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How accurate are approximate quantum chemical methods at modelling solute–solvent interactions in solvated clusters?
No full textIn this paper, the performance of a wide range of DFT methods is assessed for the calculation of interaction energies of thermal clusters of a solute in water. Three different charge states (neutral, proton transfer transition state and zwitterion) of glycine were solvated by 1 to 40 water molecules as sampled from molecular dynamics simulations. While some ab initio composite methods that employ insufficiently large basis sets incurred significant errors even for a cluster containing only 5 water molecules relative to the W1X-2 benchmark, the DLPNO-CCSD(T)/CBS and DSD-PBEP86 (triple zeta basis set) levels of theory predicted very accurate interaction energies. These levels of theory were used to benchmark the performance of 16 density functionals from different rungs of Jacob's Ladder. Of the Rung 4 functionals examined, the ωB97M-V and ωB97X-V functionals stood out for predicting absolute interaction energies in 40-water clusters with mean absolute deviations (MAD) ∼4 kJ mol-1. The B3LYP-D3(BJ) functional performed exceptionally well with a MAD ∼1.7 kJ mol-1 and is the overall best performing method. Calculations of relative interaction energies allow for cancellation of systematic errors, including basis set truncation and superposition errors, and the ωB97M-V and B3LYP-D3(BJ) double zeta basis set calculations yielded relative interaction energies that are within ∼3 kJ mol-1 of the benchmark. The ONIOM approximation provides another strategy for accelerating the calculation of accurate absolute interaction energies provided that the calculations have converged with respect to the size of the "high-level-layer"
Nagasaki University Island SDGs Project Activity Report 2019
Full text linkJapanese version: http://hdl.handle.net/10069/3971
Nonlinear phenomena in vibration control devices using Hula-Hoop and displacement magnification mechanism
Full text linkThe authors have been studying vibration control devices using Hula-Hoops. A displacement magnification mechanism has been devised so that vibration can be controlled even when the vibration amplitude of the main system to be controlled is small, and its effect is investigated. The purpose of this study is to clarify the vibration behavior in the system to be controlled by the Hula-Hoop and the displacement magnification mechanism. The results obtained from the numerical calculation are summarized as follows. (1) Nonlinear vibration phenomena such as beat,
chaos, and 1/2 subharmonic vibration are confirmed. (2) Vibration control is not desired in the frequency range where
above-mentioned vibrations other than the fundamental harmonic vibration occur
Vibration control of mulch modes of inverter motor stator using imperfect mass and Houde dampers
Full text linkThis paper deals with the quenching problem of electromagnetic vibration of the motor stator in the wide frequency region around two natural frequencies. The iron stator of the inverter motor is modeled by a perfect circular ring. To quench its vibration, single mass is set on the stator, and two
Houde dampers are installed on the outside of it. Regarding the vibration control of the ring considering two modes, the effective vibration control method was investigated from the numerical calculation using the ring theory. The results of evaluating the square of the velocity amplitude of the stator related to noise for the second and fourth modes are summarized as follows.; (1) The square value of the velocity amplitude at the resonance point of the fourth order mode is smaller than the
value at the resonance point of the second order mode. (2) Adopting an optimal design to reduce the square value of the velocity amplitude at the resonance of the second-order mode is effective for quenching the amplitude of the fourth-order mode. (3) When quenching the second and fourth modes
at the same time, it should be designed with priority on quenching the resonance amplitude of the second order mode
Effects of Tissue Pressure on Transgene Expression Characteristics via Renal Local Administration Routes from Ureter or Renal Artery in the Rat Kidney
Full text linkWe previously developed a renal pressure-mediated transfection method (renal pressure method) as a kidney-specific in vivo gene delivery system. However, additional information on selecting other injection routes and applicable animals remains unclear. In this study, we selected renal arterial and ureteral injections as local administration routes and evaluated the characteristics of gene delivery such as efficacy, safety, and distribution in pressured kidney of rat. Immediately after the naked pDNA injection, via renal artery or ureter, the left kidney of the rat was pressured using a pressure controlling device. Transfection efficiency of the pressured kidney was about 100-fold higher than that of the injection only group in both administration routes. The optimal pressure intensity in the rat kidney was 1.2 N/cm2 for renal arterial injection and 0.9 N/cm2 for ureteral injection. We found that transgene expression site differs according to administration route: cortical fibroblasts and renal tubule in renal arterial injection and cortical and medullary tubule and medullary collecting duct in ureteral injection. This is the first report to demonstrate that the renal pressure method can also be effective, after renal arterial and ureteral injections, in rat kidney
RFLNA遺伝子のフレームシフト変異をホモ接合性に認めた典型的な脊椎手根骨足根骨癒合症の一例
No full textSpondylocarpotarsal synostosis syndrome, a rare syndromic skeletal disorder characterized by disrupted vertebral segmentation with vertebral fusion, scoliosis, short stature, and carpal/tarsal synostosis, has been associated with biallelic truncating mutations in the filamin B gene or monoallelic mutations in the myosin heavy chain 3 gene. We herein report the case of a patient with a typical phenotype of spondylocarpotarsal synostosis syndrome who had a homozygous frameshift mutation in the refilin A gene (RFLNA) [c.241delC, p.(Leu81Cysfs*111)], which encodes one of the filamin-binding proteins. Refilins, filamins, and myosins play critical roles in forming perinuclear actin caps, which change the nuclear morphology during cell migration and differentiation. The present study implies that RFLNA is an additional causative gene for spondylocarpotarsal synostosis syndrome in humans and a defect in forming actin bundles and perinuclear actin caps may be a critical mechanism for the development of spondylocarpotarsal synostosis syndrome.長崎大学学位論文 学位記番号:博(医歯薬)甲第1200号 学位授与年月日:令和2年3月19日Author: Hitomi Shimizu, Satoshi Watanabe, Akira Kinoshita, Hiroyuki Mishima, Gen Nishimura, Hiroyuki Moriuchi, Koh-ichiro Yoshiura & Sumito DatekiCitation: Journal of Human Genetics, 64(5), pp.467-471, 201
ヒト血管内皮細胞とヒト脂肪幹細胞を用いた再細胞化ラット肺における細胞外マトリックスと異種抗原の変化
No full textRegenerated organs are expected to solve the problem of donor organ shortage in transplantation medicine. One approach to lung regeneration is to decellularize the organ and reseed it with selected cells. An advantage of the procedure is reduced immunogenicity, because all cells can be theoretically replaced by autologous cells. However, little is known regarding the extracellular matrix (ECM) damage during decellularization and ECM reconstruction process in the organ regeneration. We aimed to evaluate ECM damage and reconstruction of the decellularized–recellularized rat lung, including the removal of alpha-gal xenoantigens. Rat lungs were perfused with sodium dodecyl sulfate and Triton X-100 via the pulmonary artery, after which the decellularized scaffold was reseeded with rat or human endothelial cells and adipose-derived stem cell (ASCs). The ECM and alpha-gal antigen were evaluated using immunohistochemistry, western blotting, and a glycosaminoglycan assay. Alcian blue staining revealed increased production of proteoglycan following the addition of ASCs to the rat lung recellularized with rat lung microvascular endothelial cells. Glycosaminoglycan levels decreased in the decellularized lung and increased in the recellularized lung, especially in the ASC-treated group. Immunohistochemical expression of the alpha-gal protein was decreased to an undetectable level in the decellularized lung tissue and disappeared after recellularization with human cells. In western blot analysis, the bands of alpha-gal protein almost disappeared after recellularization with human cells. In conclusion, characteristics of the regenerated ECM might depend on the species and type of cells used for recellularization. Therefore, alpha-gal antigen might be eliminated after a prolonged culture, when using human cells.長崎大学学位論文 学位記番号:博(医歯薬)甲第1204号 学位授与年月日:令和2年3月4日Author: Yasumasa Hashimoto, Tomoshi Tsuchiya, Ryoichiro Doi, Keitaro Matsumoto, Yoshikazu Higami, Eiji Kobayashi, Takeshi NagayasuCitation: Journal of Tissue Engineering and Regenerative Medicine, 13(11), pp.2067-2076; 201
Application of Specific Energy in Evaluation of Geological Conditions Ahead of Tunnel Face
Full text linkIn underground construction, especially tunnel building, a detailed knowledge of the geological conditions ahead of the tunnel face is essential for both safety and efficiency of work. Many tunnel collapses have been reported to occur because of a lack of accurate evaluation of the geological conditions. While conventional horizontal boring conducted from a tunnel face provides good accuracy, it is infrequently conducted due to its high cost and time-consuming nature. In addition, the tunnel seismic reflection method has limited practicality owing to the complexity of data processing. This paper presents a new approach based on the specific energy of the mechanical drilling rig to evaluate the geological conditions ahead of the tunnel face. In order to assess the geological conditions, rock mass quality index, buried depth of the tunnel and tunnel deformation investigation were undertaken, and the obtained data were compared to the specific energy. Results from the comparison reveal the evaluation criterion that if the distribution of specific energy in some areas deviates from the distribution of buried depth, it is considered that abnormal geological conditions exist in this area. This work can greatly contribute to the accurate and effective evaluation of the geological conditions ahead of the tunnel face
Hasami ceramic from the view point of historical document - Focusing on “Kurawanka” in the 18th and 19th century -
Full text linkHasami-cho is located in the middle of Nagasaki Prefecture, northern part of Higashisonogi-gun, and is the only town in Nagasaki that does not have a coastline. Hasamicho,which belonged to the Omura-han has been mass-produced as a pottery production area since the early Edo period. Hasami-yaki has been developed as a ceramic industry along with Arita-yaki and Mikawachi-yaki through 400 years. Hasami has 36 series of climbing kilns and had not only made great achievements in spreading porcelain widely among the common people, but also been a great influence on Japanese pottery culture, especially “Kurawanka”. Kurawanka is one type of popular ceramics that have been used for a long time as decorations and tableware, and is one of the things that can be boasted as a traditional Japanese culture. Until the Edo period, ceramics were still out of reach for the common people, but Kurawanka was produced and sold in large quantities by Imari merchants in Edo and Osaka. Kurawanka had succeeded in inspiring a feeling of warmth and familiarity among the common people and played an important role in the traditional cuisine of Japan at that time
The Past and Present of Bat Trang Ceramic
Full text linkLocated on the outskirt of Hanoi, Bat Trang is well known for high-quality a traditional ceramic village. With regard to origins, there are many legends about the formation of the village. According to Complete Annals of Dai Viet, Bat Trang firstly appeared in 1352. On the other hand, according to the historical epic, people from Bo Bat Commune, Ninh Binh province settled in this land under Ly Dynasty (1010 - 1225). When King Ly Cong Uan relocated the capital in Thang Long, many businessmen, crafters from many areas go to settle
down there. Many potters came and built the kilns in Bat Trang because this village is located in an area rich in clay. Lying on the edge of the Red River, between Thang Long and Pho Hien which are two ancient trade centers in the north of Vietnam during 15th - 17th century, Bat Trang’s ceramics were favorite products not only in domestic market but also foreign ones thanks to Japan, Chinese and Western trading boats that passed by. However, in the 18th-19th century, the ceramic products couldn’t be exported to foreign countries because
of the restricting foreign trade policy of Trinh, Nguyen dynasty. Only since 1986, thanks to economic reforms and development, more attention has been vested in the village and the world gets a chance to know more about Vietnamese ceramics through impressive high quality exported ceramic products of Bat Trang. Nowadays, Bat Trang ceramic products are famous for not only in Vietnam but also in other countries in the world. The products of the villages has been exported to some countries like Japan, Korea, America,and members of European Union since 1990