Devitrification properties of lead borate glasses

Lead borate glasses containing 30 to 60?mol% PbO were prepared by melt quenching technique and devitrified by long duration heat treament in the supercooled region. Glasses crystallized on heating above their glass transition temperature, and the crystalline phases produced on devitrification were characterized by XRD and DSC analyses. Glass with 30?mol% PbO slowly formed a solid solution of Pb₆B₁₀O₂₁ and Pb₅B₈O₁₇ crystalline phases, while glasses with 40 and 50?mol% PbO formed a mixture of Pb₆B₁₀O₂₁, Pb₅B₈O₁₇ and the remanent glassy phase. Glasses with higher PbO concentration of 56 to 60?mol% devitrified completely and produced only Pb₅B₈O₁₇ crystalline phase. Lead borate glasses with PbO concentration of 40 to 50?mol% showed maximum thermal stability against devitrification, the ease of crystallization of glasses was correlated with the fraction of tetrahedral borons in them.     

INVERSION OF ELECTRON TOMOGRAPHY IMAGES USING L^2-GRADIENT FLOWS -- COMPUTATIONAL METHODS

In this paper,we present a stable,reliable and robust method for reconstructing a three dimensional density function from a set of two dimensional electric tomo...     

Dimeric & Polymeric Chiral Schiff Base Complexes and Supported BINOL Complexes as Potential Recyclable Catalysts in Asymmetric Kinetic Resolution and C–C Bond Formation Reactions

This review is based on dimeric and polymeric chiral Schiff base metal complexes and chiral BINOL supported metal complexes as potential recyclable catalysts for kinetic resolution of racemic and meso epoxide and asymmetric C–C bond formation reactions e.g., asymmetric addition of diethylzinc to aldehydes, enantioselective addition of phenylacetylene to aldehydes, asymmetric nitro-Aldol reactions and asymmetric cyanation reaction.     

Dynamics of OH radical generation in laser-induced photodissociation of tetrahydropyran at 193 nm

Tetrahydropyran (THP) undergoes photodissociation on excitation with ArF laser at 193 nm, generating OH radical as one of the transient photoproducts. Laser-induced fluorescence technique is used to detect the nascent OH radical and measure its energy state distribution. The OH radical is formed mostly in the ground vibrational level (v"=0), with low rotational excitation. The rotational distribution of OH (v"=0,J) is characterized by a temperature of 433+/-31 K, corresponding to a rotational energy of 0.86+/-0.06 kcalmol. Two Lambda-doublet levels, 2Pi+(A') and 2Pi-(A"), and the two spin-orbit states, the 2Pi(3/2) and 2Pi(1/2), of OH are populated statistically for all rotational levels. The relative translational energy associated with the photoproducts in the OH channel is calculated to be 21.9+/-3.2 kcal mol(-1), from the Doppler-broadened linewidth, giving an ft value of approximately 43%, and most of the remaining 57% of the available energy is distributed in the internal modes of the other photofragment, C5H9. The observed distribution of the available energy is explained well, using a hybrid model of energy partitioning, with an exit barrier of 40 kcal mol(-1). The potential-energy surface of the reaction channel was mapped by ab initio molecular-orbital calculations. Based on experimental and theoretical results, a mechanism for OH formation is proposed. Electronically excited THP relaxes to the ground electronic state, and from there, a sequence of reactions takes place, generating OH. The proposed mechanism first involves C-O bond scission, followed by a 1,3 H atom migration to O atom, and finally, the C-OH bond cleavage giving OH.     

Asymmetric addition of trimethylsilylcyanide to N-benzylimines catalyzed by recyclable chiral dimeric V(V) salen complex

Chiral dimeric vanadium (V) salen complex (10 mol%) derived from 5,5-Methylene di-[(S,S)-{N-(3-tert-butyl salicylidine)-N′-(3′,5′-di-tert-butyl salicylidene)]-1,2-cyclohexanediamine] with vanadyl suphate followed by auto oxidation was used as efficient catalyst for enantioselective Strecker reaction of N-benzylimines with TMSCN at −30 °C. Excellent yield (92%) of α-aminonitrile and high chiral induction was achieved (ee up to 94%) in case of 2-methoxy substituted N-benzylimines in 10 h. The catalytic system worked well up to four cycles with retention of enantioselectivity.     

Molecular beam epitaxy grown long wavelength infrared HgCdTe on Si detector performance

The use of silicon as a substrate alternative to bulk CdZnTe for epitaxial growth of HgCdTe for infrared (IR) detector applications is attractive because of potential cost savings as a result of the large available sizes and the relatively low cost of silicon substrates. However, the potential benefits of silicon as a substrate have been difficult to realize because of the technical challenges of growing low defect density HgCdTe on silicon where the lattice mismatch is ∼19%. This is especially true for LWIR HgCdTe detectors where the performance can be limited by the high (∼5×10⁶ cm⁻²) dislocation density typically found in HgCdTe grown on silicon. We have fabricated a series of long wavelength infrared (LWIR) HgCdTe diodes and several LWIR focal plane arrays (FPAs) with HgCdTe grown on silicon substrates using MBE grown CdTe and CdSeTe buffer layers. The detector arrays were fabricated using Rockwell Scientific’s planar diode architecture. The diode and FPA and results at 78 K will be discussed in terms of the high dislocation density (∼5×10⁶ cm²) typically measured when HgCdTe is grown on silicon substrates.     

Topochemical models for prediction of anti-tumor activity of 3-aminopyrazoles

Relationship between topochemical indices and inhibition of CDK2/cyclin A by 3-aminopyrazoles was investigated using a data set comprising of 42 3-aminopyrazoles. Three topochemical indices--the Wiener's topochemical index--a distance based topochemical index, atomic molecular connectivity index--an adjacency based topochemical index and superadjacency topochemical index--an adjacency-cum-distance based topochemical index were used for the present investigations. The values of Wiener's topochemical index, atomic molecular connectivity index and superadjacency topochemical index for each of the 42 compounds comprising the data set were computed using an in-house computer program. Resultant data was subsequently analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each of the compounds using these models, which was then compared with the reported CDK2/cyclin A inhibitory activity. High accuracy of prediction ranging from 86 to 89% was observed using these models.     

13C-13C rotational resonance width distance measurements in uniformly 13C-labeled peptides

The rotational resonance width (R2W) experiment is a constant-time version of the rotational resonance (R2) experiment, in which the magnetization exchange is measured as a function of sample spinning frequency rather than the mixing time. The significant advantage of this experiment over conventional R2 is that both the dipolar coupling and the relaxation parameters can be independently and unambiguously extracted from the magnetization exchange profile. In this paper, we combine R2W with two-dimensional 13C-13C chemical shift correlation spectroscopy and demonstrate the utility of this technique for the site-specific measurement of multiple 13C-13C distances in uniformly labeled solids. The dipolar truncation effects, usually associated with distance measurements in uniformly labeled solids, are considerably attenuated in R2W experiments. Thus, R2W experiments are applicable to uniformly labeled biological systems. To validate this statement, multiple 13C-13C distances (in the range of 3-6 A) were determined in N-acetyl-[U-13C,15N]l-Val-l-Leu with an average precision of +/-0.5 A. Furthermore, the distance constraints extracted using a two-spin model agree well with the X-ray crystallographic data.