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Showing 1 to 12 of 579 entries
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Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction.

Physical chemistry chemical physics : PCCP

Lee SU, Mizuseki H, Kawazoe Y.
PMID: 20694223
Phys Chem Chem Phys. 2010 Oct 07;12(37):11763-9. doi: 10.1039/c001400a. Epub 2010 Aug 09.

We present a systematic analysis of molecular level alignments and electron transport characteristics based on the non-equilibrium Green's function (NEGF) approach combined with density functional theory (DFT) for phenyl dithiol (PDT) derivatives with two different linkages, simple thiol (ST)...

Solvation Mechanism of Task-Specific Ionic Liquids in Water: A Combined Investigation Using Classical Molecular Dynamics and Density Functional Theory.

The journal of physical chemistry. B

Yuvaraj SV, Zhdanov RK, Belosludov RV, Belosludov VR, Subbotin OS, Kanie K, Funaki K, Muramatsu A, Nakamura T, Kawazoe Y.
PMID: 26366529
J Phys Chem B. 2015 Oct 08;119(40):12894-904. doi: 10.1021/acs.jpcb.5b05945. Epub 2015 Sep 24.

The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3](+) and different anions, bromide-[Br](-) and bis(trifluoromethylsulfonyl)amide-[NTF2](-), in water is examined, computationally. These amino acid functionalized ionic liquids (ILs) are taken into account because...

Changes in hip and knee muscle strength in patients following total hip arthroplasty.

Journal of the Japanese Physical Therapy Association = Rigaku ryoho

Fukumoto Y, Ohata K, Tsukagoshi R, Kawanabe K, Akiyama H, Mata T, Kimura M, Ichihashi N.
PMID: 25792900
J Jpn Phys Ther Assoc. 2013;16(1):22-7. doi: 10.1298/jjpta.Vol16_002.

OBJECTIVE: To investigate changes in hip and knee muscle strength in patients before and after total hip arthroplasty (THA) in comparison with that in healthy adults.METHODS: The study included 21 women who underwent unilateral THA (THA group) and 21...

Dirac cone move and bandgap on/off switching of graphene superlattice.

Scientific reports

Jia TT, Zheng MM, Fan XY, Su Y, Li SJ, Liu HY, Chen G, Kawazoe Y.
PMID: 26732904
Sci Rep. 2016 Jan 06;6:18869. doi: 10.1038/srep18869.

Using the density functional theory with generalized gradient approximation, we have studied in detail the cooperative effects of degenerate perturbation and uniaxial strain on bandgap opening in graphene. The uniaxial strain could split π bands into πa and πz...

Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: an experimental and theoretical study.

Chemical communications (Cambridge, England)

Sapchenko SA, Dybtsev DN, Samsonenko DG, Belosludov RV, Belosludov VR, Kawazoe Y, Schröder M, Fedin VP.
PMID: 26238221
Chem Commun (Camb). 2015 Sep 21;51(73):13918-21. doi: 10.1039/c5cc05779e.

The sorption of CO, CO2 and C2H2 by two urotropine-containing porous metal-organic framework materials [Zn4(dmf)(ur)2(ndc)4] (H2ndc = 2,6-naphthalenedicarboxylic acid; ur = urotropine; dmf = dimethylformamide) and [Zn11(H2O)2(ur)4(bpdc)11] (H4bpdc = 4,4'-biphenyldicarboxylic acid) incorporating free N-donors has been investigated. These materials...

Outcomes of abdominal trauma patients with hemorrhagic shock requiring emergency laparotomy: efficacy of intra-aortic balloon occlusion.

Acute medicine & surgery

Kunitatsu K, Ueda K, Iwasaki Y, Yamazoe S, Yonemitsu T, Kawazoe Y, Kawashima S, Shibata N, Kato S.
PMID: 29123810
Acute Med Surg. 2016 May 10;3(4):345-350. doi: 10.1002/ams2.212. eCollection 2016 Oct.

AIM: The aims of this study were to investigate outcomes of abdominal trauma in patients with hemorrhagic shock requiring emergency laparotomy and clarify the beneficial effects of intra-aortic balloon occlusion (IABO) for intra-abdominal hemorrhage in patients with critically uncontrollable...

Factor structure, reliability, and validity of the Japanese version of the Hoarding Rating Scale-Self-Report (HRS-SR-J).

Neuropsychiatric disease and treatment

Tsuchiyagaito A, Horiuchi S, Igarashi T, Kawanori Y, Hirano Y, Yabe H, Nakagawa A.
PMID: 28533685
Neuropsychiatr Dis Treat. 2017 May 09;13:1235-1243. doi: 10.2147/NDT.S133471. eCollection 2017.

BACKGROUND: The Hoarding Rating Scale-Self-Report (HRS-SR) is a five-item scale that assesses the symptoms of hoarding. These symptoms include excessive acquisition, difficulty in discarding, and excessive clutter that causes distress. We conducted three studies to examine the factor structure,...

A Querying Method over RDF-ized Health Level Seven v2.5 Messages Using Life Science Knowledge Resources.

JMIR medical informatics

Kawazoe Y, Imai T, Ohe K.
PMID: 27050304
JMIR Med Inform. 2016 Apr 05;4(2):e12. doi: 10.2196/medinform.5275.

BACKGROUND: Health level seven version 2.5 (HL7 v2.5) is a widespread messaging standard for information exchange between clinical information systems. By applying Semantic Web technologies for handling HL7 v2.5 messages, it is possible to integrate large-scale clinical data with...

Phase transformation of cadmium sulfide under high temperature and high pressure conditions.

Physical chemistry chemical physics : PCCP

Xiao J, Wen B, Melnik R, Kawazoe Y, Zhang X.
PMID: 24930763
Phys Chem Chem Phys. 2014 Jul 28;16(28):14899-904. doi: 10.1039/c4cp01003e.

Cadmium sulfide (CdS) is one of the most significant wide band gap semiconductors, and knowledge of the phase transformation of CdS under high temperature and pressure is especially important for its applications. The pressure-temperature phase diagram and the phase...

Kinetic origin of divergent decompression pathways in silicon and germanium.

Physical review letters

Wang JT, Chen C, Mizuseki H, Kawazoe Y.
PMID: 23679617
Phys Rev Lett. 2013 Apr 19;110(16):165503. doi: 10.1103/PhysRevLett.110.165503. Epub 2013 Apr 15.

Silicon and germanium transform from diamond to β-tin structure under compression, but upon decompression they turn into metastable BC8 Si and ST12 Ge phases, respectively, instead of returning to the lowest-enthalpy diamond structure. Here we explore by first-principles calculations...

Single adatom dynamics at monatomic steps of free-standing few-layer reduced graphene.

Scientific reports

Chang H, Saito M, Nagai T, Liang Y, Kawazoe Y, Wang Z, Wu H, Kimoto K, Ikuhara Y.
PMID: 25113125
Sci Rep. 2014 Aug 12;4:6037. doi: 10.1038/srep06037.

Steps and their associated adatoms extensively exist and play prominent roles in affecting surface properties of materials. Such impacts should be especially pronounced in two-dimensional, atomically-thin membranes like graphene. However, how single adatom behaves at monatomic steps of few-layer...

Successful plasmapheresis in alveolar hemorrhage associated with systemic lupus erythematosus.

Modern rheumatology

Shiraishi H, Migita K, Honda S, Yamasaki S, Ida H, Shibatomi K, Kawakami A, Kawabe Y, Eguchi K.
PMID: 24383781
Mod Rheumatol. 2001 Dec;11(4):340-3. doi: 10.3109/s10165-001-8067-x.

Abstract The case of an 18-year-old Japanese man with systemic lupus erythematosus (SLE) complicated by alveolar hemorrhage is described. The patient presented with fever, butterfly rash, and polyarthralgia, and was diagnosed with SLE. He suddenly developed alveolar hemorrhage during...

Showing 1 to 12 of 579 entries