SDP reformulation for robust optimization problems based on nonconvex QP duality

In a real situation, optimization problems often involve uncertain parameters. Robust optimization is one of distribution-free methodologies based on worst-case analyses for handling such problems. In this paper, we first focus on a special class of uncertain linear programs (LPs). Applying the duality theory for nonconvex quadratic programs (QPs), we reformulate the robust counterpart as a semidefinite program (SDP) and show the equivalence property under mild assumptions. We also apply the same technique to the uncertain second-order cone programs (SOCPs) with “single” (not side-wise) ellipsoidal uncertainty. Then we derive similar results on the reformulation and the equivalence property. In the numerical experiments, we solve some test problems to demonstrate the efficiency of our reformulation approach. Especially, we compare our approach with another recent method based on Hildebrand’s Lorentz positivity.     

Asymmetric total synthesis of (+)-danicalipin A

A convergent asymmetric total synthesis of (+)-danicalipin A is accomplished, in which two chlorinated fragments are stereoselectively joined by 1,3-dipolar coupling, leading to the confirmation of the absolute configuration of the natural product.     

Excited-state geometries and vibrational frequencies studied using the analytical energy gradients of the direct symmetry-adapted cluster-configuration interaction method. I. HAX-type molecules

In this series of studies, we systematically apply the analytical energy gradients of the direct symmetry-adapted cluster-configuration interaction singles and doubles nonvariational method to calculate the equilibrium geometries and vibrational frequencies of excited and ionized states of molecules. The harmonic vibrational frequencies were calculated using the second derivatives numerically computed from the analytical first derivatives and the anharmonicity was evaluated from the three-dimensional potential energy surfaces around the local minima. In this paper, the method is applied to the low-lying valence singlet and triplet excited states of HAX-type molecules, HCF, HCCl, HSiF, HSiCl, HNO, HPO, and their deuterium isotopomers. The vibrational level emission spectra of HSiF and DSiF and absorption spectra of HSiCl and DSiCl were also simulated within the Franck-Condon approximation and agree well with the experimental spectra. The results show that the present method is useful and reliable for calculating these quantities and spectra. The change in geometry in the excited states was qualitatively interpreted in the light of the electrostatic force theory. The effect of perturbation selection with the localized molecular orbitals on the geometrical parameters and harmonic vibrational frequencies is also discussed.     

Photochemical monoalkylation of propanedinitrile by electron-rich alkenes

The synthesis of monoalkylated propanedinitriles was achieved upon photoirradiation of MeCN/H(2)O solutions containing propanedinitrile (1; malononitrile) and electron-rich alkenes in the presence of lithium carbonate and a catalytic amount of 9-cyanophenanthrene or redox-type photosensitizers (electron-mediating photosensitizers), through regioselective anti-Markovnikov photochemical polar addition of 1 into electron-rich alkenes. With 2,5-dimethyl-2,4-hexadiene (2g) as an electron-rich alkene, propanedinitrile-incorporated dimer 4g was obtained.     

Measurement of the change in the partial molar volume during electrode reaction by gravity electrode—I. Theoretical examination

Gravity electrode is an electrode system, which is operated in a high gravity field arising from centrifugal force, and allows us to measure the change in the partial molar volume between product and reactant ions in an electrode reaction. In this paper, in the presence of a large amount of supporting electrolyte, the partial molar volume of each active ion in equilibrium state is first formulated on the basis of thermodynamics. Then, the change in the partial molar volume applicable to gravity electrode is derived. Therefore, it is possible to validate the equation obtained for gravity electrode by the thermodynamic measurement.     

Photochromic one-dimensional nanostructures based on dithienylethene: fabrication by light-induced precipitation and reversible transformation in the nanoparticle state

A convenient protocol has been developed to fabricate one-dimensional nanostructures of a photochromic molecule cis-l,2-dicyano-l,2-bis(2,4,5-trimethyl-3-thieny1)ethene (CMTE). Light-induced self-assembled nanorods and nanowires of the colored form were obtained in situ under UV light irradiation in aqueous dispersion and redissolved under green light. Reversible and fatigue-resistant optical switching in the nanoparticle state was demonstrated.     

Therapeutic targets in the ASK1-dependent stress signaling pathways

Apoptosis signal-regulating kinase 1 (ASK1) is a member of the mitogen-activated protein kinase kinase kinase (MAP3K) family that activates downstream MAP kinases (MAPKs), c-Jun N-terminal kinases (JNKs) and p38 MAPKs, in response to various stresses, such as reactive oxygen species (ROS), endoplasmic reticulum (ER) stress, lipopolysaccharide, and calcium overload. Activation of the JNK and p38 pathways induces stress responses such as cell death, differentiation, and the production of inflammatory cytokines. A series of studies using ASK1-deficient mice have indicated that ASK1 plays important roles in many stress-related diseases, including cardiovascular and neurodegenerative diseases, suggesting that small compounds that inhibit ASK1 activity could possibly be used for the amelioration of the development and/or progression of these diseases. In this review, we provide an overview of the pathophysiological roles of ASK1-dependent signaling pathways and discuss the mechanistic basis for how these could serve as potential therapeutic targets.