A limit on the lepton-family number violating process π → μe

A FNAL E799 Collaboration has carried out a search for the lepton-family number violating decay π⁰ → μ^±e using π⁰'s produced from K_L → π⁰π⁰π⁰ decays in flight. No events were observed. Assuming that lepton-family number violation is charge independent, the 90% confidence level upper limit on

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was determined to be 8.6 × 10⁻⁹.     

S3O2--an unusual structure with pi*-pi* interaction

The structures and relative stabilities of 15 S3O2 isomers have been investigated by G3X(MP2), CCSD(T)/aug-cc-pVTZ and MRCI/CASSCF calculations. The global energy minimum is a three-membered sulfur ring with two adjacent sulfoxide groups in a trans conformation, i.e. a vic-disulfoxide of C2 symmetry. The SS bond lengths are 2.136 (2x) and 2.354 angstroms at the CCSD(T)/cc-pVTZ level of theory. There is a strong interaction between the pi* orbitals of the two S=O moieties both in the trans and in the almost degenerate cis conformer. The corresponding chain-like singlet and triplet isomers of connectivity OSSSO lie close in energy (ca. 67 kJ mol(-1)) while five-membered and branched four-membered rings are significantly less stable. The structure of S3O2 is in contrast to that of the isoelectronic analogue S5, which exists as a five-membered twisted heterocycle.     

Development of an on-line immobilized-enzyme reversed-phase HPLC method for protein digestion and peptide separation

This paper describes use of a novel glass bead-based immobilized-enzyme micro column for simple and swift on-line protein digestion then peptide separation by reversed-phase HPLC. The inexpensive and easily made immobilized-enzyme micro column was prepared from aminopropyl controlled-pore glass that was reacted first with glutaraldehyde then with trypsin in the presence of phosphate buffer. Tryptic digestion of bovine serum albumin (BSA) was achieved simply by passing pretreated protein solution through the laboratory made immobilized-trypsin column; the tryptic fragments were then separated by reversed-phase HPLC. The peptide separation was found to be identical to separation of a sample which had undergone conventional enzymatic protein digestion in solution. Digestion of BSA by the immobilized-trypsin column decreased with increasing flow rate of the solution through the column, and 1.0 μL min⁻¹ was found to be the optimum flow rate for on-line protein digestion with our system. It was also found that the sample required pretreatment with urea before injection, because of a change in the properties of the protein in the presence of urea, and the immobilized-trypsin column lost its function in the presence of acetonitrile. This on-line proteomics system enables simple and rapid protein digestion and was successfully applied to partially micro two-dimensional (2D) chromatographic separation of proteins.     

Optimization in Solvent Selection for Chlorin e6 in Photodynamic Therapy

The photophysical properties of chlorin e6 (Ce6) in twelve different protic, aprotic and non-polar solvents were investigated using ultraviolet–visible and fluorescence spectroscopic methods. Solvatochromic effects were determined by the changes in quantum yield, Stokes shift, fluorescence half-life and excited state dipole moments of Ce6 in the different solvents. The absorption shifts observed in different solvents were further analyzed using the Kamlet-Abboud-Taft model and the nature of solute-solvent interactions between Ce6 and different protic and aprotic solvents was elucidated. The quantum yields were found highest in protic solvents (except water), followed by aprotic and non-polar solvents. Solvent polarity parameters showed a linear increasing trend with Stokes shift and fluorescence half-life, which indicated the presence of Ce6-solvent interaction. Using the Kamlet-Abboud-Taft model, a direct correlation between the solvent polarity parameters and absorption shift was observed, which substantiated the existence of Ce6-solvent interaction by hydrogen bond formation. The excited state dipole moments in specific protic and aprotic solvents were found to be higher than the ground state dipole moments, implying a more polar nature of Ce6 during excited state transition.     

Parrondo’s paradox and complementary Parrondo processes

Parrondo’s Paradox has gained a fair amount of attention due to it being counter-intuitive. Given two stochastic processes, both of which are losing in nature, it is possible to have an overall net increase in capital by periodically or randomly alternating between the two processes. In this paper, we analyze the paradox with a different approach, in which we start with one process and seek to derive its complementary process. We will also state the conditions required for this to occur. Possible applications of our results include the development of future models based on the paradox.     

Modeling halogen bonding with planewave density functional theory: Accuracy and challenges

Inspired by the recent interest of halogen bonding (XB) in the solid state, we detail a comprehensive benchmark study of planewave DFT geometry and interaction energy of lone-pair (LP) type and aromatic (AR) type halogen bonded complexes, using PAW and USPP pseudopotentials. For LP-type XB dimers, PBE-PAW generally agrees with PBE/aug-cc-pVQZ(−pp) geometries but significantly overbinds compared to CCSD(T)/aug-cc-pVQZ(-pp). Grimme's D3 dispersion corrections to PBE-PAW gives better agreement to the MP2/cc-pVTZ(-pp) results for AR-type dimers. For interaction energies, PBE-PAW may overbind or underbind for weaker XBs but clearly overbinds for stronger XBs. D3 dispersion corrections exacerbate the overbinding problem for LP-type complexes but significantly improves agreement for AR-type complexes compared to CCSD(T)/CBS. Finally, for periodic XB crystals, planewave PBE methods slightly underestimate the XB lengths by 0.03 to 0.05 Å. © 2019 Wiley Periodicals, Inc.     

Search for lepton-flavor-violating decays of the neutral kaon

The Fermilab KTeV experiment has searched for lepton-flavor-violating decays of the K(L) meson in three decay modes. We observe no events in the signal region for any of the modes studied, and we set the following upper limits for their branching ratios at the 90% C.L.: BR(K(L) --> pi(0) micro(+/-) e(-/+)) <7.6 x 10(-11); BR(K(L) --> pi(0)pi(0) micro(+/-) e(-/+)) <1.7 x 10(-10); BR(pi(0) --> micro(+/-) e(-/+)) <3.6 x 10(-10). This result represents a factor of 82 improvement in the branching ratio limit for K(L) --> pi(0) micro(+/-) e(-/+) and is the first reported limit for K(L) --> pi(0)pi(0) micro(+/-) e(-/+).     

Diagonal quasi-Newton methods via least change updating principle with weighted Frobenius norm

Numerical Algorithms - This paper presents a class of low memory quasi-Newton methods with standard backtracking line search for large-scale unconstrained minimization. The methods are derived by...     

From Spherical to Leaf‐Like Morphologies: Tunable Supramolecular Assembly of Alkynylgold(I) Complexes through Variations of the Alkyl Chain Length

A series of luminescent polynuclear alkynylgold(I) complexes with different lengths of alkyl chains attached at the N‐heterocyclic carbene moieties has been synthesised and demonstrated to display intriguing self‐assembly behaviours through a cooperative growth mechanism. Variation of the alkyl chain length was found to cause drastic morphological differences in the aggregates and to strongly affect the thermodynamic parameters as revealed by the nucleation–elongation model.