrum is in good agreement with experimental data, and provides useful insight on the photo-induced charge transfer mechanism which characterizes the system.Comment: Accepted for publication on JPC, March 09th 200

Synthesis, characterization and thermal decomposition of M1[M2(C2O4)2].xH2O (x=5 for M1=Co and x=4 for M1=Cd;M2=Ni

Cobalt bis(oxalato)nickelate pentahydrate, Co[Ni(C2O4)2]×5H2O and cadmium bis(oxalato)nickelate tetrahydrate, Cd[Ni(C2O4)2]×4H2O have been synthesized and characterized by elemental analysis, reflectance and IR spectral studies. Thermal decomposition studies (TG, DTG and DTA ) in air showed that both the compound of cobalt and cadmium produced the oxide, MNiOx (x=3 for M=Co; x=2 for M=Cd ) at 325 and 360°C respectively. DSC studies in nitrogen attributed only the mixture of both the metal at the end

Attenuation of coda waves in the Northeastern Region of India

Coda wave attenuation quality factor Qc is estimated in the northeastern region of India using 45 local earthquakes recorded by regional seismic network. The quality factor Qc was estimated using the single backscattering model modified by Sato (J Phys Earth 25:27–41, 1977), in the frequency range 1–18 Hz. The attenuation and frequency dependence for different paths and the correlation of the results with geotectonics of the region are described in this paper. A total of 3,890 Qc measurements covering 187 varying paths are made for different lapse time window of 20, 30, 40, 50, 60, 70, 80, and 90 s in coda wave. The magnitudes of the analyzed events range from 1.2 to 3.9 and focal depths range between 7 and 38 km. The source–receiver distances of the selected events range between 16 and 270 km. For 30-s duration, the mean values of the estimated Qc vary from 50 ± 12 (at 1 Hz) to 2,078 ± 211(at 18 Hz) for the Arunachal Himalaya, 49 ± 14 (at 1 Hz) to 2,466 ± 197 (at 18 Hz) for the Indo-Burman, and 45 ± 13 (at 1 Hz) to 2,069 ± 198 (at 18 Hz) for Shillong group of earthquakes. It is observed that Qc increases with frequency portraying an average attenuation relation Qc = 52.315 ± 1.07 f (1.32±0.036) for the region. Moreover, the pattern of Qc−1 with frequency is analogous to the estimates obtained in other tectonic areas in the world, except with the observation that the Qc−1 is much higher at 1Hz for the northeastern region. The Qc−1 is about 10−1.8 at 1 Hz and decreases to about 10−3.6 at 18 Hz indicating clear frequency dependence. Pertaining to the spatial distribution of Qc values, Mikir Hills and western part of Shillong Plateau are characterized by lower attenuation

Attenuation of coda waves in the Northeastern Region of India

Coda wave attenuation quality factor Qc is estimated in the northeastern region of India using 45 local earthquakes recorded by regional seismic network. The quality factor Qc was estimated using the single backscattering model modified by Sato (J Phys Earth 25:27–41, 1977), in the frequency range 1–18 Hz. The attenuation and frequency dependence for different paths and the correlation of the results with geotectonics of the region are described in this paper. A total of 3,890 Qc measurements covering 187 varying paths are made for different lapse time window of 20, 30, 40, 50, 60, 70, 80, and 90 s in coda wave. The magnitudes of the analyzed events range from 1.2 to 3.9 and focal depths range between 7 and 38 km. The source–receiver distances of the selected events range between 16 and 270 km. For 30-s duration, the mean values of the estimated Qc vary from 50 ± 12 (at 1 Hz) to 2,078 ± 211(at 18 Hz) for the Arunachal Himalaya, 49 ± 14 (at 1 Hz) to 2,466 ± 197 (at 18 Hz) for the Indo-Burman, and 45 ± 13 (at 1 Hz) to 2,069 ± 198 (at 18 Hz) for Shillong group of earthquakes. It is observed that Qc increases with frequency portraying an average attenuation relation Qc = 52.315 ± 1.07 f (1.32±0.036) for the region. Moreover, the pattern of Qc−1 with frequency is analogous to the estimates obtained in other tectonic areas in the world, except with the observation that the Qc−1 is much higher at 1Hz for the northeastern region. The Qc−1 is about 10−1.8 at 1 Hz and decreases to about 10−3.6 at 18 Hz indicating clear frequency dependence. Pertaining to the spatial distribution of Qc values, Mikir Hills and western part of Shillong Plateau are characterized by lower attenuation

Potentilla fulgens Wall

ABSTRACT The paper highlights some of the most important Ayurvedic medicinal plants of North Eastern India having anticancer potential. A brief review of distribution and pharmacological study (both in vivo and in vitro) of ten Ayurvedic medicinal plants of the region published by various researchers is illustrated in this paper. The medicinal plants discussed here are Enhydra Fluctuans Lour (Sanskrit: Hilamochika), Ageratum conizoides Linn

Super congruences and Euler numbers

Let $p>3$ be a prime. We prove that $$\sum_{k=0}^{p-1}\binom{2k}{k}/2^k=(-1)^{(p-1)/2}-p^2E_{p-3} (mod p^3),$$ $$\sum_{k=1}^{(p-1)/2}\binom{2k}{k}/k=(-1)^{(p+1)/2}8/3*pE_{p-3} (mod p^2),$$ $$\sum_{k=0}^{(p-1)/2}\binom{2k}{k}^2/16^k=(-1)^{(p-1)/2}+p^2E_{p-3} (mod p^3)$$, where E_0,E_1,E_2,... are Euler numbers. Our new approach is of combinatorial nature. We also formulate many conjectures concerning super congruences and relate most of them to Euler numbers or Bernoulli numbers. Motivated by our investigation of super congruences, we also raise a conjecture on 7 new series for $\pi^2$, $\pi^{-2}$ and the constant $K:=\sum_{k>0}(k/3)/k^2$ (with (-) the Jacobi symbol), two of which are $$\sum_{k=1}^\infty(10k-3)8^k/(k^3\binom{2k}{k}^2\binom{3k}{k})=\pi^2/2$$ and $$\sum_{k>0}(15k-4)(-27)^{k-1}/(k^3\binom{2k}{k}^2\binom{3k}k)=K.$