14 results on '"Setsuko Nakagawa"'
Search Results
2. Polarizable Molecular Block Model: Toward the Development of an Induced Dipole Force Field for DNA
- Author
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Yuko Okamoto, Setsuko Nakagawa, and Akihiro Kimura
- Subjects
Materials Chemistry ,Physical and Theoretical Chemistry ,Surfaces, Coatings and Films - Abstract
For flexible and highly ionized macromolecules such as DNA, it is important to correctly evaluate the intramolecular polarization in an induced dipole force field. In a proposed polarizable molecular block (PMB) model, a large molecule is divided into several molecular blocks. The atomic charges of the blocks are optimized by using the respective electrostatic potentials (ESPs) on the molecular surface. By using the capped hydrogen removal operation, the total charge of the blocks is controlled exactly to have an integer charge. The atomic polarizabilities of the blocks are optimized by using the respective polarized one-electron potentials that are the differences between ESPs with and without an external test charge. Induced dipole-charge interactions between the blocks are all included, but those interactions within the blocks are strictly excluded. All dipole-dipole interactions are included, but the damping functions are applied to the close dipole-dipole pairs. Several types of damping (simple scaling, exponential, linear, and Gaussian) are evaluated. The validity of the PMB model was verified by using trinucleotide duplexes which have A-, B-, and Z-DNA forms. The reference energies of trinucleotide duplexes including counterions (GGT3Na-ACC3Na, GAC3Na-GTC3Na, and GCG3Na-CGC3Na) are calculated using ωB97XD/aug-cc-pVDZ. All damping types reproduced well the reference interaction energies, dipole moments, and ESPs. Among them, the simple scaling with strong attenuation to 1-2 atomic pairs showed the highest stability against the polarization catastrophe. This study shows that it is possible to develop a high-quality polarizable force field by treating the intramolecular polarization on a block-by-block basis.
- Published
- 2022
3. New aneurysm formation and regrowth associated with rebleeding of residual pediatric ruptured arteriovenous malformation: patient series
- Author
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Yoshihisa, Matsumoto, Yui, Nagata, Setsuko, Nakagawa, Takuro, Hashikawa, Hideki, Sakai, Shinji, Takahashi, Yosuke, Hashimoto, Shin, Goto, Yasuo, Sugita, and Kenji, Takahashi
- Subjects
General Medicine - Abstract
BACKGROUND If complete obliteration of ruptured pediatric arteriovenous malformation (AVM) cannot be achieved, the appropriate follow-up duration and predictors of rebleeding remain unknown. OBSERVATIONS Pediatric patients with ruptured AVMs admitted to the authors’ hospital within the past 30 years were evaluated. Rebleeding was confirmed in two patients. The first patient was a 5-year-old boy who experienced right thalamic hemorrhage. AVM was found in the bilateral thalamus and treated with stereotactic radiosurgery (SRS). New aneurysm formation and residual AVM regrowth were confirmed 21 years after the SRS. Eight months later, rebleeding occurred. The second patient was a 5-year-old boy who underwent removal of a left cerebellar hemorrhage and AVM. The residual AVM was treated with SRS. Residual AVM regrowth was detected at 6 years 7 months after SRS. Five months later, new aneurysm formation was confirmed. Two additional days later, rebleeding occurred. LESSONS New aneurysm formation and residual AVM regrowth may predict rebleeding and can occur >20 years after the initial rupture and treatment. If AVM obliteration is not achieved, long-term follow-up is needed, even in adulthood, with attention to new aneurysm formation and residual AVM regrowth. Further treatment is recommended if these findings are confirmed.
- Published
- 2022
4. Usefulness of Stent-Assisted Coil Embolization of Direct Traumatic Carotid-Cavernous Fistulas: Report of Three Patients and Review of Other Treatment Methods
- Author
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Yoshihisa Matsumoto, Setsuko Nakagawa, Takurou Hashikawa, Yoshihisa Fukushima, Yui Nagata, Hideki Sakai, and Kenji Takahashi
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medicine.medical_specialty ,business.industry ,medicine.medical_treatment ,medicine ,Stent ,Treatment method ,Neurology (clinical) ,Radiology ,Cardiology and Cardiovascular Medicine ,business ,Coil embolization - Published
- 2020
5. Evaluation of the Partial Re-Sheathing Technique with the Solitaire Stent Retrieval System In Vitro Model and a Representative Case
- Author
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Takuro Hashikawa, Setsuko Nakagawa, Yoshihisa Matsumoto, Yui Nagata, Kiyoshi Kazekawa, Hidenobu Yoshitake, Kenji Takahashi, Hideki Sakai, Yoshinori Go, and Yoshihisa Fukushima
- Subjects
business.industry ,Medicine ,Neurology (clinical) ,Cardiology and Cardiovascular Medicine ,business ,Nuclear medicine ,Solitaire stent ,In vitro model - Published
- 2020
6. Intradural Extramedullary Hemangioblastoma Fed by the Posterior Spinal Artery—A Case Report
- Author
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Keichiro Furuta, Shota Terachi, Yoshihisa Matsumoto, Kiyoshi Kazekawa, Setsuko Nakagawa, Hideki Sakai, Takuro Hashikawa, Yui Nagata, Shin Goto, and Kenji Takahashi
- Subjects
medicine.medical_specialty ,business.industry ,medicine.artery ,Hemangioblastoma ,medicine ,Radiology ,medicine.disease ,business ,Intradural extramedullary ,Posterior spinal artery - Published
- 2020
7. The Shunt Point of the Sacral Dural Arteriovenous Fistula: A Case Report and Literature Review
- Author
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Takuro Hashikawa, Yoshihisa Fukushima, Keiichiro Furuta, Yoshihisa Matsumoto, Yui Nagata, Kenji Takahashi, Setsuko Nakagawa, Hideki Sakai, and Hidenobu Yoshitake
- Subjects
musculoskeletal diseases ,Male ,medicine.medical_specialty ,Sacrum ,medicine.medical_treatment ,Arteriovenous fistula ,Urinary incontinence ,03 medical and health sciences ,0302 clinical medicine ,Lumbar ,Imaging, Three-Dimensional ,medicine ,Humans ,Embolization ,Anterior posterior ,Central Nervous System Vascular Malformations ,medicine.diagnostic_test ,business.industry ,Angiography ,Middle Aged ,musculoskeletal system ,medicine.disease ,Embolization, Therapeutic ,Shunt (medical) ,body regions ,Spinal Cord ,030220 oncology & carcinogenesis ,Surgery ,Neurology (clinical) ,Radiology ,medicine.symptom ,Pouch ,business ,030217 neurology & neurosurgery - Abstract
Background The occurrence of sacral dural arteriovenous fistula (dAVF) is rare. The detailed vascular architecture of sacral dAVF, including 3-dimensional (3D) angiographic images with operative findings, has not been evaluated compared with that of the thoracic and lumbar levels. We report a case of sacral dAVF with 3D angiographic examination and operative findings, with a literature review. Case Description A 60-year-old man presented with progressive urinary incontinence and gait disturbance. A sacral dAVF was detected at the S1-2 level. The shunt point was at the medial side of the line between the intermediate sacral crest and the most medial point of the L5 pedicle circle at the anterior posterior view of the angiography; we defined this type as the medial type. After embolization, latent inflow arteries were visualized ipsilaterally and contralaterally. During surgery, because of dAVF recurrence, a vascular tangle was found on the dura. The surgical interruption of the draining vein improved the patient's symptoms. From the literature review, 92% of cases had medial-type shunt point. It is possible for sacral dAVF to have multiple inflow arteries originating ipsilaterally or bilaterally, and a venous pouch. Conclusions The shunt point of sacral dAVF tended to be located medially, not in the sacral foramen. Sacral dAVF has unique angioarchitecture. The differentiation of dAVF from epidural arteriovenous fistula may not be easy in some cases of sacral lesions. Therefore, further studies with a larger number of patients focused on the detailed vascular architecture are needed.
- Published
- 2019
8. A case of intracranial hemorrhage suspected to be due to renovascular hypertension caused by fibromuscular dysplasia
- Author
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Takuro Hashikawa, Yoshikuni Koutaki, Kenji Takahashi, Setsuko Nakagawa, Susumu Nakashima, Hideki Sakai, and Jin Kikuchi
- Subjects
03 medical and health sciences ,medicine.medical_specialty ,0302 clinical medicine ,business.industry ,Medicine ,Fibromuscular dysplasia ,Radiology ,business ,medicine.disease ,030217 neurology & neurosurgery ,Renovascular hypertension - Published
- 2018
9. Dual Photochemical Reaction Pathway in Flavin-Based Photoreceptor LOV Domain: A Combined Quantum-Mechanics/Molecular-Mechanics Investigation
- Author
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Oliver Weingart, Christel M. Marian, and Setsuko Nakagawa
- Subjects
Models, Molecular ,0301 basic medicine ,Flavin Mononucleotide ,Stereochemistry ,Flavin mononucleotide ,Flavin group ,Crystallography, X-Ray ,Photoreceptors, Microbial ,010402 general chemistry ,Ring (chemistry) ,Photochemistry ,01 natural sciences ,03 medical and health sciences ,chemistry.chemical_compound ,Bacterial Proteins ,Protein Domains ,Flavins ,Materials Chemistry ,Side chain ,Singlet state ,Physical and Theoretical Chemistry ,Photochemical Processes ,0104 chemical sciences ,Surfaces, Coatings and Films ,030104 developmental biology ,Intersystem crossing ,chemistry ,Covalent bond ,Excited state ,Quantum Theory ,Bacillus subtilis - Abstract
The primary photochemical reaction of the light, oxygen, and voltage (LOV) domain of the blue-light photosensor YtvA of Bacillus subtilis were investigated using high-level QM(DFT/MRCI)/MM methods. After blue-light excitation, the Sγ atom of the reactive cysteine forms a covalent bond with the C4a of the flavin mononucleotide (FMN) ring. Two conformations for the side chain of reactive cysteine with occupancies of 70% (conf A) and 30% (conf B) are observed in the X-ray crystallographic structures of the YtvA-LOV (Moglich, A.; Moffat, K. J. Mol. Biol. 2007, 373, 112−126). In conf A, the thiol group is directed toward the dimethylbenzene moiety of the FMN ring whereas it is placed directly above the N5 atom of the FMN ring in conf B. Starting from both conformations, the singlet and triplet excited pathways were evaluated. The singlet states excited from conf A decay nonradiatively to the triplet states by intersystem crossing (ISC). After the formation of a neutral biradical, the triplet states cross over ...
- Published
- 2017
10. GCT-53. CASE OF INTRACRANIAL GROWING TERATOMA SYNDROME WITH DIFFICULTY IN TIMING OF RESECTION
- Author
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Takuro Hashikawa, Motohisa Koga, Naohisa Miyagi, Kenji Takahashi, Soushou Kajiwara, Yoshihisa Matsumoto, Yuta Hamamoto, Yui Nagata, Yasuo Sugita, Hidenobu Yoshitake, Satoru Komaki, Hideki Sakai, Nobuyuki Takeshige, Motohiro Morioka, Hideo Nakamura, Setsuko Nakagawa, Jin Kikuchi, and Yusuke Otsu
- Subjects
Cancer Research ,medicine.medical_specialty ,Growing teratoma syndrome ,endocrine system diseases ,business.industry ,Resection ,Oncology ,Germ Cell Tumors ,Medicine ,AcademicSubjects/MED00300 ,AcademicSubjects/MED00310 ,Neurology (clinical) ,Radiology ,business - Abstract
BACKGROUND Intracranial Growing teratoma syndrome(iGTS) is a phenomenon in which a tumor with a teratoma component grows during treatment, and its pathological tissue is often a mature teratoma. Here we report a case of iGTS in which the timing of surgery was determined by tumor markers and changes in tumor size on MRI images. CASE-REPORT: 11-year-old boy with a short stature. He developed a headache and we found a pineal gland tumor on MRI. Due to obstructive hydrocephalus, an endoscopic third ventriculostomy and biopsy were performed. The pathological diagnosis was mature teratoma, but AFP was elevated at 104.2 ng/mL. Considering NGGCT, we started chemoradiation immediately. Despite the declining AFP, it gradually increased, at which point we suspected iGTS. Resection was considered, but at some point tumor growth had stopped, so radiation therapy and a second course of ICE therapy preceded the resection. Thereafter, the tumor was completely removed, and a third course of ICE therapy was performed. DISCUSSION The onset mechanism of iGTS has not been elucidated, and its prediction is difficult. Early resection of the tumor is required, but discontinuation of radiation therapy and side effects of chemotherapy also need to be considered. In our case, resection was performed after normalization of AFP and recovery of myelosuppression. The patient followed an uneventful course, but the timing of resection was controversial. CONCLUSION We experienced a case of iGTS in NGGCT, a mixed tumor with mature teratoma. The optimal timing of the resection was discussed and literature was reviewed.
- Published
- 2020
11. Gliosarcomas arising from the pineal gland region: uncommon localization and rare tumors
- Author
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Shoko Shimokawa, Motohiro Morioka, Yasuo Sugita, Koichi Ohshima, Koichi Higaki, Susumu Nakashima, Setsuko Nakagawa, Ken Tanigawa, and Mizuhiko Terasaki
- Subjects
Pathology ,medicine.medical_specialty ,Gliosarcoma ,Glial fibrillary acidic protein ,biology ,General Medicine ,Glial tumor ,medicine.disease ,Neural stem cell ,Pathology and Forensic Medicine ,03 medical and health sciences ,0302 clinical medicine ,Cancer stem cell ,030220 oncology & carcinogenesis ,biology.protein ,medicine ,Pinealoma ,Neurology (clinical) ,Epithelial–mesenchymal transition ,Sarcoma ,030217 neurology & neurosurgery - Abstract
Gliosarcomas are a variant of glioblastomas and present a biphasic pattern, with coexisting glial and mesenchymal components. In this study, two unusual cases are presented. Case 1 is a 52-year-old woman with a headache and memory disturbance for a month. Case 2 is an 18-year-old man with a headache lasting two weeks. In both cases, an MRI revealed enhancing T1-low to iso, T2-iso to high intensity lesions in the pineal gland region. Histologically, in case 1, the tumor showed spindle cell proliferation with disorganized fascicles and cellular pleomorphism. Tumor cells variously exhibited oncocytic transformation. Immunohistochemically, most of the spindle tumor cells were positive for myoglobin and desmin. Some of the tumor cells were positive for GFAP and S-100 protein. On the other hand, all tumor cells were positive for CD133, Musashi1, and SOX-2 which are the markers of neural stem cells. In case 2, the tumor showed monotonous proliferation of short spindle cells with disorganized fascicles and cellular atypism. The morphological distinction between glial and mesenchymal components was not apparent. Immunohistochemically, most of the spindle tumor cells were positive for desmin. Glial tumor cells that were dispersed within the sarcoma as single cells were positive for GFAP. In addition, all tumor cells were positive for CD133, Musashi1 and SOX-2. Based on these microscopic appearances, and immunohistochemical findings, these cases were diagnosed as gliosarcomas arising from the pineal gland region. These results also indicated that pluripotential cancer stem cells differentiated into glial and muscle cell lines at the time of tumor growth. In a survey of previous publications on gliosarcoma arising from the pineal gland, these cases are the second and third reports found in English scientific writings.
- Published
- 2015
12. Recipe of Polarized One-Electron Potential Optimization for Development of Polarizable Force Fields
- Author
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Setsuko Nakagawa, Hans Ågren, and Pekka Mark
- Subjects
Physics ,Polarization (waves) ,Computer Science Applications ,Partial charge ,Dipole ,Chemical bond ,Polarizability ,Intramolecular force ,Physics::Atomic and Molecular Clusters ,Physics::Atomic Physics ,Electric potential ,Physics::Chemical Physics ,Physical and Theoretical Chemistry ,Test particle ,Atomic physics - Abstract
Polarized one-electron potential (POP) optimization is a powerful and practical method to determine multicenter dipole polarizabilities that can be used for constructing polarizable force fields. The POP optimization is similar to the widely used electrostatic potential (ESP) optimization to determine the partial charges of molecules. However, while the ESP optimization targets the electrostatic potentials on a molecular surface, the POP optimization targets the change of electrostatic potentials on molecular surfaces which are induced by the field of a test charge on the molecular surface. Since only additional one-electron integrals for the test charge are required for the estimation of the surface potentials, the change of electrostatic potentials has been named "polarized one-electron potentials". We show that in the POP optimization, both an explicitly interacting polarizability model and an implicitly interacting polarizability model can be used for the determination of the multicenter polarizabilities. In the explicitly interacting model, intramolecular induced dipole-induced dipole interaction is mutually included in the process of the POP optimization, but the interaction is not included in the implicitly interacting model. In the implicitly interacting polarizability model, a combined model of isotropic atom polarization and anisotropic bond polarization is shown to provide the best fitting results for nucleic acid bases which show large polarization anisotropy. A simple scaling model to the chemical bond has been newly proposed for the explicitly interacting polarizability model. We show that the simple model can be applied to molecular simulations without any damping of exponential type in the intramolecular induced dipole interaction. A detailed procedure for determination of the multicenter dipole polarizability by the POP optimization is also presented.
- Published
- 2015
13. Gliosarcomas arising from the pineal gland region: uncommon localization and rare tumors
- Author
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Yasuo, Sugita, Mizuhiko, Terasaki, Ken, Tanigawa, Koichi, Ohshima, Motohiro, Morioka, Koichi, Higaki, Setsuko, Nakagawa, Shoko, Shimokawa, and Susumu, Nakashima
- Subjects
Male ,Adolescent ,Gliosarcoma ,Middle Aged ,Immunohistochemistry ,Magnetic Resonance Imaging ,Pineal Gland ,Neurosurgical Procedures ,Cell Transformation, Neoplastic ,Glial Fibrillary Acidic Protein ,Biomarkers, Tumor ,Humans ,Female ,Pinealoma ,Cell Proliferation - Abstract
Gliosarcomas are a variant of glioblastomas and present a biphasic pattern, with coexisting glial and mesenchymal components. In this study, two unusual cases are presented. Case 1 is a 52-year-old woman with a headache and memory disturbance for a month. Case 2 is an 18-year-old man with a headache lasting two weeks. In both cases, an MRI revealed enhancing T1-low to iso, T2-iso to high intensity lesions in the pineal gland region. Histologically, in case 1, the tumor showed spindle cell proliferation with disorganized fascicles and cellular pleomorphism. Tumor cells variously exhibited oncocytic transformation. Immunohistochemically, most of the spindle tumor cells were positive for myoglobin and desmin. Some of the tumor cells were positive for GFAP and S-100 protein. On the other hand, all tumor cells were positive for CD133, Musashi1, and SOX-2 which are the markers of neural stem cells. In case 2, the tumor showed monotonous proliferation of short spindle cells with disorganized fascicles and cellular atypism. The morphological distinction between glial and mesenchymal components was not apparent. Immunohistochemically, most of the spindle tumor cells were positive for desmin. Glial tumor cells that were dispersed within the sarcoma as single cells were positive for GFAP. In addition, all tumor cells were positive for CD133, Musashi1 and SOX-2. Based on these microscopic appearances, and immunohistochemical findings, these cases were diagnosed as gliosarcomas arising from the pineal gland region. These results also indicated that pluripotential cancer stem cells differentiated into glial and muscle cell lines at the time of tumor growth. In a survey of previous publications on gliosarcoma arising from the pineal gland, these cases are the second and third reports found in English scientific writings.
- Published
- 2015
14. Dual Photochemical Reaction Pathway in Flavin-Based Photoreceptor LOV Domain: A Combined Quantum-Mechanics/Molecular-Mechanics Investigation.
- Author
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Setsuko Nakagawa, Weingart, Oliver, and Marian, Christel M.
- Subjects
- *
PHOTOCHEMISTRY , *FLAVINS , *PHOTORECEPTORS , *PHOTODETECTORS , *CYSTEINE , *SUBSTITUENTS (Chemistry) , *X-ray crystallography - Abstract
The primary photochemical reaction of the light, oxygen, and voltage (LOV) domain of the blue-light photosensor YtvA of Bacillus subtilis were investigated using high-level QM(DFT/MRCI)/MM methods. After blue-light excitation, the Sγ atom of the reactive cysteine forms a covalent bond with the C4a of the flavin mononucleotide (FMN) ring. Two conformations for the side chain of reactive cysteine with occupancies of 70% (conf A) and 30% (conf B) are observed in the X-ray crystallographic structures of the YtvA-LOV (Möglich, A.; Moffat, K. J. Mol. Biol. 2007, 373, 112-126). In conf A, the thiol group is directed toward the dimethylbenzene moiety of the FMN ring whereas it is placed directly above the N5 atom of the FMN ring in conf B. Starting from both conformations, the singlet and triplet excited pathways were evaluated. The singlet states excited from conf A decay nonradiatively to the triplet states by intersystem crossing (ISC). After the formation of a neutral biradical, the triplet states cross over to the electronic ground state by a second ISC and the adducts are efficiently formed. The singlet states excited from conf B are located near the S1/S0 conical intersection (CIn). A major fraction returns to the initial states through the CIn. The rest may directly reach the adduct state. Thus, the photoexcitation has a dual reaction pathway. In YtvA-LOV, it is inferred that the efficient triplet excitation from conf A was chosen by bypassing the less efficient singlet excitation from conf B. [ABSTRACT FROM AUTHOR]
- Published
- 2017
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