A5028909220- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Synthesis and characterization of novel inorganic/organometallic compounds
- Organometallic Complex Synthesis and Catalysis
- Organoboron and organosilicon chemistry
- Aortic aneurysm repair treatments
- Animal Virus Infections Studies
- Porphyrin and Phthalocyanine Chemistry
- Synthetic Organic Chemistry Methods
- Asymmetric Hydrogenation and Catalysis
- Organic Chemistry Cycloaddition Reactions
- Viral gastroenteritis research and epidemiology
- Virus-based gene therapy research
- Molecular spectroscopy and chirality
- Chemical Synthesis and Analysis
- Infectious Aortic and Vascular Conditions
- Molecular Sensors and Ion Detection
- Luminescence and Fluorescent Materials
- Vector-Borne Animal Diseases
- Chemical Synthesis and Reactions
- Photochemistry and Electron Transfer Studies
- Oxidative Organic Chemistry Reactions
- Peripheral Artery Disease Management
- Organophosphorus compounds synthesis
Toyohashi University of Technology
2015-2024
Tochigi Medical Center
2021-2024
Osaka City General Hospital
2017-2024
Nippon Medical School
2024
Tohoku University
2013-2023
Tokushima Municipal Hospital
2022-2023
Tohoku University Hospital
2008-2022
Kyushu University
2011-2022
International Drug Development
2021
Osaka City University Hospital
2020
The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, polymorphic former drug candidate, chloride salt hydrate, co-crystal and bulky flexible molecule. This seen substantial growth in the number participants, broad range giving unique insight into state art field. Significant progress treating molecules, usage hierarchical approaches to ranking structures, application density-functional...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCorner flapping: a simple and fast algorithm for exhaustive generation of ring conformationsHitoshi Goto Eiji OsawaCite this: J. Am. Chem. Soc. 1989, 111, 24, 8950–8951Publication Date (Print):November 1, 1989Publication History Published online1 May 2002Published inissue 1 November 1989https://pubs.acs.org/doi/10.1021/ja00206a046https://doi.org/10.1021/ja00206a046research-articleACS PublicationsRequest reuse permissionsArticle...
A set of strategies for exhaustively finding low-energy conformers cyclic, acyclic or alicyclic molecules is presented. Starting from any conformation, local perturbation systematically applied to all the flexible portions molecule in question produce candidates new conformation. The perturbations consist flapping and/or flipping endocyclic bonds and stepwise rotation bonds. conformations they produced are believed lie close initial geometry conformational space. global energy minimum (GEM)...
A facile, highly stereo- and regioselective hydrometalation of alkynes generating alkenylmetal complex is disclosed for the first time from a reaction alkyne, carboxylic acid, zerovalent group 10 transition metal M(PEt3)4 (M = Ni, Pd, Pt). mechanistic study showed that does not proceed via alkyne with hydridometal generated by protonation acid Pt(PEt3)4, but proceeds an coordinate acid. This finding clarifies long proposed mechanism operates generation alkenylpalladium intermediate...
We have systematically characterized gene expression patterns in 49 adult and embryonic mouse tissues by using cDNA microarrays with 18,816 cDNAs. Cluster analysis defined sets of genes that were expressed ubiquitously or similar groups such as digestive organs muscle. Clustering profiles was observed brain, postnatal cerebellum, olfactory bulb, reflecting similarities neurogenesis remodeling. Finally, clustering coding for known enzymes into 78 metabolic pathways revealed a surprising...
A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target systems varying complexity: a silicon and iodine-containing molecule, copper coordination complex, near-rigid cocrystal, polymorphic small agrochemical, highly flexible drug candidate, morpholine salt. In this first two parts focusing on generation methods, many (CSP) methods performed well for but agrochemical compound, successfully reproducing...
Stereochemical studies of a cruciferous oxindole phytoalexin, (S)-(−)-spirobrassinin [(−)-4], and its oxazoline analogue, spirooxazoline (11), were carried out. Racemic spirobrassinin [(±)-4] was synthesized by SOCl2- or MsCl-mediated cyclization dioxibrassinin [(±)-8]. Treatment (3-hydroxyoxindol-3-yl)methylammonium chloride [(±)-9] with CSCl2 subsequent methylation the obtained spirooxazolidinethione (±)-10 afforded [(±)-11]. Enantioresolution (±)-4 (±)-11 achieved derivatization...
Diaryltetrathiasilolanes 2a,b, bearing bulky aryl groups such as 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl (Tbt), mesityl (Mes), and 2,4,6-triisopropylphenyl (Tip), were obtained by thermal reaction of dihydrosilane 3a with elemental sulfur, highly hindered disilene 4 or reduction dibromosilane 6 followed addition sulfur. The molecular structure 2a was determined X-ray crystallographic analysis. Desulfurization at −78 °C afforded a silicon−sulfur double bond compound (silanethione 7a)....
We have determined crystallographic structures of four thiophene/phenylene co-oligomers with different molecular shapes. The compounds consist the molecules straight, bent, or zigzag. All crystals are monoclinic space group either P21/c P21/n, Z = 4, and unique axis b. characterized by presence layered structure in which form well-known herringbone laterally spreading along ab-plane. investigate disposition present its peculiarity relation to those comprising nonstraight (e.g., bent zigzag)....
The reaction of H-phosphinates and secondary phosphine oxides with amines alcohols proceeds highly stereospecifically to give the corresponding coupling products inversion configuration at phosphorus center under Atherton−Todd conditions. This finding leads establishment a general efficient method for synthesis variety optically active organophosphorus acid derivatives from easily available chiral oxides.
Abstract The crystal structure of the B-form stearic acid has been studied by X-ray diffraction. structural parameters were refined block-diagonal least-squares method, and final R value was 0.084. In this structure, bond between second third carbon atoms found to be gauche conformation, although other bonds in trans conformation usually seen normal fatty acids.
We describe here the preparation of soft crystals using disilanyl macrocycle C4 possessing four p-phenylenes circularly connected by flexible disilane bonds. Single exhibited a reversible thermal single-crystal-to-single-crystal (SCSC) phase transition behavior between two crystal phases accompanied remarkable mechanical motion (thermosalient effect), as revealed analyses and X-ray diffraction measurements. Detailed structural implied that flexibility parallelogram architecture molecular...
A seventh blind test of crystal structure prediction has been organized by the Cambridge Crystallographic Data Centre. The results are presented in two parts, with this second part focusing on methods for ranking structures order stability. exercise involved standardized sets seeded from a range generation methods. Participants 22 groups applied several periodic DFT-D methods, machine learned potentials, force fields derived empirical data or quantum chemical calculations, and various...
The sila-functional 9,10-disilylanthracenes An(SiR2X)2 (1, R = i-Pr, X H; 2, Cl; 3, Me, H) were synthesized, and the X-ray structure is reported for 1. Compounds 1−3 as well related compound An(SiMe3)2 exhibit intense fluorescence (Φf > 0.9) at room temperature.
The thermodynamically and kinetically stable peralkyloctasilacubane 1 is formed in the reaction of SiCl3 (R = CMe2CHMe2) with Na. orange-red compound soluble hydrocarbons was characterized by spectroscopy X-ray crystallography. Both its long-wavelength electronic transition UV/VIS spectrum at λ ≈ 500 nm low oxidation potential found cyclic voltammetry 0.43 V—unusual values for cy-clopolysilanes—are traced back to highly strained Si8 framework.
The oxidative addition of pure (R(P))-menthyl phenylphosphinate 1 to a platinum (0) complex proceeds readily with retention configuration at the chiral phosphorus center which was unambiguously confirmed by an X-ray analysis. In presence catalytic amount palladium, hydrophosphinylation variety alkynes also takes place stereospecifically, configuration, affording high yields corresponding vinylphosphinates bearing single chirality phosphorus.
Insights into the mechanism of rhodium-catalyzed hydrophosphorylation alkynes with cyclic hydrogen phosphonate 1 are provided by isolable RhIII intermediates 2 and 3. The reactions proceed at room temperature give high yields exclusively (E)-alkenyl phosphonates 4, which not readily prepared other routes. X=halide, L=phosphane or hydrogenphosphonic acid. Supporting information for this article is available on WWW under http://www.angewandte.com from author. Please note: publisher responsible...
Abstract The proportion of erythro - and threo -forms β-O-4-structures in lignin was elucidated by ozonation analysis 21 wood species, the relationship to syringyl guaiacyl composition investigated. For all hardwood -form predominated, although extent varied widely, depending on species. In contrast, amount were very similar softwood greater species with a higher methoxyl content (correlation coefficient, R 2 =0.83). S/V ratio (molar syringaldehyde syringic acid that vanillin vanillic acid)...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTInvestigation of intramolecular interactions in n-alkanes. Cooperative energy increments associated with GG and GTG' [G = gauche, T trans] sequencesSeiji Tsuzuki, Lothar Schafer, Hitoshi Goto, Eluvathingal D. Jemmis, Haruo Hosoya, Khamis Siam, Kazutoshi Tanabe, Eiji OsawaCite this: J. Am. Chem. Soc. 1991, 113, 12, 4665–4671Publication Date (Print):June 1, 1991Publication History Published online1 May 2002Published inissue 1 June...
Different copper complexes selectively catalyze the aerobic oxidative coupling of H-phosphonates to afford either hypophosphates and pyrophosphates in high yields with selectivity (see scheme; tmeda=N,N,N′,N′-tetramethylethylenediamine). Detailed facts importance specialist readers are published as "Supporting Information". Such documents peer-reviewed, but not copy-edited or typeset. They made available submitted by authors. Please note: The publisher is responsible for content...