Finite-temperature time-dependent variation with multiple Davydov states

The Dirac-Frenkel time-dependent variational approach with Davydov Ans\"atze is a sophisticated, yet efficient technique to obtain an acuurate solution to many-body Schr\"odinger equations for energy and charge transfer dy- namics in molecular aggregates and light-harvesting complexes. We extend this variational approach to finite temperatures dynamics of the spin-boson model by adopting a Monte Carlo importance sampling method. In or- der to demonstrate the applicability of this approach, we compare real-time quantum dynamics of the spin-boson model calculated with that from numerically exact iterative quasiadiabatic propagator path integral (QUAPI) technique. The comparison shows that our variational approach with the single Davydov Ans\"atze is in excellent agreement with the QUAPI method at high temperatures, while the two differ at low temperatures. Accuracy in dynamics calculations employing a multitude of Davydov trial states is found to improve substantially over the single Davydov Ansatz, especially at low temperatures. At a moderate computational cost, our variational approach with the multiple Davydov Ansatz is shown to provide accurate spin-boson dynamics over a wide range of temperatures and bath spectral densities.Comment: 8 pages, 3 figure

Keterkaitan Lembaga Keuangan Mikro (LKM), Usaha Mikro dan Kecil (UMK) Serta Kemiskinan di Indonesia Tahun 2012

One approach to reduce poverty is through microfinance, as a source of flexible financing for micro and small enterprises (UMK). This study aims to determine the relationshipbetween BPR, UMK and poverty in Indonesia 2012. This study used secondary data from 33 provinces with descriptive analysis and path analysis method. The results shows that the presence of BPR and UMK can help poverty alleviation. The influence of BPR will stronger in poverty reduction when working through of UMK

Large-Scale Fermentation of E. Coli for the Production of High-Purity Isoprene

We present a process for the production of isoprene via the fermentation of glucose. Based on our current specifications, we conclude that the use of recombinant E.coli for the fermentation of glucose is a novel yet unprofitable venture. Our current design entails the continuous production of isoprene using 3 pre-seed, 3 seed, and 5 production fermenters each with a production fermentation time of 72 hours. Our scheduling of the fermenters allowed us to produce isoprene continuously at a steady rate, and the liquid by-products of the fermentation were removed and sterilized at the end of each batch. Isoprene was mainly present in the vapor phase during the fermentation and was purified using a combination of an absorption using ISOPAR v, stripping with steam, and separation using a flash vessel. It was desired that the fermentation was operated near the minimum oxygen concentration (MOC) as such conditions allowed for the highest production rate of isoprene based on the preliminary studies done by Chotani in their patent. The fermentation was operated at 34 °C and 1.7 bar with glucose and oxygen as the reactants producing isoprene, carbon dioxide, and water as the products. The results of our design suggest that the price of isoprene is too low when compared to the costs of raw materials, making this process economically unfeasible under present market conditions. We project that $4.08 worth of glucose will be need for each pound of isoprene which currently goes for$0.79/lb. Additionally, the metabolic pathway of isoprene is highly exothermic, requiring large utility requirements in terms of chilled water to remove heat from the fermenters. We are unsure of impacts of rapidly changing the temperature of E.Coli on production as there is no data regarding the robustness of the strain. Overall, the fixed capitals costs incurred make this process even more unappealing for further consideration

Do Kepler superflare stars really include slowly-rotating Sun-like stars ? - Results using APO 3.5m telescope spectroscopic observations and Gaia-DR2 data -

We report the latest view of Kepler solar-type (G-type main-sequence) superflare stars, including recent updates with Apache Point Observatory (APO) 3.5m telescope spectroscopic observations and Gaia-DR2 data. First, we newly conducted APO3.5m spectroscopic observations of 18 superflare stars found from Kepler 1-min time cadence data. More than half (43 stars) are confirmed to be "single" stars, among 64 superflare stars in total that have been spectroscopically investigated so far in this APO3.5m and our previous Subaru/HDS observations. The measurements of $v\sin i$ (projected rotational velocity) and chromospheric lines (Ca II H\&K and Ca II 8542\AA) support the brightness variation of superflare stars is caused by the rotation of a star with large starspots. We then investigated the statistical properties of Kepler solar-type superflare stars by incorporating Gaia-DR2 stellar radius estimates. As a result, the maximum superflare energy continuously decreases as the rotation period $P_{\mathrm{rot}}$ increases. Superflares with energies $\lesssim 5\times10^{34}$ erg occur on old, slowly-rotating Sun-like stars ($P_{\mathrm{rot}}\sim$25 days) approximately once every 2000--3000 years, while young rapidly-rotating stars with $P_{\mathrm{rot}}\sim$ a few days have superflares up to $10^{36}$ erg. The maximum starspot area does not depend on the rotation period when the star is young, but as the rotation slows down, it starts to steeply decrease at $P_{\mathrm{rot}}\gtrsim$12 days for Sun-like stars. These two decreasing trends are consistent since the magnetic energy stored around starspots explains the flare energy, but other factors like spot magnetic structure should also be considered.Comment: 71 pages, 31 figures, 10 tables. Accepted for publication in The Astrophysical Journal (on March 29, 2019

Development of Continuous Flow Sonogashira Coupling of lead Anti-Cancer Small Molecule Inhibitors for Potential Treatment of Acute Myeloid Leukemia

As the technology for science develops, the research strategy in medicines and therapeutics also improves. In this paper, I will cover the process of Sonogashira cross-coupling and Amide Coupling reaction for an anticancer agent in both batch and flow chemistry. Continuous Flow Chemistry has advantages such as being more efficient, safer, and faster. This paper studies the synthesis of HSNO608, an anticancer lead compound for Acute Myeloid Leukemia (AML), which has a specific potent activity to FTL3 Kinase. Inhibition of FLT3 Kinase leads to inhibition of downstream pathways such as MPK and P13K pathways. In this two-step experiment, the Sonogashira cross-coupling reaction is a crucial step in the flow process. For the amidation reaction, it favored high retention time and low temperatures. For the Sonogashira cross-coupling reactions, different types of Palladium Catalyst and Copper Co-catalyst were screened. The best catalyst found was PdCl2(MeCN)2 with the ligand of [(t-Bu)3PH]BF4 giving us a yield of 88% with high loading (%10) of Copper and Pd catalyst. This condition was further optimized to reduce the catalyst loading to 1%. In conclusion, we were able to optimize and create methods to synthesize lead medicinal compounds. In the future, this approach could be applied to other anticancer targets and other medicinal chemical targets

Palladium nanoparticles from desulfovibrio alaskensis G20 catalyze biocompatible sonogashira and biohydrogenation cascades

[Image: see text] Transition-metal nanoparticles produced by living bacteria are emerging as novel catalysts for sustainable synthesis. However, the scope of their catalytic activity and their ability to be integrated within metabolic pathways for the bioproduction of non-natural small molecules has been underexplored. Herein we report that Pd nanoparticles synthesized by the sulfate-reducing bacterium Desulfovibrio alaskensis G20 (DaPdNPs) catalyze the Sonogashira coupling of phenyl acetylenes and aryl iodides, and the subsequent one-pot hydrogenation to bibenzyl derivatives using hydrogen gas generated from d-glucose by engineered Escherichia coli DD-2. The formal hydroarylation reaction is biocompatible, occurs in aqueous media at ambient temperature, and affords products in 70–99% overall yield. This is the first reported microbial nanoparticle to catalyze the Sonogashira reaction and the first demonstration that these biogenic catalysts can be interfaced with the products of engineered metabolism for small molecule synthesis