Embedded-deep-learning-based sample-to-answer device for on-site malaria diagnosis.

Improvements in digital microscopy are critical for the development of a malaria diagnosis method that is accurate at the cellular level and exhibits satisfactory clinical performance. Digital microscopy can be enhanced by improving deep learning algorithms and achieving consistent staining results. In this study, a novel miLab™ device incorporating the solid hydrogel staining method was proposed for consistent blood film preparation, eliminating the use of complex equipment and liquid reagent maintenance.

Three-in-One Strategy to Improve Both Catalytic Activity and Selectivity: Nonconcentric Pd-Au Nanoparticles.

In direct HO synthesis, the Pd-Au alloy was considered as a potential catalyst because of its much better performance compared to the prototype Pd; unfortunately, achieving both high activity and selectivity remains a challenge. Here, we synthesized nonconcentric Pd-Au NPs in which Au domain shells are formed only partially on Pd domain cores and tested them for direct HO synthesis. It has three exposed regions of Pd, Au domains, and Pd-Au interfaces in a single NP (hence, a 3-in-1 strategy).

Atomistic Insights into HO Direct Synthesis of Ni-Pt Nanoparticle Catalysts under Water Solvents by Reactive Molecular Dynamics Simulations.

In computational catalysis, density-functional theory (DFT) calculations are usually utilized, although they suffer from high computational costs. Thus, it would be challenging to explicitly predict the catalytic properties of nanoparticles (NPs) at the nanoscale under solvents. Using molecular dynamics (MD) simulations with a reactive force field (ReaxFF), we investigated the catalytic performance of Ni-Pt NPs for the direct synthesis of hydrogen peroxide (HO), in which water solvents were explicitly considered along with the effects of the sizes (1.

Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field.

To improve the description of a coordinate bond of the reactive force field (ReaxFF), we have developed ReaxFF by explicitly incorporating the coordinate bond contribution, , into the original ReaxFF ( Chenoweth et al. 2008 , 112 , 1040 - 1053 ), in which the auxiliary functions are newly suggested to describe the plug-in behavior of lone-pair electrons from a donor atom to a vacant orbital of an acceptor atom. To validate the developed ReaxFF, we tested it in various systems, including a representative coordinate bond-containing molecule, namely, carbon monoxide or ammonia borane.

Activity, Selectivity, and Durability of Ruthenium Nanoparticle Catalysts for Ammonia Synthesis by Reactive Molecular Dynamics Simulation: The Size Effect.

We report a molecular dynamics (MD) simulation employing the reactive force field (ReaxFF), developed from various first-principles calculations in this study, on ammonia (NH) synthesis from nitrogen (N) and hydrogen (H) gases over Ru nanoparticle (NP) catalysts. Using ReaxFF-MD simulations, we predict not only the activities and selectivities but also the durabilities of the nanocatalysts and discuss the size effect and process conditions (temperature and pressure). Among the NPs (diameter = 3, 4, 5, and 10 nm) considered in this study, the 4 nm NPs show the highest activity, in contrast to our intuition that the smallest NP should provide the highest activity, as it has the highest surface area.

Gastroprotective effects of the isopropanol extract of Artemisia princeps and its gastroretentive floating tablets on gastric mucosal injury.

In this study, we investigated the gastroprotective effect of an isopropanol extract from the aerial parts of Artemisia princeps (IPAP) and developed a gastroretentive floating tablet of IPAP (IPAP-FR) for maximized local gastroprotective effects. Pre-treatment with IPAP ameliorated the gastric mucosal hemorrhagic lesions in ethanol/HCl- or indomethacin- treated rats. IPAP decreased mucosal hemorrhage of gastric ulcers induced by ethanol or indomethacin plus pyloric ligation in rats.

Impact of the cation composition on the electrical performance of solution-processed zinc tin oxide thin-film transistors.

This study examined the structural, chemical, and electrical properties of solution-processed (Zn,Sn)O3 (ZTO) films with various Sn/[Zn+Sn] ratios for potential applications to large-area flat panel displays. ZTO films with a Zn-rich composition had a polycrystalline wurtzite structure. On the other hand, the Sn-rich ZTO films exhibited a rutile structure, where the Zn atom was speculated to replace the Sn site, thereby acting as an acceptor.

Photobias instability of high performance solution processed amorphous zinc tin oxide transistors.

The effects of the annealing temperature on the structural and chemical properties of soluble-processed zinc-tin-oxide (ZTO) films were examined by transmission electron microscopy, atomic force microscopy, high resolution X-ray reflectivity, and X-ray photoelectron spectroscopy. The density and purity of the resulting ZTO channel layer increased with increasing annealing temperature, whereas the oxygen vacancy defect density decreased. As a result, the device performance of soluble ZTO thin film transistors (TFTs) was improved at higher annealing temperature.

Discovery of potent, selective, and orally bioavailable PDE5 inhibitor: Methyl-4-(3-chloro-4-methoxybenzylamino)-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-ylmethylcarbamate (CKD 533).

In a continuing effort to discover novel PDE5 inhibitors, we have successfully found quinazolines with 4-benzylamino substitution as potent and selective PDE5 inhibitors. Initial lead compound (1) was found to be easily metabolized when incubated with human liver microsomes mainly through C6 amide hydrolysis. Blocking of this metabolic hot spot led to discovery of 10 (CKD533) which is highly potent, selective and orally efficacious in conscious rabbit model for erectile dysfunction and now is undergoing preclinical toxicology study.

Methano-ldinitrato[N-(2-pyridylmethyl-ene)aniline]copper(II).

The Cu atom in the title compound, [Cu(NO(3))(2)(C(12)H(10)N(2))(CH(3)OH)], adopts a square-pyramidal geometry, being ligated by two N atoms of the bidentate N-(2-pyridylmethyl-ene)-aniline (ppma) ligand, two O atoms of NO(3) ligands and one O atom of a methanol molecule, which occupies the apical position. The phenyl ring on the ppma ligand is twisted out of the pyridine plane, forming a dihedral angle of 42.9 (1)°.

Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction.

In an effort to minimize side effects associated with low selectivity against PDE isozymes, we have successfully identified a series of 6,7,8-substituted quinzaolines as potent inhibitors of PDE5 with high level of isozyme selectivity, especially against PDE6 and PDE11. PDE5 potency and isozyme selectivity of quinazolines were greatly improved with substitutions both at 6- and 8-position. The synthesis, structure-activity relationships and in vivo efficacy of this novel series of potent PDE5 inhibitors are described.

Design, synthesis, and antiangiogenic effects of a series of potent novel fumagillin analogues.

A series of fumagillin analogues containing the C6-substituted cinnamoyl moiety were designed, synthesized, and evaluated for antiangiogenic activity. Among them, 4-hydroxyethoxy-cinnamoyl fumagillol (4a) and 4-hydroxyethoxy-3,5-dimethoxycinnamoyl fumagillol (4d) exhibited more potent anti-proliferation activity in CPAE and HUVEC cells with low cytotoxicity in vitro. These compounds are presently under further pharmacological evaluation studies.

Enantiomers of higenamine inhibit LPS-induced iNOS in a macrophage cell line and improve the survival of mice with experimental endotoxemia.

The importance of development of single enantiomers (optically pure isomers) of chiral molecules has been recognized and manifested in countless pharmaceutical and biological advancement. (RS)-(+/-)-Higenamine (racemic mixture), an active ingredient of Aconite tuber, has been shown to have antioxidant activity along with inhibitory action of iNOS expression in various cells. In the present study, the effects of each enantiomer of higenamine [(S)-(-)-higenamine and (R)-(+)-higenamine] were investigated in comparison with the effects of racemic mixture [(RS)-(+/-)-higenamine] on iNOS expression and NO production in RAW 264.

Molecular design, synthesis, and hypoglycemic and hypolipidemic activities of novel pyrimidine derivatives having thiazolidinedione.

We previously reported the synthesis and biological activity of novel substituted pyridines and purines having thiazolidinedione with hypoglycemic and hypolipidemic activities. We now report the synthesis and antidiabetic activity of novel substituted pyrimidines having thiazolidinedione moiety. These compounds (entry No.

Synthesis and biological activity of novel substituted pyridines and purines containing 2,4-thiazolidinedione.

A series of substituted pyridines and purines containing 2,4-thiazolidinedione were designed and synthesized from their corresponding pyridines and purines. These synthesized compounds (entry no. 6a-d, 12a-e, 18a-d, 23a-c) were evaluated for their effect on triglyceride accumulation in 3T3-L1 cells in vitro and their hypoglycemic and hypolipidemic activity in the genetically diabetic KKA(y) mice in vivo.

5-Demethoxyfumagillol, a potent angiogenesis inhibitor isolated from Aspergillus fumigatus.

A novel angiogenesis inhibitor, 5-demethoxyfumagillol (1), was obtained by isolation, purification and saponification of cultured broth of Aspergillus fumigatus. The structure was assigned as (3R,4R,6R)-4-[(2R,3R)-2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-1-oxa-spiro[2,5]octan-6-ol (1) by spectroscopic analysis and confirmed by independent synthesis from fumagillol (3). In addition, 6-O-(chloroacetylcarbamoyl)-5-demethoxyfumagillol (7) showed a potential anti-angiogenic activity in CAPE cells in vitro.

Synthesis and antihyperglycemic activity of erythrose, ribose and substituted pyrrolidine containing thiazolidinedione derivatives.

A series of erythrose, ribose, and substituted pyrrolidine containing 2,4-thiazolidinediones were synthesized. Among them, thirteen unsaturated thiazolidinediones, six saturated thiazolidinediones and two unsaturated malonates were evaluated for their ability to enhance glucose utilization in cultured L6 myocytes. On the basis of the in vitro activity, 5-[4-[2-(1-benzyl-3,4-bis-benzyloxypyrrolidin-2-yl)ethoxy]benzylidene]thiazolidine-2,4-dione 24b was selected as the candidate for further pharmacological studies.

Palladium-Catalyzed Cross-Coupling of Organoboron Compounds with Iodonium Salts and Iodanes.

The palladium-catalyzed cross-coupling reaction of iodinanes (iodonium salts and iodanes) with organoboron compounds to form carbon-carbon bonds was achieved at ambient temperature under aqueous conditions in the absence of base. Coupling of phenylboronic acid with diphenyliodonium tetrafluoroborate in the presence of Pd(PPh(3))(4) (0.2 mol %) or Pd(OAc)(2) (0.