• Title/Summary/Keyword: P'-spaces

Search Result 607, Processing Time 0.027 seconds

Refinement of protein NMR structures using atomistic force field and implicit solvent model: Comparison of the accuracies of NMR structures with Rosetta refinement

  • Jee, Jun-Goo
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.26 no.1
    • /
    • pp.1-9
    • /
    • 2022
  • There are two distinct approaches to improving the quality of protein NMR structures during refinement: all-atom force fields and accumulated knowledge-assisted methods that include Rosetta. Mao et al. reported that, for 40 proteins, Rosetta increased the accuracies of their NMR-determined structures with respect to the X-ray crystal structures (Mao et al., J. Am. Chem. Soc. 136, 1893 (2014)). In this study, we calculated 32 structures of those studied by Mao et al. using all-atom force field and implicit solvent model, and we compared the results with those obtained from Rosetta. For a single protein, using only the experimental NOE-derived distances and backbone torsion angle restraints, 20 of the lowest energy structures were extracted as an ensemble from 100 generated structures. Restrained simulated annealing by molecular dynamics simulation searched conformational spaces with a total time step of 1-ns. The use of GPU-accelerated AMBER code allowed the calculations to be completed in hours using a single GPU computer-even for proteins larger than 20 kDa. Remarkably, statistical analyses indicated that the structures determined in this way showed overall higher accuracies to their X-ray structures compared to those refined by Rosetta (p-value < 0.01). Our data demonstrate the capability of sophisticated atomistic force fields in refining NMR structures, particularly when they are coupled with the latest GPU-based calculations. The straightforwardness of the protocol allows its use to be extended to all NMR structures.

Microbiological Contamination in Office Buildings by Work Space Structure (사무공간 구조에 따른 실내공기 중 생물학적 오염분포 특성)

  • Won, Dong-Hwan;Huh, Eun-Hae;Jeong, Ho-Chul;Moon, Kyong-Whan
    • Journal of Environmental Health Sciences
    • /
    • v.38 no.3
    • /
    • pp.213-222
    • /
    • 2012
  • Objectives: This study was undertaken in order to evaluate by work space zoning and structure the concentrations of biological contaminants in the indoor air of domestic office buildings. Methods: Air samples were collected in the office spaces of 15 office buildings in Seoul from June 28 to July 28, 2011. Prior to the sampling, each office was classified into 'open-plan office', 'cellular office' and 'mixed office' according to the work space zoning. To evaluate the biological contamination of indoor air, total suspended bacteria (TSB), Gram positive bacteria (GPB), Staphylococcus aureus (S.A), Methicillin-resistant Staphylococcus aureus (MRSA), Gram negative bacteria (GNB) and fungi were investigated. During the sampling, temperature, relative humidity and carbon dioxide ($CO_2$) were measured. Results: The TSB concentrations ($GM{\pm}GSD$) were $452({\pm}1.3)cfu/m^3$ in open-plan offices, $366({\pm}1.3)cfu/m^3$ in cellular offices and $287({\pm}1.5)cfu/m^3$ in mixed offices, and there were significant differences between the three groups (p<0.05). The highest concentrations ($GM{\pm}GSD$) of fungi were found in the indoor air of cellular offices $128({\pm}1.0)cfu/m^3$, which was at least three times higher than the concentrations in mixed offices $43({\pm}1.0)cfu/m^3$ (p<0.05). Conclusions: Microbiological contamination in the indoor air of office buildings by work space structure was the highest with the open-plan office layout which includes no high walls or doors separating the occupants.

Analysis of the embrasure dimensions between maxillary central incisors in relation to the topography of the interdental papilla

  • Kim, Sun-A;Choi, Seung-Suk;Byun, Soo-Jung;Chang, Moon-Taek
    • Journal of Periodontal and Implant Science
    • /
    • v.41 no.6
    • /
    • pp.273-278
    • /
    • 2011
  • Purpose: To analyze the dimensions of the embrasure space between the maxillary central incisors as potential factors influencing interdental papilla fill and height. Methods: The embrasure dimensions between the maxillary central incisors of 100 subjects (40 females/60 males) were assessed with clinical, study model, and radiographic examinations. Variables of the complete and deficient papilla fill groups were compared. Multiple regression analyses were performed to investigate potential influence of the distance between the contact point and bone crest (CP_BC), horizontal interdental distance (HID), and facio-lingual thickness (FLT) at the papilla base on complete/deficient papilla fill and papilla height (PH). Results: CP_BC was the only variable that showed a significant difference between the complete and deficient papilla groups (P<0.05). When the CP_BC was less than 5 mm, the embrasure spaces between the maxillary central incisors were completely filled with interdental papilla. Multiple regression analyses revealed that a significant predictor for complete/deficient papilla fill was CP_BC, and significant predictors for PH were CP_BC and HID (P<0.05). Conclusions: The chances of complete papilla fill increased as CP_BC decreased, while PH increased as CP_BC and HID increased. However, the FLT of the papilla base did not appear to affect papilla fill or PH. From an esthetic perspective, CP_BC as well as HID should be considered as factors influencing the topography of interdental papilla.

Spacing and crowding of the primary dentition in Korean children - relationship to tooth sizes and dental arch dimension (한국인 아동의 유치열기의 특성 - 치아 치열궁의 관계)

  • Im, Dong-Hyuk;Kim, Tae-Woo;Nahm, Dong-Seok;Chang, Young-Il
    • The korean journal of orthodontics
    • /
    • v.36 no.1 s.114
    • /
    • pp.84-90
    • /
    • 2006
  • The aims of this study were to investigate the prevalence of spaced, closed, and crowded primary dentitions by sex and arch in Korean children from Kanghwa, and to determine the frequency of the primate and developmental spaces. The differences in the mesiodistal crown diameters and the arch dimensions between the spaced, closed, and crowded primary dentitions were also evaluated. Dental casts of 102 preschool children (57 males and 45 females, aged $4{\sim}5$ years) were studied. The prevalence of spacing in the primary dentition was 63.2% In males and 57.8% in females. The frequency of spacing was greater in males than in females, and greater in the maxillary arch than in the mandibular arch. The crowns were significantly larger and the arches significantly narrower in closed and crowded dentitions than in those with spacing (p<0.05). The results showed that the prevalence of spacing was lower than that found in previous studies and the presence of spacing in the anterior region was related to the mesiodistal crown diameter and the intercanine width.

Morphometric Studies on the Testis Interstitium of Korean Ring-Necked Pheasants (Phasianus colchicus karpowi) during the Breeding and Nonbreeding Seasons (번식기와 비번식기의 한국산 꿩 고환간질조직의 형태계측학적 연구)

  • Kim, In-Shik
    • Korean Journal of Veterinary Research
    • /
    • v.42 no.3
    • /
    • pp.299-308
    • /
    • 2002
  • The purpose of this morphometric study was to obtain detailed quantitative information on all cell types in the testis interstitium of Korean ring-necked pheasants combined with data on changes in the steroidogenic function of the testis during the breeding and nonbreeding seasons. Animals collected during the breeding season, testis weights, sperm production, serum testosterone levels, leuteinizing hormone-stimulated testosterone secretion, and the length of the seminiferous tubules were significantly (p < 0.05) increased as compared to the nonbreeding season. Seminiferous tubules occupied 93.25% of testis volume in the breeding season. Leydig cells constituted 0.82% of the testicular volume. The mean volume of an Leydig cell was $1039{\mu}m^3$, and each testis contained about 24.53 million Leydig cells. Testes of the pheasants during the nonbreeding season displayed a 98% reduction in testis volume that was associated with a decrease in the absolute volume of seminiferous tubules (98% reduction), tubular lumen(100%), interstitium(90%), blood vessels(84%), lymphatic spaces(97%), Leydig cells(79%), mesenchymal cells(51%), and myoid cells(61%). The number of Leydig cells, mesenchymal cells, myoid cells per testis in the breeding season was higher (p < 0.05) than in the nonbreeding season. Although the average volume of a Leydig cell was 74% lower in the nonbreeding season, the average volume of a myoid and mesenchymal cell remained unchanged. These results demonstrate that there are a striking differences in the testicular structure of the Korean ring-necked pheasant in the breeding and nonbreeding seasons. Every structural parameter of the Leydig cell was pasitively correlated with both serum and LH-stimulated secretion concentrations of testosterone. Correlation of changes in hormonal status with morphometric alterations of all Leydig cell suggests that the Korean-ring necked pheasant may be used as a model to study structure-function relations in the avian testis.

Minimally Invasive Transforaminal Lumbar Interbody Fusion Using a Single Interbody Cage and a Tubular Retraction System : Technical Tips, and Perioperative, Radiologic and Clinical Outcomes

  • Lee, Chang-Kyu;Park, Jeong-Yoon;Zhang, Ho-Yeol
    • Journal of Korean Neurosurgical Society
    • /
    • v.48 no.3
    • /
    • pp.219-224
    • /
    • 2010
  • Objective : A minimally invasive transforaminal lumbar interbody fusion (MIS TLlF) has recently been introduced. However, MIS TLlF is a technically challenging procedure. The authors performed retrospective analysis about MIS TLlF using a single interbody cage. Methods : Twenty-eight consecutive patients were treated by MIS TLlF. Of these 28 patients, 20 patients were included in this retrospective study. Perioperative, clinical, and radiologic outcomes were assessed. Clinical outcomes were assessed using Oswestry Disability Index (ODI) and Visual Analogue Scores (VAS). Fusion rates and cross-sections of operated spinal canals were assessed by CT. Results : Twelve patients underwent MIS TLlF at one segment and 8 patients at two segments (L3/4: 4, L4/5: 17, L5/S1: 7). Operation time for a single segment was 131.7 min and for two segment was 201.4 min, and corresponding blood losses were 208.3 mL and 481.2 mL, respectively. ODI and VAS scores were significantly improved at 6 months postop (ODI from 30.32 to 15.54, VAS from 7.80 to 2.20, p = 0.001) Twenty-two segments (78.6%) achieved grade I fusion, 4 segments (14.3%) achieved grade II, 2 segments (7.1%) achieved grade III and 0 segments achieved grade IV at 12 months. Postoperatively at 12 months, spinal canal cross sectional areas at disc spaces significantly increased from 157.5 to $294.3\;mm^2$ (p = 0.012). Conclusion : MIS TLlF achieved good clinical outcomes and high fusion rates. Our findings show that MIS TLlF performed with a single Interbody cage and a tubular retractor system can be used as a standard MIS TLlF technique.

A TOMOGRAPHIC STUDY OF CONDYLAR POSITION IN ASYMPTOMATIC SUBJECTS WITH MALOCCLUSION (부정교합자의 하악과두 위치에 관한 단층방사선학적 연구)

  • Kim Young Ju;Ko Kwang Jun
    • Journal of Korean Academy of Oral and Maxillofacial Radiology
    • /
    • v.19 no.1
    • /
    • pp.105-121
    • /
    • 1989
  • The author analysed tomograms and submento-vertex radiograms of 90 temporomandibular joints from 45 asymptomatic young adults. 15 had Angle class Ⅰ malocclusion, 15 classⅡ and 15 class Ⅲ. Corrected lateral tomograms were obtained in three condylar positions; centric occlusion, centric relation and 1 inch mouth opening. The condylar angulation, depth of cut, joint spaces were analysed in each radiogram. The obtained results were as follows; 1. The mean condylar angulation in Angle class Ⅰ, Ⅱ, Ⅲ group was 17.55±5.51° 13.33±8.85° 16.25±6.60° respectively, and there was no significant difference in each group. The mean condylar angulation of right side (16.62±7.23°) was larger than left side (14.80±7.33°). 2. The mean depth of cut in Angle class Ⅰ, Ⅱ, Ⅲ group was 8.13±1.61㎝, 3.05±3.80㎝, 7.75±2.19㎝, respectively. Angle class Ⅰ and class Ⅱ group revealed significant difference in measurement (p<0.0l). 3. The mean height of articular fossa in Angle class Ⅰ, Ⅱ, Ⅲ group was 8.67±3.06㎜, 9.61±2.57㎜, 8.93±2.83㎜, respectively. And the mean width of articular fossa was 19.90±2.80㎜, 19.48±3.83㎜, 20.36±4.82㎜, respectively. 4. The mean height and width of condylar head was 5.11±1.16㎜, 11.20±2.26㎜, respectively. 5. In centric occlusion, the superior joint space was the largest (3.42±1.42㎜), followed by anterior joint space (2.94±1.95㎜) and the posterior joint space (2.64±1.19㎜. In centric relation, the anterior joint space was the largest (3.86±2.17㎜), followed by the superior joint space (3.64±3.68㎜) and the posterior joint space (1.18±0.77㎜). 6. The displaced measurement from centric relation to centric occlusion was 1.10±1.04㎜ anteriorly and 0.24±0.97㎜ inferiorly. In 1 inch mouth opening state, the condylar head displaced posteroinferiorly (2.49±2.49㎜ posteriorly, 1.17±1.34㎜ inferiorly) from the apex of articular eminence. And Angle class Ⅰ and Ⅱ group, Angle class Ⅱ and Ⅲ group revealed significant difference in posterior measurement, respectively (p<0.01).

  • PDF

Current Status of Infection Prevention and Control Programs for Emergency Medical Personnel in the Republic of Korea

  • Oh, Hyang Soon;Uhm, Dong Choon
    • Journal of Preventive Medicine and Public Health
    • /
    • v.48 no.6
    • /
    • pp.330-341
    • /
    • 2015
  • Objectives: Emergency medical personnel (EMPs) are pre-hospital emergency responders who are at risk of exposure to infections and may also serve as a source for the transmission of infections. However, few studies of infection control have specifically addressed EMPs in the Republic of Korea (hereafter Korea). The goal of this study was to assess the current status of infection prevention and control programs (IPCPs) for EMPs in Korea. Methods: A cross-sectional survey was conducted to quantitatively assess the resources and activities of IPCPs. A total of 907 EMPs in five metropolitan cities completed a structured questionnaire from September 2014 to January 2015. The data were analyzed using descriptive statistics, multi-response analysis, and the chi-square test. Results: The mean age of the participants was $34.8{\pm}15.1years$. IPCPs were found to have weaknesses with regard to the following resources: the assignment of infection control personnel (ICP) (79.5%), hand hygiene resources such as waterless antiseptics (79.3%), the use of paper towels (38.9%), personal protective equipment such as face shields (46.9%), and safety containers for sharps and a separated space for the disposal of infectious waste (10.1%). Likewise, the following activities were found to be inadequately incorporated into the workflow of EMPs: education about infection control (77.5%), post-exposure management (35.9%), and the decontamination of items and spaces after use (88.4%). ICP were found to have a significant effect on the resources and activities of IPCPs (p<0.001). The resources and activities of IPCPs were found to be significantly different among the five cities (p<0.001). Conclusions: IPCPs for EMPs showed some limitations in their resources and activities. IPCPs should be actively supported, and specific IPCP activities for EMPs should be developed.

Effect of cement space on the marginal and internal fit of zirconia restorations fabricated by CAD/CAM system (시멘트 공간이 캐드캠 시스템으로 제작한 지르코니아 수복물의 변연과 내부 적합도에 미치는 효과)

  • Lee, Jung-Hwan;Ahn, Jae-Seok
    • Journal of Technologic Dentistry
    • /
    • v.39 no.4
    • /
    • pp.235-242
    • /
    • 2017
  • Purpose: The aim of this study was to evaluate the marginal and internal gap of zirconia copings fabricated by CAD/CAM system and to research the effect of cement space on the fit of zirconia prosthesis. Methods: Zirconia copings were designed using 3shape software and then milled from presintered zirconia blocks by Kavo dental milling machine. The cement space was set at $0{\mu}m$ around the margins for all groups, and additional cement space appling 1 mm above the finish lines of tooth. The samples were classified into 4 groups according to the cement space setting(Cs-0, Cs-40, Cs-80, Cs-120). Replica technique used to investigate marginal and internal gap. The silicone film thickness was recorded using a optical microscope with image software analysis system at 75${\times}$magnification. The assessment performed on the six points in bucco-lingual and mesio-distal sections(4 groups, 10 copings per group, 12 measuring points per coping). The data were statistically analyzed with one-way ANOVA followed by pair-wise Tukey's post hoc tests(${\alpha}$<0.05). Results: Better marginal and internal fit values were exhibited by $80{\mu}m$ cement space. The results showed that different cement space values had statistically significant effect on the marginal and internal gap of zirconia copings(p<0.001). The gap of margin and axial wall area was smaller than that the gap of occlusal area in all groups(p<0.001). Conclusion : Effect of different cement spaces on the marginal and internal gap of zirconia copings.

Experimental and modelling study of clay stabilized with bottom ash-eco sand slurry pile

  • Subramanian, Sathyapriya;Arumairaj, P.D.;Subramani, T.
    • Geomechanics and Engineering
    • /
    • v.12 no.3
    • /
    • pp.523-539
    • /
    • 2017
  • Clay soils are typical for their swelling properties upon absorption of water during rains and development of cracks during summer time owing to the profile desorption of water through the inter-connected soil pores by water vapour diffusion leading to evaporation. This type of unstable soil phenomenon by and large poses a serious threat to the strength and stability of structures when rest on such type of soils. Even as lime and cement are extensively used for stabilization of clay soils it has become imperative to find relatively cheaper alternative materials to bring out the desired properties within the clay soil domain. In the present era of catastrophic environmental degradation as a side effect to modernized manufacturing processes, industrialization and urbanization the creative idea would be treating the waste products in a beneficial way for reuse and recycling. Bottom ash and ecosand are construed as a waste product from cement industry. An optimal combination of bottom ash-eco sand can be thought of as a viable alternative to stabilize the clay soils by means of an effective dispersion dynamics associated with the inter connected network of pore spaces. A CATIA model was created and imported to ANSYS Fluent to study the dispersion dynamics. Ion migration from the bottom ash-ecosand pile was facilitated through natural formation of cracks in clay soil subjected to atmospheric conditions. Treated samples collected at different curing days from inner and outer zones at different depths were tested for, plasticity index, Unconfined Compressive Strength (UCS), free swell index, water content, Cation Exchange Capacity (CEC), pH and ion concentration to show the effectiveness of the method in improving the clay soil.