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Sample records for bony bonding studies

  1. Calcification mechanism and bony bonding studies of calcium carbonate and composite aluminosilicate/calcium phosphate applied as biomaterials by using radioactivation methods

    International Nuclear Information System (INIS)

    Oudadesse, H.; Derrien, A.C.; Lucas-Girot, A.; Martin, S.; Cathelieau, G.

    2007-01-01

    Bony grafts are used as a filling biomaterial for defective bone. The introduction of new range of synthetic materials offers to surgeons additional possibilities to avoid virus transmission risks by using natural grafts in bony surgery. In this work, two materials, synthetic calcium carbonate and composite aluminosilicate/calcium phosphate were synthesized by an original method and experimented 'in vivo' as biomaterials for bony filling. Extracted biopsies were studied by several physico chemical and biological methods. The aim was to evaluate the kinetic resorption and bioconsolidation of these materials. We focused on the bioconsolidation between implant and bone by realising cartographies from the implant to the bone and on the calcification mechanism by determination of the origin of Ca and Sr responsible of the neo-formed bone. Neutron activation analysis (NAA), radiotracers 45 Ca* and 85 Sr* and proton-induced X-ray emission (PIXE) were used. Concerning the synthetic calcium carbonate, results show that twelve months after implantation, the mineral composition of implant becomes similar to that of the mature bone. The neoformed bone is composed with Ca and Sr coming from the organism when the Ca and Sr of the implant were progressively eliminated. Concerning the composite geopolymer/calcium phosphate, PIXE and histological studies reveal the intimate links between the bone and the implant starting with the first month after implantation. (author)

  2. Radiographic Study on the Bony Changes of Mandibular Condyle Head in Temporomandibular Disorder Patients

    International Nuclear Information System (INIS)

    Park, Moo Soon; You, Dong Soo

    1989-01-01

    The author has studied radiographic bony changes of mandibular condyle head in temporomandibular disorder patients using Oblique lateral transcranial projection, Orthopantomography, and Tomography. The bony change types and the frequencies of occurrence and the incidences of bony changes in three different radiographic techniques were examined. The coincidences of body change types between the Oblique lateral transcranial projection and the lateral part of Tomogram, the Orthopantomogram and the medial part of Tomogram were also examined. The results were as follows: 1. The mean age of patients was 31.7 years and under 40 years were 24 patients, women were 27 patients, men were 4 patients. 2. The observable cases of bony changes in all three radiographic techniques were 19 cases (50%) of 38 cases and the observable cases of bony changes in only Tomography were 5 cases (13.2%). 3. The most frequent radiographic bony change type was osteophyte and next orders were flattening, erosion, concavity. 4. The positional incidences of bony changes in Tomogram were 31 cases in lateral part and 27 cases in central part. 5. The coincidence of bony change types between the oblique lateral transcranial projection and the lateral part of Tomogram was 80%, and the coincidence between the Orthopantomogram and the medial part of Tomogram was 76.9%.

  3. Condylar bony changes in patients with temporomandibular disorders: a CBCT study

    Energy Technology Data Exchange (ETDEWEB)

    Nah, Kyung Soo [Dept. of Oral and Maxillofacial Radiology, School of Dentistry, Pusan National University, Yangsan (Korea, Republic of)

    2012-09-15

    Diagnosis of osteoarthritis most commonly depends on clinical and radiographic findings. The present study attempted to observe the bony changes in temporomandibular joint (TMJ) patients from all age groups. The first-visit clinical records and cone beam computed tomography (CBCT) data of 440 TMJs from 220 consecutive TMJ patients were reviewed retrospectively. The most frequent condylar bony change observed was sclerosis (133 joints, 30.2%) followed by surface erosion (129 joints, 29.3%), flattening of the articular surface (112 joints, 25.5%), and deviation in form (58 joints, 13.2%), which included 33 TMJs in a cane-shape, 16 with a lateral or medial pole depression, 6 with posterior condylar surface flattening, and 3 with a bifid-shaped condyle. Fifty-three joints (12.0%) showed hypoplastic condyles but only 1 joint showed hyperplasia. Osteophyte was found in 35 joints (8.0%) and subcortical cyst in 24 joints (5.5%), 5 of which had surface erosion as well. One hundred nineteen joints (27.0%) had only one kind of condylar bony change, 66 joints (15.0%) had two, 52 joints (11.8%) had three, 12 joints (5.0%) had four, and 6 joints (1.4%) had five kinds of condylar bony changes at the same time. Eighty-five (65.9%) of 129 joints with surface erosion had pain recorded at the chief complaint. With more widespread use of CBCT, more specific or detailed guidelines for osteoarthritis are needed.

  4. Condylar bony changes in patients with temporomandibular disorders: a CBCT study

    International Nuclear Information System (INIS)

    Nah, Kyung Soo

    2012-01-01

    Diagnosis of osteoarthritis most commonly depends on clinical and radiographic findings. The present study attempted to observe the bony changes in temporomandibular joint (TMJ) patients from all age groups. The first-visit clinical records and cone beam computed tomography (CBCT) data of 440 TMJs from 220 consecutive TMJ patients were reviewed retrospectively. The most frequent condylar bony change observed was sclerosis (133 joints, 30.2%) followed by surface erosion (129 joints, 29.3%), flattening of the articular surface (112 joints, 25.5%), and deviation in form (58 joints, 13.2%), which included 33 TMJs in a cane-shape, 16 with a lateral or medial pole depression, 6 with posterior condylar surface flattening, and 3 with a bifid-shaped condyle. Fifty-three joints (12.0%) showed hypoplastic condyles but only 1 joint showed hyperplasia. Osteophyte was found in 35 joints (8.0%) and subcortical cyst in 24 joints (5.5%), 5 of which had surface erosion as well. One hundred nineteen joints (27.0%) had only one kind of condylar bony change, 66 joints (15.0%) had two, 52 joints (11.8%) had three, 12 joints (5.0%) had four, and 6 joints (1.4%) had five kinds of condylar bony changes at the same time. Eighty-five (65.9%) of 129 joints with surface erosion had pain recorded at the chief complaint. With more widespread use of CBCT, more specific or detailed guidelines for osteoarthritis are needed.

  5. A tomographic study of positional and bony changes in the temporomandibular joint following orthognathic surgery

    International Nuclear Information System (INIS)

    Song, Nam Kyu; Kim Min Suk; Koh, Kwang Joon

    1992-01-01

    The purpose of this study was to aid in the evaluation of prognosis of temporomandibular joint following orthognathic surgery. For this study, 20 patients (40 TMJ) who undergone orthognathic surgery were examined. Preoperative and postoperative tomograms of TMJ were taken. And the subjects were divided into 3 groups according to postoperative periods. The obtained results were as follows : 1. There were no significant differences between preoperative and postoperative changes in joint spaces in each group and between groups (P<0.05). 2. There were no significant differences between preoperative and postoperative ratio of joint spaces (P<0.05).3. There were no significant differences between preoperative and postoperative changes in the range of motion of condylar head (P<0.05). 4. The bony changes of condylar head were observed in 14 (35%) condyles (6 erosion, 2 flattening, 5 double contour, 1 osteophyte).

  6. A tomographic study of positional and bony changes in the temporomandibular joint following orthognathic surgery

    Energy Technology Data Exchange (ETDEWEB)

    Song, Nam Kyu; Kim Min Suk; Koh, Kwang Joon [Dept. of Oral Radiology, College of Dentistry, Chonpook National University, Chonju (Korea, Republic of)

    1992-08-15

    The purpose of this study was to aid in the evaluation of prognosis of temporomandibular joint following orthognathic surgery. For this study, 20 patients (40 TMJ) who undergone orthognathic surgery were examined. Preoperative and postoperative tomograms of TMJ were taken. And the subjects were divided into 3 groups according to postoperative periods. The obtained results were as follows : 1. There were no significant differences between preoperative and postoperative changes in joint spaces in each group and between groups (P<0.05). 2. There were no significant differences between preoperative and postoperative ratio of joint spaces (P<0.05).3. There were no significant differences between preoperative and postoperative changes in the range of motion of condylar head (P<0.05). 4. The bony changes of condylar head were observed in 14 (35%) condyles (6 erosion, 2 flattening, 5 double contour, 1 osteophyte).

  7. A clinico-radiologic study of bony remodeling of the fractured condyles in children

    International Nuclear Information System (INIS)

    Cho, Jeong Shin; Park, Chang Seo

    1995-01-01

    Bony remodeling pattern of condyle fractures in children are different from in adult for growing of condyle, also might affect treatment and prognosis of the condyle fracture. Subjects of this clinical and radiologic study were 26 temporomandibular joints diagnosed as condyle fracture in 23 patients under 15 years old age, They were treated with conservative method at Dental Hospital of Yonsei University from Jan., 1986 to Oct., 1994. Bony remodeling related with fracture pattern was evaluated. The results obtained are as follows: 1. The ratio of male to female in patients with condyle fracture was 1 : 0.9 and the difference of sex ratio was not noted. Comparing with preschool-age group and school-age group, age frequency was higher in preschool-age group (83%). 2. Fallen down (54%) was the most frequent cause of condyle fractures. Traffic accident and slip down were followed. 3. The most common clinical sign of condyle fractures was tenderness to palpation (19 cases). Mouth opening limitation (17 cases), swelling (7 cases), malocclusion (3 cases) were next in order. 4. According to sites of condyle fractures, unilateral fractures were in 20 patients and bilateral fractures in 3 patients, therefore total 23 patients-26 cases of condyle fracture were observed. According to fracture distribution, condyle fractures were in 10 patients (44%). Condyle fractures with symphysis fracture (9 patients, 39%), condyle fractures with ascending ramus fracture (2 patients, 9%), condyle fracture with mandibular body fracture (1 patient, 4%), and condyle fractures with mandibular angle fracture (1 patient, 4%) were followed. 5. In displacement pattern of fractured fragment of mandibular condyle, displacement (17 cases, 66%) was most common. Dislocation (5 cases, 19%) and deviation (4 cases, 15%) were next in order. 6. During the observation period of fractured condyles, remodeling patterns of fracture sites related with articular fossa were observed with usual congealer shape in 23

  8. A clinico-radiologic study of bony remodeling of the fractured condyles in children

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Jeong Shin; Park, Chang Seo [Department of Dentistry, The Graduate School, Yonsei University, Seoul (Korea, Republic of)

    1995-08-15

    Bony remodeling pattern of condyle fractures in children are different from in adult for growing of condyle, also might affect treatment and prognosis of the condyle fracture. Subjects of this clinical and radiologic study were 26 temporomandibular joints diagnosed as condyle fracture in 23 patients under 15 years old age, They were treated with conservative method at Dental Hospital of Yonsei University from Jan., 1986 to Oct., 1994. Bony remodeling related with fracture pattern was evaluated. The results obtained are as follows: 1. The ratio of male to female in patients with condyle fracture was 1 : 0.9 and the difference of sex ratio was not noted. Comparing with preschool-age group and school-age group, age frequency was higher in preschool-age group (83%). 2. Fallen down (54%) was the most frequent cause of condyle fractures. Traffic accident and slip down were followed. 3. The most common clinical sign of condyle fractures was tenderness to palpation (19 cases). Mouth opening limitation (17 cases), swelling (7 cases), malocclusion (3 cases) were next in order. 4. According to sites of condyle fractures, unilateral fractures were in 20 patients and bilateral fractures in 3 patients, therefore total 23 patients-26 cases of condyle fracture were observed. According to fracture distribution, condyle fractures were in 10 patients (44%). Condyle fractures with symphysis fracture (9 patients, 39%), condyle fractures with ascending ramus fracture (2 patients, 9%), condyle fracture with mandibular body fracture (1 patient, 4%), and condyle fractures with mandibular angle fracture (1 patient, 4%) were followed. 5. In displacement pattern of fractured fragment of mandibular condyle, displacement (17 cases, 66%) was most common. Dislocation (5 cases, 19%) and deviation (4 cases, 15%) were next in order. 6. During the observation period of fractured condyles, remodeling patterns of fracture sites related with articular fossa were observed with usual congealer shape in 23

  9. Study of bony trabecular characteristics using bone morphometry and micro-CT

    International Nuclear Information System (INIS)

    Song, Young Han; Lee, Wan; Lee, Chang Jin; Ji, Jung Hyun; Lee, Byung Do

    2007-01-01

    The research was done to investigate the effectiveness of 2D bony morphometry and microstructure of micro-computed tomography (micro-CT) on the osteoporotic bony change. We performed the bone morphometric analysis of proximal femur in ovariectomized rabbits with BMD and micro-CT examination. Twenty-one female (Newzeland, about 16 weeks old, 2.9-3.4 kg) rabbits were used. Three rabbits were sacrificed on the day when experiment began (Basline). The remaining 18 rabbits were divided into two groups. One group was ovariectomized bilaterally (OVX) and the other animals were subjected to sham operation (Sham). Bone specimens were obtained from the right and left femur of sacrificed rabbits. At intervals of 1,2,3,5,6 months respectively, BMD tests were performed on the proximal on the proximal femur by using PIXImus 2 (GE Lunar Co. USA), 2-dimensional bone morphometric analysis by custom computer program and 2D / 3D bone structure analysis by micro-CT (Skyscan1072, Antwerpen, Belgium). Statistical analysis was carried out for the correlation between bone morphometry, micro-CT and BMD. BV/TV, Tb.Th, Tb.N of micro-CT parameters showed higher values in sham group than OVX group. N.Nd/Ar.RI, N.NdNd, N.NdTm, N. TmTm, PmB/Ar.RI, 3-D BoxSlope of 2D morphometric parameters showed higher values in Sham group than OVX group. The micro-CT parameters of Tb.Sp. Tb.N were statistically significant correlated with BMD respectively. Several 2D morphometric parameters were statistically significant correlated with BMD respectively. Several parameters of 2D bony morphometry and micro-CT showed effective aspects on the osteoporotic bony change

  10. A clinical study on the efficacy of hydroxyapatite - Bioactive glass composite granules in the management of periodontal bony defects

    Directory of Open Access Journals (Sweden)

    Tirthankar Debnath

    2014-01-01

    Full Text Available Background: In periodontal regeneration, several alloplastic materials are being used with a goal to reconstruct new osseous tissue in the infrabony defect sites. The present study was undertaken to evaluate the efficacy of hydroxyapatite-bioactive glass (HA:BG composite granules in the management of periodontal bony defects. Materials and Methods: A randomized control study was conducted. Subjects with infrabony defects were divided into three groups. Test Group 1 (n = 10: Defect site was treated with HA:BG, with a biodegradable membrane. Test Group 2 (n = 10: Defect site was treated with HAP, with a biodegradable membrane. Control group (n = 10: Defect site was treated with open flap debridement with a biodegradable membrane Results: The healing of defects was uneventful and free of any biological complications. The gain in clinical attachment level, reduction of probing pocket depth, and defect fill were statistically significant in all three groups. TG1 sites showed significant defect fill than TG2 and CG sites. Conclusion: The performance of HA:BG was better compared to HAP and open flap debridement for the reconstruction of infrabony defects.

  11. Appearance of bony lesions on 3-D CT reconstructions: a case study in variable renderings

    Science.gov (United States)

    Mankovich, Nicholas J.; White, Stuart C.

    1992-05-01

    This paper discusses conventional 3-D reconstruction for bone visualization and presents a case study to demonstrate the dangers of performing 3-D reconstructions without careful selection of the bone threshold. The visualization of midface bone lesions directly from axial CT images is difficult because of the complex anatomic relationships. Three-dimensional reconstructions made from the CT to provide graphic images showing lesions in relation to adjacent facial bones. Most commercially available 3-D image reconstruction requires that the radiologist or technologist identify a threshold image intensity value that can be used to distinguish bone from other tissues. Much has been made of the many disadvantages of this technique, but it continues as the predominant method in producing 3-D pictures for clinical use. This paper is intended to provide a clear demonstration for the physician of the caveats that should accompany 3-D reconstructions. We present a case of recurrent odontogenic keratocyst in the anterior maxilla where the 3-D reconstructions, made with different bone thresholds (windows), are compared to the resected specimen. A DMI 3200 computer was used to convert the scan data from a GE 9800 CT into a 3-D shaded surface image. Threshold values were assigned to (1) generate the most clinically pleasing image, (2) produce maximum theoretical fidelity (using the midpoint image intensity between average cortical bone and average soft tissue), and (3) cover stepped threshold intensities between these two methods. We compared the computer lesions with the resected specimen and noted measurement errors of up to 44 percent introduced by inappropriate bone threshold levels. We suggest clinically applicable standardization techniques in the 3-D reconstruction as well as cautionary language that should accompany the 3-D images.

  12. Manufacturing study of beryllium bonded structures

    International Nuclear Information System (INIS)

    Onozuka, M.; Hirai, S.; Kikuchi, K.; Oda, Y.; Shimizu, K.

    2004-01-01

    Manufacturing study has been conducted on Be-bonded structures employed in the first-wall panel of the blanket system for the ITER. For Be tiles bonded to the Cu-Cr-Zr alloy heat sink with stainless-steel cooling pipes, a one-axis hot press with two heating process has been used to bond the three materials. First, Cu-alloy and SS materials are bonded diffusively. Then, Be tiles are bonded to the pre-bonded structure under 20 MPa and at 560 degree C. An Al-Si base interlayer has been used to bond Be to the Cu-Alloy. Because of the limited heat processes using a conventional hot press, the manufacturing cost can be minimized. Using the above bonding techniques, a partial mockup of a blanket first-wall panel with 16 Be tiles (with 50 mm in size) has been successfully manufactured. (author)

  13. Phylogenetic classification of bony fishes.

    Science.gov (United States)

    Betancur-R, Ricardo; Wiley, Edward O; Arratia, Gloria; Acero, Arturo; Bailly, Nicolas; Miya, Masaki; Lecointre, Guillaume; Ortí, Guillermo

    2017-07-06

    Fish classifications, as those of most other taxonomic groups, are being transformed drastically as new molecular phylogenies provide support for natural groups that were unanticipated by previous studies. A brief review of the main criteria used by ichthyologists to define their classifications during the last 50 years, however, reveals slow progress towards using an explicit phylogenetic framework. Instead, the trend has been to rely, in varying degrees, on deep-rooted anatomical concepts and authority, often mixing taxa with explicit phylogenetic support with arbitrary groupings. Two leading sources in ichthyology frequently used for fish classifications (JS Nelson's volumes of Fishes of the World and W. Eschmeyer's Catalog of Fishes) fail to adopt a global phylogenetic framework despite much recent progress made towards the resolution of the fish Tree of Life. The first explicit phylogenetic classification of bony fishes was published in 2013, based on a comprehensive molecular phylogeny ( www.deepfin.org ). We here update the first version of that classification by incorporating the most recent phylogenetic results. The updated classification presented here is based on phylogenies inferred using molecular and genomic data for nearly 2000 fishes. A total of 72 orders (and 79 suborders) are recognized in this version, compared with 66 orders in version 1. The phylogeny resolves placement of 410 families, or ~80% of the total of 514 families of bony fishes currently recognized. The ordinal status of 30 percomorph families included in this study, however, remains uncertain (incertae sedis in the series Carangaria, Ovalentaria, or Eupercaria). Comments to support taxonomic decisions and comparisons with conflicting taxonomic groups proposed by others are presented. We also highlight cases were morphological support exist for the groups being classified. This version of the phylogenetic classification of bony fishes is substantially improved, providing resolution

  14. The anterior cruciate ligament: a study on its bony and soft tissue anatomy using novel 3D CT technology.

    Science.gov (United States)

    Tampere, Thomas; Van Hoof, Tom; Cromheecke, Michiel; Van der Bracht, Hans; Chahla, Jorge; Verdonk, Peter; Victor, Jan

    2017-01-01

    The purpose of this study is twofold: first, to visualize both the tibial and femoral bony insertion surfaces and second, to describe the anterior cruciate ligament (ACL) geometrically, using novel 3D CT imaging. In addition, new concepts of best-fit cylinder and central axis are introduced and evaluated. Eight unpaired knees of embalmed cadavers were used in this study. Following the dissection process, the ACL was injected with a contrast medium for CT imaging. The obtained CT images in extension, 45°, 90° and full flexion were segmented and rendered in 3D allowing morphological and morphometric analysis of the ACL. Anatomical footprint centres, femoral and tibial footprint surface area, best-fit ACL-cylinder intersection area, best-fit ACL-cylinder/footprint coverage ratio, best-fit ACL-cylinder central axis projections at the tibial and femoral footprint in the four positions were used to describe the anatomy of the ACL, based on the Bernard, Hertel and Amis grid. Based on these parameters, with the best-fit cylinder representing the bulk of the ACL, a changing fibre-recruitment pattern was seen with a moving position of the central axis from posterior to anterior on the femoral and tibial footprint, going from extension to flexion. Furthermore, the numerical data show an increase in tibial footprint coverage by the best-fit cylinder through the ACL when the knee is progressively flexed, whereas an inverse relationship was seen on the femoral side. This study is the first to describe the detailed anatomy of the human ACL with respect to its course and footprints using a 3D approach. It confirms the large difference and inter-patient variability between the tibial and femoral footprint area with the former being significantly smaller. The best-fit cylinder concept illustrates the recruitment pattern of the native ACL where in extension the postero-lateral fibres are recruited and in flexion rather the antero-medial bundle, which can be valuable information in

  15. 1 mil gold bond wire study.

    Energy Technology Data Exchange (ETDEWEB)

    Huff, Johnathon; McLean, Michael B.; Jenkins, Mark W.; Rutherford, Brian Milne

    2013-05-01

    In microcircuit fabrication, the diameter and length of a bond wire have been shown to both affect the current versus fusing time ratio of a bond wire as well as the gap length of the fused wire. This study investigated the impact of current level on the time-to-open and gap length of 1 mil by 60 mil gold bond wires. During the experiments, constant current was provided for a control set of bond wires for 250ms, 410ms and until the wire fused; non-destructively pull-tested wires for 250ms; and notched wires. The key findings were that as the current increases, the gap length increases and 73% of the bond wires will fuse at 1.8A, and 100% of the wires fuse at 1.9A within 60ms. Due to the limited scope of experiments and limited data analyzed, further investigation is encouraged to confirm these observations.

  16. Prevalence of bony septa, antral pathology, and dimensions of the maxillary sinus from a sinus augmentation perspective: A retrospective cone-beam computed tomography study

    Energy Technology Data Exchange (ETDEWEB)

    Tadinada, Aditya; Jalali, Elnaz; Al Salman, Wesam; Jambhekar, Shantanu; Katechia, Bina [University of Connecticut, School of Dental Medicine, Farmington (United States); Almas, Khalid [Div. of Periodontology, University of Dammam, College of Dentistry, Dammam (Saudi Arabia)

    2016-06-15

    Sinus elevation procedures have become a routine and reliable way to gain bone volume in the edentulous maxilla for dental implant placement. Presence of bony septations and pathology in the maxillary sinus often cause complications leading to graft or implant failure or both. The aim of this study was to retrospectively evaluate the prevalence of pathology, direction of the septa, and sinus width measured at 2 mm, 5 mm, and 10 mm from the sinus floor in maxillary sinuses using cone-beam computed tomography (CBCT). Seventy-two sinuses from 36 random preoperative CBCT scans referred for implant therapy were retrospectively evaluated for the number, prevalence, and direction of bony septations and presence of pathology. Width of the sinus was also measured at 2 mm, 5 mm, and 10 mm from the sinus floor to account for the amount of bone available for implant placement. Maxillary sinus septa were found in 59.7%. Presence of a single septum was noted in 20 sinuses (27.7%), followed by two septa in 17 sinuses. The most common direction of the septum was the transverse direction. Retention pseudocyst and mucosal thickening were the most commonly seen abnormality/pathology. Based on the high prevalence of septa and sinus pathology in this sample, a preoperative CBCT scan might be helpful in minimizing complications during sinus augmentation procedures for dental implant therapy.

  17. Prevalence of bony septa, antral pathology, and dimensions of the maxillary sinus from a sinus augmentation perspective: A retrospective cone-beam computed tomography study

    International Nuclear Information System (INIS)

    Tadinada, Aditya; Jalali, Elnaz; Al Salman, Wesam; Jambhekar, Shantanu; Katechia, Bina; Almas, Khalid

    2016-01-01

    Sinus elevation procedures have become a routine and reliable way to gain bone volume in the edentulous maxilla for dental implant placement. Presence of bony septations and pathology in the maxillary sinus often cause complications leading to graft or implant failure or both. The aim of this study was to retrospectively evaluate the prevalence of pathology, direction of the septa, and sinus width measured at 2 mm, 5 mm, and 10 mm from the sinus floor in maxillary sinuses using cone-beam computed tomography (CBCT). Seventy-two sinuses from 36 random preoperative CBCT scans referred for implant therapy were retrospectively evaluated for the number, prevalence, and direction of bony septations and presence of pathology. Width of the sinus was also measured at 2 mm, 5 mm, and 10 mm from the sinus floor to account for the amount of bone available for implant placement. Maxillary sinus septa were found in 59.7%. Presence of a single septum was noted in 20 sinuses (27.7%), followed by two septa in 17 sinuses. The most common direction of the septum was the transverse direction. Retention pseudocyst and mucosal thickening were the most commonly seen abnormality/pathology. Based on the high prevalence of septa and sinus pathology in this sample, a preoperative CBCT scan might be helpful in minimizing complications during sinus augmentation procedures for dental implant therapy

  18. Ultrasonographic assessment of tendon thickness, Doppler activity and bony spurs of the elbow in patients with lateral epicondylitis and healthy subjects: a reliability and agreement study.

    Science.gov (United States)

    Krogh, T P; Fredberg, U; Christensen, R; Stengaard-Pedersen, K; Ellingsen, T

    2013-10-01

    Tennis elbow, also known as lateral epicondylitis (LE), is a common disorder often assessed by ultrasound. The aim of this study was to evaluate the ultrasonographic outcomes and methods used in LE research and clinical practice. This study was designed as an intra- and interobserver reliability and agreement study. Ultrasonographic examination of the common extensor tendon of the elbow was performed. The intraobserver study examined tendon thickness twice in 20 right elbows from 20 healthy individuals at an interval of 7 to 12 days. The interobserver study examined tendon thickness, color Doppler activity, and bony spurs in 18 right elbows in 9 healthy individuals and 9 patients with LE. Two trained rheumatologists performed the interobserver examinations with the same scanner on the same day. The main outcomes were intra- and interclass correlation (ICC) and agreement. In the intraobserver study, the ICC with regard to tendon thickness ranged from 0.76 to 0.81, depending on the measurement techniques used. The agreement ranged from 0.06 to 0.13 mm. In the interobserver study, the tendon thickness ICC ranged from 0.45 to 0.65 and the agreement ranged from -0.17 to 0.13 mm. The ICC for color Doppler activity was 0.93, with agreement in 14/18 (78 %) of the cases. A perfect reliability was demonstrated for bony spurs, with an ICC of 1 and exact agreement in 18/18 (100 %) of the cases. Good to excellent reliability was obtained for all measurements. The ultrasonographic techniques evaluated in this trial can be recommended for use in both research and clinical practice. © Georg Thieme Verlag KG Stuttgart · New York.

  19. Clinical trial and in-vitro study comparing the efficacy of treating bony lesions with allografts versus synthetic or highly-processed xenogeneic bone grafts

    DEFF Research Database (Denmark)

    Kubosch, Eva Johanna; Bernstein, Anke; Wolf, Laura

    2016-01-01

    BACKGROUND: Our study aim was to compare allogeneic cancellous bone (ACB) and synthetic or highly-processed xenogeneic bone substitutes (SBS) in the treatment of skeletal defects in orthopedic surgery. METHODS: 232 patients treated for bony lesions with ACB (n = 116) or SBS (n = 116) within a 10......-year time period were included in this case-control study. Furthermore, both materials were seeded with human osteoblasts (hOB, n = 10) and analyzed by histology, for viability (AlamarBlue®) and protein expression activity (Luminex®). RESULTS: The complication rate was 14.2 %, proportion of defects....... Histological examination revealed similar bone structures, whereas cell remnants were apparent only in the allografts. Both materials were biocompatible in-vitro, and seeded with human osteoblasts. The cells remained vital over the 3-week culture period and produced microscopically typical bone matrix. We...

  20. Post Pelvic Radiotherapy Bony Changes

    Energy Technology Data Exchange (ETDEWEB)

    Huh, Seung Jae [Samsung Medical Center, Seoul (Korea, Republic of)

    2009-03-15

    There has been recent interest in radiation-induced bone injury in clinical conditions, especially for pelvic insufficiency fracture (PIF). A PIF is caused by the effect of normal or physiological stress on bone with demineralization and decreased elastic resistance. Pelvic radiotherapy (RT) can also contribute to the development of a PIF. A PIF has been regarded as a rare complication with the use of megavoltage equipment. However, recent studies have reported the incidence of PIFs as 8.2{approx}20% after pelvic RT in gynecological patients, an incidence that was higher than previously believed. The importance of understanding a PIF lies in the potential for misdiagnosis as a bony metastasis. If patients complain of pelvic pain after whole-pelvis radiation therapy, the presence of a PIF must be considered in the differential diagnosis. The use of multibeam arrangements and conformal RT to reduce the volume and dose of irradiated pelvic bone can be helpful to minimize the risk of fracture. In addition to a PIF, osteonecrosis and avascular necrosis of the femoral head can develop after radiation therapy. Osteoradionecrosis of the pelvic bone is a clinical diagnostic challenge that must be differentiated from an osseous metastasis. A post-radiation bone sarcoma can result as a long-term sequela of pelvic irradiation for uterine cervical cancer.

  1. Bonding brackets to porcelain: in vitro study

    Directory of Open Access Journals (Sweden)

    Sant'Anna Eduardo Franzotti

    2002-01-01

    Full Text Available The aim of this research was to verify, in vitro, the effect of various porcelain surface treatments on the shear strength of orthodontic brackets bonded to porcelain and the mode of fracture after debonding. Eighty-eight samples of metallic supported feldspathic porcelain were randomly divided into four groups according to their surface preparation as follows: the porcelain was maintained intact (GI, roughened with a diamond bur (GII, etched with 10% hydrofluoric acid (GIII, or sandblasted with aluminum oxide (GIV. The specimens were treated with silane (Scothprime and brackets were bonded with Concise. Each sample was subjected to a shear load at a crosshead speed of 1 mm/min and a recording was made at the point of failure. Bond strengths, adequate to withstand the application of orthodontic forces, were achieved in all groups. The Kruskal-Wallis statistical test showed no significant differences in bond strength between the groups (p>0.05. However, many more porcelain fractures occurred on deglazed porcelain. This study indicates that with the appropriate material selection, the silane/composite procedure alone may be adequate for bonding.

  2. Bond Feasibility Study. Project Identification Committee Report.

    Science.gov (United States)

    Wichita Public Schools, KS.

    A committee, appointed by the Board of Education, was requested to make a comprehensive study of the school building needs of Unified School District No. 259. In an attempt to determine the feasibility of a general bond election to upgrade the public schools, the specific charge to the committee was to evaluate the needs for physical plant…

  3. Implant-Supported Telescopic Crown-Retained Overdentures for Oral Rehabilitation of Patients with Severe Bony Defects: A 5-Year Retrospective Study.

    Science.gov (United States)

    Zou, Duohong; Wang, Feng; Wu, Yiqun; Huang, Wei; Zhang, Chenping; Zhang, Zhiyuan

    2015-01-01

    To evaluate the performance of dental implant-supported telescopic crown (TC)-retained overdentures to restore the oral function of patients who have insufficient jawbone volume resulting from tumor resection or trauma. From January 2004 to December 2008, implant-supported TC-retained overdentures were used to restore the oral function of patients with severe bony defects resulting from tumor resection or trauma. Clinical data, including implant success and survival rates, biologic and mechanical complications, prosthodontic maintenance efforts, and patient satisfaction, were analyzed annually after delivery of the final prostheses. Twenty-four patients were treated, and a total of 88 implants were inserted to support TC-retained overdentures. The mean modified plaque index of implants remained low (76.3%) in the study showed the absence of bleeding on probing at follow-up visits. Peri-implant marginal bone loss (MBL) ranged from 0.8 to 1.2 mm. There was no statistically significant difference in the MBL between maxillary and mandibular implants (P = .43). The implant success rate was 100% after 5 years, and the prosthodontic maintenance and complication rate was 0.22 times per year. More than 90% of patients were satisfied with the restoration of their oral function using TCs. Based on our study of 24 patients treated with TC-retained overdentures, it appears that this treatment may be a viable option for patients with insufficient jawbone volume.

  4. Conservative Treatment for Bony Healing in Pediatric Lumbar Spondylolysis.

    Science.gov (United States)

    Sakai, Toshinori; Tezuka, Fumitake; Yamashita, Kazuta; Takata, Yoichiro; Higashino, Kosaku; Nagamachi, Akihiro; Sairyo, Koichi

    2017-06-15

    A retrospective review of prospectively collected data. The aim of this study was to investigate recent outcomes of conservative treatment for bony healing in pediatric patients with lumbar spondylolysis (LS) and to identify the problems that need to be resolved. Several diagnostic and therapeutic techniques for LS have been developed recently, leading to better outcomes for bony healing. Overall, 63 consecutive pediatric patients (53 boys and 10 girls) with LS (average age: 13.8 years; range: 6-17 years) were analyzed. Diagnosis and staging (very early, early, progressive, and terminal) were based on multidetector computed tomography (CT) scans and magnetic resonance imaging (MRI). For all patients except those with terminal-stage pars defect, conservative treatment included rest, avoidance of sports, and the use of a thoraco-lumbo-sacral-type trunk brace. Follow-up MRI was performed monthly. When the signal changes resolved, CT scans were obtained to assess bony healing. Three patients dropped out during the study period. A total of 60 patients were included (50 boys and 10 girls) in this study (follow-up rate: 95.2%), with 86 instances of LS (very early: 36, early: 16, progressive: 15, terminal: 19) in 65 laminae. In the very early stage, the bony healing rate was 100%, and average treatment period was 2.5 months (range: 1-7 months). In the early stage, the bony healing rate was 93.8%, and the average treatment period was 2.6 months (range: 1-6 months). In the progressive stage, the bony healing rate was 80.0%, and the average treatment period was 3.6 months (range: 3-5 months). The average overall recurrence rate was 26.1%. All patients showing recurrence eventually achieved bony healing. High bony healing rates and short treatment periods were observed with conservative treatment in pediatric patients with LS. However, the recurrence rates were relatively high. This issue should be targeted in future studies. 2.

  5. Platelet-rich plasma plus bioactive glass in the treatment of intra-bony defects: a study in dogs

    Directory of Open Access Journals (Sweden)

    Marcelo Diniz Carvalho

    2011-02-01

    Full Text Available OBJECTIVE: This study was designed to evaluate, histomorphometrically, the association of platelet-rich plasma (PRP and bioactive glass (BG in the treatment of periodontal intrabony defects. MATERIAL AND METHODS: Nine mongrel dogs were included in the study. Three-wall intrabony defects were surgically created at the mesial and distal aspect of first mandibular molar and exposed to plaque accumulation for 1 month. The defects were randomly assigned to the groups: control, BG, PRP, PRP+BG. Dogs were sacrificed 90 days after the surgeries. The histometric parameters evaluated were: length of sulcular and junctional epithelium, connective tissue adaptation, new cementum, new bone, defect extension and area of new bone filling the defect. RESULTS: A superior area of new bone was observed in PRP+BG and BG (13.80±2.32 mm² and 15.63±2.64 mm², respectively when compared to the other groups (8.19±1.46 mm² and 8.81±1.47 mm² for control and PRP, respectively. No statistically significant differences were observed in the remaining parameters. CONCLUSIONS: Within the limits of this study, it may be concluded that PRP failed to provide statistically significant improvements in the histometric parameters.

  6. Relationship of bony trabecular characteristics and age to bone mass

    International Nuclear Information System (INIS)

    Choi, Dong Hoon; Song, Young Han; Yoon, Young Nam; Lee, Wan; Lee, Byung Do

    2006-01-01

    Bony strength is dependent on bone mass and bony structure. So this study was designed to investigate the relationship between the bone mass and bony mass and bony trabecular characteristics. Study subjects were 51 females (average age 68.6 years) and 20 males (average age 66.4 years). Bony mineral density (BMD, grams/cm 2 ) of proximal femur was measured by a dual energy X-ray absorptiometry (DEXA). Regions of interest (ROIs) were selected from the digitized radiographs of proximal femur. A customized computer program processed morphologic operations (MO) of ROIs. 44 skeletal variables of MO were calculated from ROIs on the Ward's triangle and greater trochanter of femur. WHO BMD classes were predicted by MO variables of the same ROI. Classification and Regression Tree analysis was used for calculating weighted kappa values, sensitivity and specificity of MO. The discriminating factors of morphologic operation were branch point, branch point [per cm sq]. Age also played important role in distinguishing osteoporotic classes. The sensitivity of MO at Ward's triangle and Greater Trochanter was 91.8%, 65.6%, respectively. The specificity of MO was 100% at Ward's triangle and Greater Trochanter. Bony trabecular characteristics obtained using radiological bone morphometric analysis seem to be related to bone mass

  7. Bony sequestrum: A radiologic review

    Energy Technology Data Exchange (ETDEWEB)

    Jennin, Felicie; Bousson, Valerie; Parlier, Caroline; Jomaah, Nabil; Khanine, Vanessa; Laredo, Jean-Denis [Lariboisiere Hospital, Department of Radiology, Paris (France)

    2011-08-15

    According to a pathological definition, a bony sequestrum is defined as a piece of devitalized bone that has been separated from the surrounding bone during the process of necrosis. However, the radiological definition of a sequestrum is different and refers to an image of calcification visible within a lucent lesion, completely separated from the surrounding bone, without referring to the vascular status and histological nature of the calcified tissue. The term ''button sequestrum'' has been used in calvarial lesions. The prototype conditions that may present with a bony sequestrum are osteomyelitis and skeletal tuberculosis. Other conditions such as radiation necrosis, eosinophilic granuloma, metastatic carcinoma, primary lymphoma of bone, aggressive fibrous tumors may also manifest as osteolytic lesions containing a sequestrum. In addition, some primary bone tumors produce a matrix that may mineralize and sometimes simulate a bone sequestrum. These include osteoid tumors (osteoid osteoma, osteoblastoma), cartilaginous tumors (chondroma and chondroblastoma), lipomatous tumors (lipoma), and benign fibrous tumors (fibromyxoma, myxoma, and desmoplastic fibroma). Therefore, various conditions may present at imaging as a small area of osteolysis containing central calcifications. However, a careful analysis of the sequestrum as well as the associated clinical and radiological findings often enables to point toward a limited number of conditions. (orig.)

  8. Bony ankylosis following thermal and electrical injury

    Energy Technology Data Exchange (ETDEWEB)

    Balen, P.F.; Helms, C.A. [Dept. of Radiology, Duke University Medical Center, Durham, NC (United States)

    2001-07-01

    Objective. Bony ankylosis has been described following trauma, paralysis, psoriasis, Reiter's syndrome, ankylosing spondylitis, juvenile chronic arthritis and rheumatoid arthritis. Reports of bony ankylosis following thermal and electrical injury are limited.Design and patients. Thirteen cases of burn-related joint ankylosis in four patients are presented.Conclusion. Patients with burns from thermal or electrical injury may develop bony ankylosis among other radiographic manifestations. This bony ankylosis may result either from bridging extra-articular heterotopic ossification with preservation of the underlying joint or from intra-articular fusion due to joint destruction. (orig.)

  9. Bony ankylosis of temporomandibular joint

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Byeong Do; Yoon, Young Nam; Um, Ki Doo; Ra, Jong Ill; Lee, Wan [School of Dentistry, Wonkwang University, Iksan (Korea, Republic of)

    2002-06-15

    Ankylosis of joint is defined as limited movement due to infection, trauma, or surgical procedure. A 59-year-old female with a chief complaint of limited movements during mouth opening had a positive history of trauma to her right TMJ area about 5 years ago. From that time, progressive mouth opening limitation and intermittent pain have occurred. At the time of admission the patient showed mandibular deviation to the right side during mouth opening, with a maximum opening limited to 5 mm. On plain radiographs, right condylar enlargement and joint space reduction by newly formed bony tissues were observed. CT scans showed right condylar enlargement, cortical sclerosis, and thickening of the condyle, articular fossa and articular eminence.

  10. Bony Regeneration of the Sella after Transsphenoidal Pituitary Surgery.

    Science.gov (United States)

    Yahia-Cherif, Mehdi; Delpierre, Isabelle; Hassid, Sergio; De Witte, Olivier

    2016-04-01

    The purpose of this study is to demonstrate the possible bony regrowth of the sella after transsphenoidal surgery without any intraoperative sellar reconstruction. Radiologic findings of the sella were reviewed in patients with pituitary tumors treated by transsphenoidal surgery. In 17 patients who had postoperative cranial computed tomography scans, bony regeneration of the sellar floor was evaluated by comparing immediate and late postoperative scans. The bony opening reduction was measured in transverse and sagittal planes. The median bony opening diameter in the transverse plane was 8.8 mm (interquartile range [IQR] 5.7-11.4) on the first scan and 4.2 mm (IQR 0.8-6.8) on the second scan. In the sagittal plane, it was 4.8 mm (IQR 1.8-6.8) on the first scan and 2.9 mm (IQR 1.6-3.9) on the second scan. These changes occurred in a median time of 36 months (IQR 22-42). There was a statistically significant decrease of the bony opening diameters in both the transverse and sagittal planes (P transsphenoidal pituitary surgery. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Energetics of hydrogen bonding in proteins: a model compound study.

    OpenAIRE

    Habermann, S. M.; Murphy, K. P.

    1996-01-01

    Differences in the energetics of amide-amide and amide-hydroxyl hydrogen bonds in proteins have been explored from the effect of hydroxyl groups on the structure and dissolution energetics of a series of crystalline cyclic dipeptides. The calorimetrically determined energetics are interpreted in light of the crystal structures of the studied compounds. Our results indicate that the amide-amide and amide-hydroxyl hydrogen bonds both provide considerable enthalpic stability, but that the amide-...

  12. Evaluation of a New Nano-filled Bonding Agent for Bonding Orthodontic Brackets as Compared to a Conventional Bonding Agent: An in vitro Study

    OpenAIRE

    Sandesh S Pai; Amrita Nagendra; Vinaya S Pai; K Neelima; A E Vishwanath; P Vinod; Sharanya Ajit Kumar; Roopa R Tubaki

    2012-01-01

    Introduction: Recent advances in the field of material sciences have opened up a new horizon of options for bonding agents that can be used efficiently in orthodontics. The purpose of this study was evaluate and compare the shear bond strength (SBS) of the traditionally used Transbond XT and a newer nano-filled material Prime and Bond NT. Materials and methods: Sixty freshly extracted maxillary first premolars were stored in 0.1% (weight/volume) thymol. These were divided into two Groups. ...

  13. Algodystrophy in children and young adults with isotopic bony hypofixation. A propos of 5 observations

    International Nuclear Information System (INIS)

    Doury, P.; Pattin, S.; Eulry, F.; Granier, R.; Gaillard, F.

    1986-01-01

    The authors report 5 observations of young adults 3 teen-agers and 2 children suffering from algodystrophy, and in whom isotopic exploration of the skeleton disclosed a clear bony hypofixation during the entire evolution. These observations confirm their 1981 work concerning a young adult suffering from algodystrophy with isotopic bony hypofixation. Recent Canadian and American studies emphasize also the frequency of isotopic hypofixation in children algodystrophy. It seems, therefore, that isotopic bony hypofixation (linked perhaps to a decreased blood flow), is rather specific of algodystrophy in young subjects [fr

  14. Biology of Bony Fish Macrophages

    OpenAIRE

    Hodgkinson, Jordan W.; Grayfer, Leon; Belosevic, Miodrag

    2015-01-01

    Macrophages are found across all vertebrate species, reside in virtually all animal tissues, and play critical roles in host protection and homeostasis. Various mechanisms determine and regulate the highly plastic functional phenotypes of macrophages, including antimicrobial host defenses (pro-inflammatory, M1-type), and resolution and repair functions (anti-inflammatory/regulatory, M2-type). The study of inflammatory macrophages in immune defense of teleosts has garnered much attention, and ...

  15. Canine hip dysplasia: significance of early bony spurring

    International Nuclear Information System (INIS)

    Morgan, J.P.

    1987-01-01

    It is the purpose of this study to call attention to new bone production that often occurs early in the sequence of pathological changes associated with canine hip dysplasia. New bone production extending to bony remodeling, as well as femoral head subluxation, both occur in the sequence of pathologic changes associated with canine hip dysplasia. Subluxation is considered primary, while osteoarthrosis is a secondary feature, and both are used in the diagnosis of canine hip dysplasia. This report concerns the significance of the presence of a solitary bony osteophyte, or spur, that is frequently evident on the caudal aspect of the femoral neck as viewed on the conventional ventrodorsal projection. This report utilizes findings from pelvic radiographs of 605 dogs (five breeds). There was a greater frequency (54%)of this bony change in cases diagnosed radiographically as dysplastic than in cases diagnosed as normal(15%).Thus, it is suggested that this minimal radiographic change can be used as an indicator of early canine hip dysplasia, especially in the absence of subluxation of the femoral head

  16. Biology of Bony Fish Macrophages

    Directory of Open Access Journals (Sweden)

    Jordan W. Hodgkinson

    2015-11-01

    Full Text Available Macrophages are found across all vertebrate species, reside in virtually all animal tissues, and play critical roles in host protection and homeostasis. Various mechanisms determine and regulate the highly plastic functional phenotypes of macrophages, including antimicrobial host defenses (pro-inflammatory, M1-type, and resolution and repair functions (anti-inflammatory/regulatory, M2-type. The study of inflammatory macrophages in immune defense of teleosts has garnered much attention, and antimicrobial mechanisms of these cells have been extensively studied in various fish models. Intriguingly, both similarities and differences have been documented for the regulation of lower vertebrate macrophage antimicrobial defenses, as compared to what has been described in mammals. Advances in our understanding of the teleost macrophage M2 phenotypes likewise suggest functional conservation through similar and distinct regulatory strategies, compared to their mammalian counterparts. In this review, we discuss the current understanding of the molecular mechanisms governing teleost macrophage functional heterogeneity, including monopoetic development, classical macrophage inflammatory and antimicrobial responses as well as alternative macrophage polarization towards tissues repair and resolution of inflammation.

  17. Biology of Bony Fish Macrophages.

    Science.gov (United States)

    Hodgkinson, Jordan W; Grayfer, Leon; Belosevic, Miodrag

    2015-11-30

    Macrophages are found across all vertebrate species, reside in virtually all animal tissues, and play critical roles in host protection and homeostasis. Various mechanisms determine and regulate the highly plastic functional phenotypes of macrophages, including antimicrobial host defenses (pro-inflammatory, M1-type), and resolution and repair functions (anti-inflammatory/regulatory, M2-type). The study of inflammatory macrophages in immune defense of teleosts has garnered much attention, and antimicrobial mechanisms of these cells have been extensively studied in various fish models. Intriguingly, both similarities and differences have been documented for the regulation of lower vertebrate macrophage antimicrobial defenses, as compared to what has been described in mammals. Advances in our understanding of the teleost macrophage M2 phenotypes likewise suggest functional conservation through similar and distinct regulatory strategies, compared to their mammalian counterparts. In this review, we discuss the current understanding of the molecular mechanisms governing teleost macrophage functional heterogeneity, including monopoetic development, classical macrophage inflammatory and antimicrobial responses as well as alternative macrophage polarization towards tissues repair and resolution of inflammation.

  18. Cryosolution infrared study of hydrogen bonded halothane acetylene complex

    Science.gov (United States)

    Melikova, S. M.; Rutkowski, K. S.; Rospenk, M.

    2018-05-01

    The interactions between halothane (2-bromo-2-chloro-1,1,1-trifluoroethane) and acetylene (C2H2) are studied by FTIR spectroscopy. Results obtained in liquid cryosolutions in Kr suggest weak complex formation stabilized by H - bond. The complexation enthalpy (∼11 kJ/mol) is evaluated in a series of temperature measurements (T ∼ 120-160 K) of integrated intensity of selected bands performed in liquefied Kr. The quantum chemical MP2/6-311++G(2d,2p) calculations predict four different structures of the complex. The most stable and populated (94% at T∼120 K) structure corresponds to the H - bond between H atom of halothane and pi-electron of triple bond between C atoms of acetylene. Wave numbers of vibrational bands of the most stable structure are calculated in anharmonic approximation implemented in Gaussian program.

  19. thermodynamic stability of hydrogen-bonded nanostructures: a calorimetric study

    NARCIS (Netherlands)

    ten Cate, M.G.J.; Huskens, Jurriaan; Crego Calama, Mercedes; Reinhoudt, David

    2004-01-01

    The self-assembly of hydrogen-bonded aggregates (rosettes) in solvent mixtures of different polarity has been studied by calorimetry. The C50 parameter, the concentration when 50 % of the components are incorporated in the assembly, is used to compare assemblies with different stoichiometry. C50 for

  20. Arthroscopic Anterior Shoulder Stabilization With Incorporation of a Comminuted Bony Bankart Lesion

    OpenAIRE

    Lansdown, Drew; Bernardoni, Eamon D.; Cotter, Eric J.; Romeo, Anthony A.; Verma, Nikhil N.

    2017-01-01

    Bony Bankart lesions are a common finding in patients with anterior glenohumeral dislocation. Although there are no defined guidelines, small bony Bankart fractures are typically treated arthroscopically with suture anchors. The 2 main techniques used are double- and single-row suture anchor stabilization, with debate over superiority. Biomechanical studies have shown improved reduction and stabilization with the double-row over the single-row suture anchor technique; however, this has not be...

  1. Comparative in vitro study of the shear bond strength of brackets bonded with restorative and orthodontic resins

    Directory of Open Access Journals (Sweden)

    Hassan Isber

    2011-02-01

    Full Text Available The aim of this study was to evaluate the shear bond strength of brackets bonded with different restorative systems and compare it with that afforded by an established orthodontic bonding system. Seventy human bicuspids were used, divided into five different groups with 14 teeth each. Whereas a specific orthodontic bonding resin (TransbondTM XT was used in the control group, the restorative systems Charisma, Tetric Ceram, TPH Spectrum and Z100 were used in the other four groups. Seven days after bonding the brackets to the samples, shear forces were applied under pressure in a universal testing machine. The data collected was evaluated using the ANOVA test and, when a difference was identified, the Tukey test was applied. A 5% level of significance was adopted. The mean results of the shear bond strength tests were as follows: Group 1 (Charisma, 14.98 MPa; Group 2 (Tetric Ceram, 15.16 MPa; Group 3 (TPH, 17.70 MPa; Group 4 (Z100, 13.91 MPa; and Group 5 or control group (TransbondTM XT, 17.15 MPa. No statistically significant difference was found among the groups. It was concluded that all tested resins have sufficient bond strength to be recommended for bonding orthodontic brackets.

  2. Neutron Crystallography for the Study of Hydrogen Bonds in Macromolecules

    Directory of Open Access Journals (Sweden)

    Esko Oksanen

    2017-04-01

    Full Text Available Abstract: The hydrogen bond (H bond is one of the most important interactions that form the foundation of secondary and tertiary protein structure. Beyond holding protein structures together, H bonds are also intimately involved in solvent coordination, ligand binding, and enzyme catalysis. The H bond by definition involves the light atom, H, and it is very difficult to study directly, especially with X-ray crystallographic techniques, due to the poor scattering power of H atoms. Neutron protein crystallography provides a powerful, complementary tool that can give unambiguous information to structural biologists on solvent organization and coordination, the electrostatics of ligand binding, the protonation states of amino acid side chains and catalytic water species. The method is complementary to X-ray crystallography and the dynamic data obtainable with NMR spectroscopy. Also, as it gives explicit H atom positions, it can be very valuable to computational chemistry where exact knowledge of protonation and solvent orientation can make a large difference in modeling. This article gives general information about neutron crystallography and shows specific examples of how the method has contributed to structural biology, structure-based drug design; and the understanding of fundamental questions of reaction mechanisms.

  3. TDDFT study on intramolecular hydrogen bond of photoexcited methyl salicylate.

    Science.gov (United States)

    Qu, Peng; Tian, Dongxu

    2014-01-01

    The equilibrium geometries, IR-spectra and transition mechanism of intramolecular hydrogen-bonded methyl salicylate in excited state were studied using DFT and TDDFT with 6-31++G (d, p) basis set. The length of hydrogen bond OH⋯OC is decreased from 1.73 Å in the ground state to 1.41 and 1.69 Å in the excited S1 and S3 states. The increase of bond length for HO and CO group also indicates that in excited state the hydrogen bond OH⋯OC is strengthened. IR spectra show HO and CO stretching bands are strongly redshifted by 1387 and 67 cm(-1) in the excited S1 and S3 states comparing to the ground state. The excitation energy and the absorption spectrum show the S3 state is the main excited state of the low-lying excited states. By analyzing the frontier molecular orbitals, the transition from the ground state to the excited S1 and S3 states was predicted to be the π→π∗ mode. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Enamel Wetness Effects on Microshear Bond Strength of Different Bonding Agents (Adhesive Systems): An in vitro Comparative Evaluation Study.

    Science.gov (United States)

    Kulkarni, Girish; Mishra, Vinay K

    2016-05-01

    The purpose of this study was to compare the effect of enamel wetness on microshear bond strength using different adhesive systems. To evaluate microshear bond strength of three bonding agents on dry enamel; to evaluate microshear bond strength of three bonding agents on wet enamel; and to compare microshear bond strength of three different bonding agents on dry and wet enamel. Sixty extracted noncarious human premolars were selected for this study. Flat enamel surfaces of approximately 3 mm were obtained by grinding the buccal surfaces of premolars with water-cooled diamond disks. This study evaluated one etch-and-rinse adhesive system (Single Bond 2) and two self-etching adhesive systems (Clearfil SE Bond and Xeno-V). The specimens were divided into two groups (n = 30). Group I (dry) was air-dried for 30 seconds and in group II (wet) surfaces were blotted with absorbent paper to remove excess water. These groups were further divided into six subgroups (n = 10) according to the adhesives used. The resin composite, Filtek Z 250, was bonded to flat enamel surfaces that had been treated with one of the adhesives, following the manufacturer's instructions. After being stored in water at 37°C for 24 hours, bonded specimens were stressed in universal testing machine (Fig. 3) at a crosshead speed of 1 mm/min. The data were evaluated with one-way and two-way analysis of variance (ANOVA), t-test, and Tukey's Multiple Post hoc tests (a = 0.05). The two-way ANOVA and Tukey's Multiple Post hoc tests showed significant differences among adhesive systems, but wetness did not influence microshear bond strength (p = 0.1762). The one-way ANOVA and t-test showed that the all-in-one adhesive (Xeno-V) was the only material influenced by the presence of water on the enamel surface. Xeno-V showed significantly higher microshear bond strength when the enamel was kept wet. Single Bond 2 adhesive showed significantly higher microshear bond strength as compared with Xeno-V adhesive but no

  5. Experimental and Theoretical Studies in Hydrogen-Bonding Organocatalysis

    Directory of Open Access Journals (Sweden)

    Matej Žabka

    2015-08-01

    Full Text Available Chiral thioureas and squaramides are among the most prominent hydrogen-bond bifunctional organocatalysts now extensively used for various transformations, including aldol, Michael, Mannich and Diels-Alder reactions. More importantly, the experimental and computational study of the mode of activation has begun to attract considerable attention. Various experimental, spectroscopic and calculation methods are now frequently used, often as an integrated approach, to establish the reaction mechanism, the mode of activation or explain the stereochemical outcome of the reaction. This article comprises several case studies, sorted according to the method used in their study. The aim of this review is to give the investigators an overview of the methods currently utilized for mechanistic investigations in hydrogen-bonding organocatalysis.

  6. Comparison of shear bond strength of orthodontic brackets bonded using two different hydrophilic primers: An in vitro study

    Directory of Open Access Journals (Sweden)

    M Kumaraswamy Anand

    2014-01-01

    Full Text Available Context: Salivary control and maintenance of a dry operating field is a prime requisite of orthodontic bonding. Moisture insensitive primer (MIP with a clinical significant bond strength values have a better edge over the conventional hydrophobic bonding systems. Aim: The aim of this study is to investigate the effectiveness of two hydrophilic primers with respect to conventional hydrophobic primer by comparing their shear bond strength (SBS and adhesive-failure locations after contamination with saliva and saliva substitute. Materials and Methods: A total of 150 extracted human premolars were randomly divided into five group s ; Group A (Transbond MIP/saliva substitute, Group B (Opal Primo/saliva substitute, Group C (Transbond MIP/natural saliva, Group D (Opal Primo/natural saliva, control group - Group E (Transbond XT/dry, adhesive-Transbond XT used for all five groups and bonded using stainless steel brackets. Shear forces were applied to the samples with a universal testing machine. SBSs was measured in megapascals. The mode of bond failure was determined using the adhesive remnant index (ARI. Results: The mean SBS produced by Transbond MIP was higher than Opal Primo, which was statistically significant according to one-way analysis of variance. Both the tested groups showed lesser bond strength values than Transbond XT (the control. ARI scores revealed that there was no statistically significant difference in the site of bond failure between study groups. ARI scores were found to be lower for study groups suggesting adhesive failure, compared to higher ARI scores for the control group suggesting cohesive failure. Conclusion: Transbond XT adhesive with Transbond MIP or Opal Primo have clinically acceptable bond strength in wet fields. Opal Primo is a viable option to use as a hydrophilic primer clinically.

  7. New generation of color bonding: A comparative in vitro study

    Directory of Open Access Journals (Sweden)

    Rajkumar Maurya

    2011-01-01

    Statistical Analysis: Comparison of the mean rank among the groups was done by Kruskal-Wallis one-way analysis of variance (ANOVA. To determine the mean difference among groups, the Mann-Whitney test with Bon Ferroni adjustment was applied. Observations: It was observed that light-cure conventional composite resin with the conventional etchant group had the highest and glass ionomer resin adhesive had the lowest shear bond strength. There was no statistically significant difference between conventional composite used with conventional etchant and color-changing composite resin used with conventional etchant or with self-etch primer. Conclusion: Considering the advantages of a color-changing composite and self-etch primer especially in patients having high DMFT scores or physically and mentally compromised patients unable to maintain their hygiene properly, it was concluded in the present study that it would be the most suitable material for direct bonding.

  8. Impact of Bony Stress Injuries on Professional Basketball Performance

    Science.gov (United States)

    Khan, Moin; Madden, Kim; Rogowski, Joseph P.; Stotts, Jeff; Burrus, Matthew Tyrrell; Samani, Marisa; Sikka, Robby Singh; Bedi, Asheesh

    2017-01-01

    Objectives: Players in the National Basketball Association (NBA) subject their lower extremities to significant repetitive loading during the season as well as during off-season training. Little is known about the incidence and impact of lower extremity bony stress injuries in these athletes. Methods: Using the player injury database maintained by the NBA Players’ Association, all bony stress injuries from 1992 to May 2016 were identified. Those not involving the lower extremity were excluded from the study. Stress fractures and stress reactions were grouped together. Number of games missed due to the injury as well as player statistics including points per game (ppg), assists per game (apg), steals per game (spg), and blocks per game (bpg) were collected from two years prior to the injury to two years after the injury. Results: 76 lower extremity bony stress injuries were identified involving 75 different NBA players with an average player age of 25.4 ± 4.1 years. 55.3% (42/76) involved the foot, 21.1% (16/76) involved the ankle or fibula, 17.1% (13/76) involved the tibia, and 6.6% (5/76) involved either the knee or patella. The majority of injuries occurred in season 82.9% (63/76) with half of the injuries occurring within the first 6 weeks of the season. 38.2% (29/76) of these injuries were managed surgically. An average of 25.1 ± 21.3 games were missed. 19.7% (15/76) of patients who sustained a stress fracture also had a subsequent injury. 29.2% (21/76) of players were not able to return to professional basketball after the season in which the injury was sustained; however, those who were able to return to the same level of play did not see a significant change in performance as measured by ppg, apg, spg, or bpg when comparing the season prior to the injury and either one or two years after the injury. Stress injuries to the foot carried the worst prognosis, 57.1% (12/21) of those unable to return to professional basketball sustained such an injury

  9. Bond Ratings dan Antesedennya: Studi Empiris di Bursa Efek Indonesia

    Directory of Open Access Journals (Sweden)

    Wendy Wendy

    2017-01-01

    Full Text Available This paper provides the empirical evidence of corporate growth, maturity, and operating cash flows on the bond ratings. It was conducted on 34 bonds issued by the 16 non-financial companies on the Indonesia Stock Exchange (IDX which also issued bonds, registered in the Indonesia Bond Market Directory, and rated by PEFINDO during 2012 - 2014. The hypotheses were tested using the logistic regression analysis. The result shows that corporate growth has significant effect on the bond ratings, while maturity and operating cash flow have no significant effect. Another finding shows that the firm size can also affect the bond ratings.

  10. A study of roll-bonding MS90 alloy to steel utilizing chromized interlayer

    International Nuclear Information System (INIS)

    Tolaminejad, B.; Arabi, H.

    2008-01-01

    This article describes a study of the application of a roll bonding technique to MS90(CuZn10) alloy strips and steel sheets using a chromized interlayer. It was found that the overall bond between these two metals resulted from two different types of bonds: a block bond, linking the MS90 alloy strips and chromium topcoat layer, and a blank bond, linking the MS90 alloy strips and bare steel surface in the area where the chromium coating has been fragmented. This study investigated the effects of plating time on the thickness of the coating layers and of the area fraction of the blank bond on the bond strength. The overall bond strength depends mainly on the strength and the area fraction of the blank bond. A linear relationship model exists between the overall bond strength and the area fraction of the blank bond. The bond strength of the blank bond was eight times greater than that of the block bond. The area fraction of the blank bond increased with increasing the coating thickness up to 55 μm, but thereafter decreased due to the rotation of the chromium blocks

  11. A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems

    Directory of Open Access Journals (Sweden)

    Christer B. Aakeröy

    2015-09-01

    Full Text Available As halogen bonds gain prevalence in supramolecular synthesis and materials chemistry, it has become necessary to examine more closely how such interactions compete with or complement hydrogen bonds whenever both are present within the same system. As hydrogen and halogen bonds have several fundamental features in common, it is often difficult to predict which will be the primary interaction in a supramolecular system, especially as they have comparable strength and geometric requirements. To address this challenge, a series of molecules containing both hydrogen- and halogen-bond donors were co-crystallized with various monotopic, ditopic symmetric and ditopic asymmetric acceptor molecules. The outcome of each reaction was examined using IR spectroscopy and, whenever possible, single-crystal X-ray diffraction. 24 crystal structures were obtained and subsequently analyzed, and the synthon preferences of the competing hydrogen- and halogen-bond donors were rationalized against a background of calculated molecular electrostatic potential values. It has been shown that readily accessible electrostatic potentials can offer useful practical guidelines for predicting the most likely primary synthons in these co-crystals as long as the potential differences are weighted appropriately.

  12. Oxidation study on as-bonded intermetallic of copper wire–aluminum bond pad metallization for electronic microchip

    International Nuclear Information System (INIS)

    Joseph Sahaya Anand, T.; Yau, Chua Kok; Huat, Lim Boon

    2012-01-01

    In this work, influence of Copper free air ball (FAB) oxidation towards Intermetallic Compound (IMC) at Copper wire–Aluminum bond pad metallization (Cu/Al) is studied. Samples are synthesized with different Copper FAB oxidation condition by turning Forming Gas supply ON and OFF. Studies are performed using Optical Microscope (OM), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and line-scan Energy Dispersive X-ray (EDX). SEM result shows there is a cross-sectional position offset from center in sample synthesized with Forming Gas OFF. This is due to difficulty of determining the position of cross-section in manual grinding/polishing process and high occurrence rate of golf-clubbed shape of oxidized Copper ball bond. TEM inspection reveals that the Copper ball bond on sample synthesized with Forming Gas OFF is having intermediate oxidation. Besides, the presence of IMC at the bonding interface of Cu/Al for both samples is seen. TEM study shows voids form at the bonding interface of Forming Gas ON sample belongs to unbonded area; while that in Forming Gas OFF sample is due to volume shrinkage of IMC growth. Line-scan EDX shows the phases present in the interfaces of as-bonded samples are Al 4 Cu 9 (∼3 nm) for sample with Forming Gas ON and mixed CuAl and CuAl 2 (∼15 nm) for sample with Forming Gas OFF. Thicker IMC in sample with Forming Gas OFF is due to cross-section is positioned at high stress area that is close to edge of ball bond. Mechanical ball shear test shows that shear strength of sample with Forming Gas OFF is about 19% lower than that of sample with Forming Gas ON. Interface temperature is estimated at 437 °C for as-bonded sample with Forming Gas ON by using empirical parabolic law of volume diffusion. -- Highlights: ► 3 nm Al 4 Cu 9 are found in sample prepared with Forming Gas ON. ► 15 nm mixed CuAl + CuAl 2 are found in sample prepared with Forming Gas OFF. ► Voids are present at the bonding interfaces of both

  13. Oxidation study on as-bonded intermetallic of copper wire-aluminum bond pad metallization for electronic microchip

    Energy Technology Data Exchange (ETDEWEB)

    Joseph Sahaya Anand, T., E-mail: anand@utem.edu.my [Faculty of Manufacturing Engineering, University Technical Malaysia Melaka, Hang Tuah Jaya, 76100 Durian Tunggal, Melaka (Malaysia); Yau, Chua Kok [Faculty of Manufacturing Engineering, University Technical Malaysia Melaka, Hang Tuah Jaya, 76100 Durian Tunggal, Melaka (Malaysia); University of Technical Malaysia Supported by Infineon Technology - Malaysia - Sdn. Bhd., Melaka (Malaysia); Huat, Lim Boon [Department of Innovation, Infineon Technology - Malaysia - Sdn. Bhd., FTZ Batu Berendam, 75350 Melaka (Malaysia)

    2012-10-15

    In this work, influence of Copper free air ball (FAB) oxidation towards Intermetallic Compound (IMC) at Copper wire-Aluminum bond pad metallization (Cu/Al) is studied. Samples are synthesized with different Copper FAB oxidation condition by turning Forming Gas supply ON and OFF. Studies are performed using Optical Microscope (OM), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and line-scan Energy Dispersive X-ray (EDX). SEM result shows there is a cross-sectional position offset from center in sample synthesized with Forming Gas OFF. This is due to difficulty of determining the position of cross-section in manual grinding/polishing process and high occurrence rate of golf-clubbed shape of oxidized Copper ball bond. TEM inspection reveals that the Copper ball bond on sample synthesized with Forming Gas OFF is having intermediate oxidation. Besides, the presence of IMC at the bonding interface of Cu/Al for both samples is seen. TEM study shows voids form at the bonding interface of Forming Gas ON sample belongs to unbonded area; while that in Forming Gas OFF sample is due to volume shrinkage of IMC growth. Line-scan EDX shows the phases present in the interfaces of as-bonded samples are Al{sub 4}Cu{sub 9} ({approx}3 nm) for sample with Forming Gas ON and mixed CuAl and CuAl{sub 2} ({approx}15 nm) for sample with Forming Gas OFF. Thicker IMC in sample with Forming Gas OFF is due to cross-section is positioned at high stress area that is close to edge of ball bond. Mechanical ball shear test shows that shear strength of sample with Forming Gas OFF is about 19% lower than that of sample with Forming Gas ON. Interface temperature is estimated at 437 Degree-Sign C for as-bonded sample with Forming Gas ON by using empirical parabolic law of volume diffusion. -- Highlights: Black-Right-Pointing-Pointer 3 nm Al{sub 4}Cu{sub 9} are found in sample prepared with Forming Gas ON. Black-Right-Pointing-Pointer 15 nm mixed CuAl + CuAl{sub 2} are found

  14. Crack propagation studies and bond coat properties in thermal

    Indian Academy of Sciences (India)

    High threshold load at the interface between the ceramic layer and the bond coat was required to propagate the crack further into the bond coat. Once the threshold load was surpassed the crack propagated into the brittle bond coat without an appreciable increase in the load. At temperatures of 800°C the crack propagated ...

  15. Conceptual design study of Cu bonded steam generator

    International Nuclear Information System (INIS)

    Chikazawa, Yoshitaka; Konomura, Mamoru

    2004-05-01

    In phase II of feasibility study of commercialized fast reactor cycle systems of JNC, we make a concept of a sodium cooled reactor without secondary sodium circuits. And a sodium cooled reactor with Cu bonded steam generators is one of promising concept. As the result of FY 2001 study, the construction cost of reactor cooling system with rectangular tube Cu bonded steam generators is 0.71 to 1.23 times as much as that of an ordinary sodium cooled reactor with secondary sodium circuits. In the FY 2003 study, plastic and creep analysis to evaluate life distortion are carried out and inelastic strains and creep fatigue damage are checked for full code compliance. The NNC's crack growth experiments show that there are few possibility to penetrate a crack from the steam tube side to the sodium tube side at the operating temperature. But penetration is observed in a four point bend test at the room temperature, because the notch opens widely in the bend test. In the FY 2004 study, a gas pressurized crack growth experiment is planed to confirm that there is no crack penetration in the condition of operating steam generators. (author)

  16. Infrared matrix isolation study of hydrogen bonds involving C-H bonds: Substituent effects

    International Nuclear Information System (INIS)

    Jeng, M.L.H.; Ault, B.S.

    1989-01-01

    The matrix isolation technique combined with infrared spectroscopy has been employed to isolate and characterize hydrogen-bonded complexes between a series of substituted alkynes and several oxygen and nitrogen bases. Distinct evidence for hydrogen bond formation was observed in each case, with a characteristic red shift of the hydrogen stretching motion ν r . Shifts between 100 and 300 cm -1 were observed, the largest being for the complex of CF 3 CCH with (CH 3 ) 3 N. The perturbed carbon-carbon triple bond stretching vibration was observed for most complexes, as was the alkynic hydrogen bending motion. Attempts were made to correlate the magnitude of the red shift of ν s with substituent constants for the different substituted alkynes; a roughly linear correlation was found with the Hammett σ parameter. Lack of correlation Δν s with either σ 1 or σ R alone suggests that both inductive and resonance contributions to the strength of the hydrogen-bonding interaction are important

  17. Performance Evaluation and Durability Studies of Adhesive Bonds

    Science.gov (United States)

    Ranade, Shantanu Rajendra

    In this thesis, four test approaches were developed to characterize the adhesion performance and durability of adhesive bonds for specific applications in areas spanning from structural adhesive joints to popular confectionaries such as chewing gum. In the first chapter, a double cantilever beam (DCB) specimen geometry is proposed for combinatorial fracture studies of structural adhesive bonds. This specimen geometry enabled the characterization of fracture energy vs. bondline thickness trends through fewer tests than those required during a conventional "one at a time" characterization approach, potentially offering a significant reduction in characterization times. The second chapter investigates the adhesive fracture resistance and crack path selection in adhesive joints containing patterns of discreet localized weak interfaces created using physical vapor deposition of copper. In a DCB specimen tested under mode-I conditions, fracture energy within the patterned regions scaled according to a simple rule of mixture, while reverse R-curve and R-curve type trends were observed in the regions surrounding weak interface patterns. Under mixed mode conditions such that bonding surface with patterns is subjected to axial tension, fracture energy did not show R-curve type trends while it was observed that a crack could be made to avoid exceptionally weak interfaces when loaded such that bonding surface with defects is subjected to axial compression. In the third chapter, an adaptation of the probe tack test is proposed to characterize the adhesion behavior of gum cuds. This test method allowed the introduction of substrates with well-defined surface energies and topologies to study their effects on gum cud adhesion. This approach and reported insights could potentially be useful in developing chewing gum formulations that facilitate easy removal of improperly discarded gum cuds from adhering surfaces. In the fourth chapter we highlight a procedure to obtain insights

  18. Incidence of dehiscence of the bony roof of the superior semicircular canal by CT imaging

    International Nuclear Information System (INIS)

    Watanabe, Akira

    2003-01-01

    Dehiscence of the bony roof of the superior semicircular canal (SSCC) is rare, but it has been recognized by otologists since Minor et al first described superior canal dehiscence syndrome (SCDS). In this study, dehiscence of the bony roof of SSCC was incidentally detected in three patients with benign paroxysmal positional vertigo out of 49 serial patients with vertigo and dizziness by multi-slice computed tomography. Although detection of dehiscence of the SSCC by ultra-high-resolution CT imaging of the temporal bones has been required for a diagnosis of SCDS, this study showed that dehiscence of the bony roof of the SSCC can be an incidental finding and therefore is not specific for SCDS. (author)

  19. Comparative TEM study of bonded silicon/silicon interfaces fabricated by hydrophilic, hydrophobic and UHV wafer bonding

    International Nuclear Information System (INIS)

    Reznicek, A.; Scholz, R.; Senz, S.; Goesele, U.

    2003-01-01

    Wafers of Czochralski-grown silicon were bonded hydrophilically, hydrophobically and in ultrahigh vacuum (UHV) at room temperature. Wafers bonded hydrophilically adhere together by hydrogen bonds, those bonded hydrophobically by van der Waals forces and UHV-bonded ones by covalent bonds. Annealing the pre-bonded hydrophilic and hydrophobic wafer pairs in argon for 2 h at different temperatures increases the initially low bonding energy. UHV-bonded wafer pairs were also annealed to compare the results. Transmission electron microscopy (TEM) investigations show nano-voids at the interface. The void density depends on the initial bonding strength. During annealing the shape, coverage and density of the voids change significantly

  20. Microtensile dentin bond strength of fifth with five seventh-generation dentin bonding agents after thermocycling: An in vitro study

    Directory of Open Access Journals (Sweden)

    Bruhvi Poptani

    2012-01-01

    Full Text Available Objectives: The objective of this in vitro study was to compare the microtensile dentin bond strength (μTBS of five seventh-generation dentin bonding agents (DBA with fifth-generation DBA before and after thermocycling. Materials and Methods: Ten extracted teeth were assigned to fifth generation control group (optibond solo and each of the five experimental groups namely, Group I (G-Bond ,Group II (S 3 Clearfil, Group III (One Coat 7.0, Group IV (Xeno V, and Group V (Optibond all in one. The crown portions of the teeth were horizontally sectioned below the central groove to expose the dentin. The adhesive resins from all groups were bonded to the teeth with their respective composites. Specimens of sizes 1 × 1 × 6 mm 3 were obtained. Fifty specimens that bonded to dentin from each group were selected. Twenty-five of the specimens were tested for debonding without thermocycling and the remaining were subjected to thermocycling followed by μTBS testing. The data were analyzed with one-way ANOVA and Dunnett′s-test for comparison with the reference group(Vth Generation. Results: There was no significant difference (P > 0.05 between the fifth- and seventh-generation adhesives before and after thermocycling. The results of our study showed significantly higher value (P < 0.05 of μTBS of seventh-generation Group II (Clearfil S 3 compared to the fifth-generation before and after thermocycling. Conclusion: The study demonstrated that the Clearfil S 3 bond had the highest μTBS values. In addition, of the five tested seventh-generation adhesive resins were comparable to the fifth-generation DBA.

  1. Bony orbital distances among the Filipino population.

    Science.gov (United States)

    Barone, Constance M; Jimenez, David F; Laskey, Antoinette; Alcantara, Briccio G; Braddock, Stephen R

    2002-03-01

    Six hundred and seventy seven radiographs were selected from the logs of films taken in a major hospital in Metro Manila, Philippines over the course of the previous year. Two hundred and eighty-eight female and 389 male, healthy Filipinos between the ages of birth and twenty years were selected based on the availability of a modified Waters' projection and lateral skull film taken at the same time. Measurements for the lateral orbital wall were made at the site of the suture on the medial surface of the zygomatic bone. The medial orbital wall measurement was the distance between the dacrya using a correction factor formula of CF = D-d/D where D is the target film distance and d is the object film distance (1). The actual bony measurements were calculated. The data was gathered and plotted according to sex and in age in years. Graphs were generated using SAS over a graph software. Lines were smooth using cubic spline technique developed by Reinsch with the smoothest value of 75 (2). The mean plus two, four, and six standard deviations were included in each of the curves.

  2. First-principle study on bonding mechanism of ZnO by LDA+U method

    International Nuclear Information System (INIS)

    Zhou, G.C.; Sun, L.Z.; Zhong, X.L.; Chen Xiaoshuang; Wei Lu; Wang, J.B.

    2007-01-01

    The electronic structure and the bonding mechanism of ZnO have been studied by using the Full-Potential Linear Augmented Plane Wave (FP-LAPW) method within the density-functional theory (DFT) based on LDA+U exchange correlation potential. The valence and the bonding charge density are calculated and compared with those derived from LDA and GGA to describe the bonding mechanism. The charge transfer along with the bonding process is analyzed by using the theory of Atoms in Molecules (AIM). The bonding, the topological characteristics and the p-d coupling effects on the bonding mechanism of ZnO are shown quantitatively with the critical points (CPs) along the bonding trajectory and the charge in the atomic basins. Meanwhile, the bonding characteristics for wurtzite, zinc blende and rocksalt phase of ZnO are discussed systematically in the present paper

  3. Bony injuries in trauma patients diagnosed by radiological examination

    International Nuclear Information System (INIS)

    Amponsah, G.; Gorleku, P. N.

    2015-01-01

    This study was carried out to determine the incidence of bony injuries in trauma patients who had plain radiographs done at the Central Regional Hospital in Cape Coast. This is a retrospective study based on plain radiographs taken by trauma patients who reported to the Central Regional Hospital. The case notes of all patients with a discharge diagnosis of Road Traffic Accident or trauma of all aetiologies that presented to the hospital between January 2005 and December 2011 were retrieved, and those patients that had skeletal radiographic examinations were included in this study. The total number of cases seen was 1,133. The ages of the patients ranged between 1 and 72 years. Sixty-nine (6.1%) of the patients were between 1 and 4 years old, with the majority between 20 and 49 years old, constituting 52.3%, with patients 60 years and above at 9.2%. There was statistically significant difference between male and female patients (p=0.001). A total of 912 (80.5%) patients had radiographic examination done out of which only 324 (35.5%) radiographs could be retrieved. There were 106 (32.7%) radiographs with various bony injuries which was statistically significant (p=0.001). Rib fractures represented 19/106 (17.9%) of which 62.5% had multiple rib fractures. Fifty-eight (54.7%) had long bone fractures. Other anatomical sites included the pelvis and the skull. Conclusion: Trauma is a major public health problem in the country, involving mainly the productive age group. Unnecessary exposure to X-rays is common. Inadequate management of trauma patients negatively impacts on the outcome of trauma patients. Trauma prevention is the best way forward.(au)

  4. Study of optical shuttering action in supramolecular hydrogen bonded nematogens

    Science.gov (United States)

    Kavitha, C.; Pongali Sathya Prabu, N.; Madhu Mohan, M. L. N.

    2012-11-01

    Supramolecular hydrogen bonded mesogens are formed between p-n-undecyloxy benzoic acid (11BAO) and p-n-alkyl benzoic acids (nBA, where n = 2-8). The isolated mesogens are characterized by distinct techniques in order to appreciate the optical, thermal, electrical, and dielectric properties. The optical tilt angle measurement is studied for all the members of this homologous series and is found to concur with the mean field theory predicted value. An interesting factor to notice is the observation of optical shuttering action in nematic phase of the entire series which privilege these materials to be used as light modulators. Dielectric measurements were carried out and the dispersion curves were discussed in terms of relaxation frequency and activation energies.

  5. Bony morphology of the hip in professional ballet dancers compared to athletes.

    Science.gov (United States)

    Mayes, Susan; Ferris, April-Rose; Smith, Peter; Garnham, Andrew; Cook, Jill

    2017-07-01

    To compare hip bony morphology between ballet dancers and a sporting control group and to determine the relationship with hip pain. Thirty-three professional ballet dancers and 33 age- and sex-matched athletes completed questionnaires, including the Copenhagen Hip and Groin Outcome Score (HAGOS), and underwent clinical testing and 3.0-T magnetic resonance imaging to measure acetabular coverage with lateral centre edge angles, femoral head-neck junction concavity with alpha angles at anterior and superior positions, femoral neck-shaft angles, and acetabular version angles. Bony morphological measures fell within normal ranges. Dancers had higher neck-shaft angles (dancers 134.6 ± 4.6°/athletes130.8 ± 4.7°, p = 0.002), lower acetabular version angles (13.5 ± 4.7°/17.1 ± 4.7°, p = 0.003), lower superior alpha angles (38.9 ± 6.9°/46.7 ± 10.6°, p ballet dancers have hip bony morphology that differentiates them from athletes. Hip pain correlated poorly with bony morphology. • Ballet dancers have hip bony morphology that may allow extreme hip motion. • Morphological parameter means fell within normal reference intervals in dancers. • Bony morphology correlates poorly with hip pain. • The risk of hip injury due to abnormal morphology requires prospective studies.

  6. Using chemical imaging to study bonding of dissimilar alloys

    International Nuclear Information System (INIS)

    Wuhrer, R.; Phillips, M.R.; Huggett, P.

    2002-01-01

    Full text: New welding techniques are currently being developed to bond very dissimilar materials such as cast irons or wear resistant steels welded to mild steel. X-ray mapping and chemical phase imaging provides useful information on the mass transport across the interface as well as phase segregation within the weld joint. Cast iron / steel and wear resistant steel / mild steel weld joints were mounted in a bakelite mount, cross-sectioned with a diamond wafering blade and polished to an optical finish using diamond abrasives. X-ray maps were collected at over a range of accelerating voltages using a Moran Scientific energy dispersive x-ray analysis and mapping system. These elemental x-ray maps were used to generate scatter plots, where pixel frequency versus element concentration profiles are plotted against each other in two or three dimensions for selected elements within the sample. The clusters observed in these plots correspond to different phases within the weld seam. The contributing pixels to each cluster can be used to reconstruct the spatial distribution of its associated phase in a chemical image of the specimen. Of particular interest to this study were the branches and links between clusters in each scatter plot and how these features correlate the chemical distribution of elements both in and around the bond region. Preliminary analysis indicated that these links and branches in the scatter plot correspond to solid solutions between chemical phases and diffusion gradients. Proper interpretation of these scatter plots will provide a better understanding of the chemical processes involved in welding dissimilar materials. Copyright (2002) Australian Society for Electron Microscopy Inc

  7. Evaluation of a New Nano-filled Bonding Agent for Bonding Orthodontic Brackets as Compared to a Conventional Bonding Agent: An in vitro Study

    Directory of Open Access Journals (Sweden)

    Sandesh S Pai

    2012-01-01

    Conclusion: Although both bonding agents provide clinically acceptable levels of bond strength, the technique to bond the nano-filled Prime and Bond NT is more cumbersome as compared to the Transbond XT material, which makes the latter a more popular choice in the clinical set up. If the application procedures for the Prime and Bond NT can be simplified then it could be a convenient option in the orthodontic practice.

  8. Avifauna of Boni-Dodori National Reserves, Lamu and Garissa ...

    African Journals Online (AJOL)

    observers conducted a 60 min walk along a designated path in open ... rophoneus viridis were recorded in the Boni-Dodori area for the first time. ..... Mouse-coloured Sunbird Cyanomitra veroxii * .... Expedition Field techniques: Bird Surveys.

  9. Blunt chest trauma: bony injury in the thorax.

    Science.gov (United States)

    Zreik, Nasri H; Francis, Irene; Ray, Arun; Rogers, Benedict A; Ricketts, David M

    2016-02-01

    The management of blunt chest trauma is an evolving concept with no clear current guidelines. This article explores the bony injuries associated with this, focusing on rib fractures and flail segments and the themes around investigation and best management.

  10. DIAGNOSTIC CRITERIA FOR PROLIFERATIVE THYROID LESIONS IN BONY FISHES

    Science.gov (United States)

    Thyroid proliferative lesions are rather common in bony fishes but disagreement exists in the fish pathology community concerning diagnostic criteria for hyperplastic versus neoplastic lesions. To simplify the diagnosis of proliferative thyroid lesions and to reduce confusion reg...

  11. Natural resources utilization by the Aweer in Boni-lungi and Dodori ...

    African Journals Online (AJOL)

    A study was conducted to record the utilization of Boni-Lungi and Dodori National Reserves by the Aweer community. Results indicate the procuring of a wide gamut of provisional, regulatory, cultural and supportive services from these reserves by the community ranging from wood forest products utilized in construction to ...

  12. The Nature of the Idealized Triple Bonds Between Principal Elements and the σ Origins of Trans-Bent Geometries-A Valence Bond Study.

    Science.gov (United States)

    Ploshnik, Elina; Danovich, David; Hiberty, Philippe C; Shaik, Sason

    2011-04-12

    We describe herein a valence bond (VB) study of 27 triply bonded molecules of the general type X≡Y, where X and Y are main element atoms/fragments from groups 13-15 in the periodic table. The following conclusions were derived from the computational data: (a) Single π-bond and double π-bond energies for the entire set correlate with the "molecular electronegativity", which is the sum of the X and Y electronegativites for X≡Y. The correlation with the molecular electronegativity establishes a simple rule of periodicity: π-bonding strength generally increases from left to right in a period and decreases down a column in the periodic table. (b) The σ frame invariably prefers trans bending, while π-bonding gets destabilized and opposes the trans distortion. In HC≡CH, the π-bonding destabilization overrides the propensity of the σ frame to distort, while in the higher row molecules, the σ frame wins out and establishes trans-bent molecules with 2(1)/2 bonds, in accord with recent experimental evidence based on solid state (29)Si NMR of the Sekiguchi compound. Thus, in the trans-bent molecules "less bonds pay more". (c) All of the π bonds show significant bonding contributions from the resonance energy due to covalent-ionic mixing. This quantity is shown to correlate linearly with the corresponding "molecular electronegativity" and to reflect the mechanism required to satisfy the equilibrium condition for the bond. The π bonds for molecules possessing high molecular electronegativity are charge-shift bonds, wherein bonding is dominated by the resonance energy of the covalent and ionic forms, rather than by either form by itself.

  13. A technique for the quantification of the 3D connectivity of thin articulations in bony sutures.

    Science.gov (United States)

    Maloul, Asmaa; Fialkov, Jeffrey; Hojjat, Seyed-Parsa; Whyne, Cari M

    2010-04-19

    The anatomy and development of cranial and facial sutures have been studied in detail using histological sections, 2D radiographs and more recently CT imaging. However, little attention has been paid to evaluating and quantifying the connectivity of these thin cortical bone articulations. More recent technological advances such as micro-CT imaging has the potential to be used to provide quantitative measurements of 3D connectivity in bony articulations. This study presents a new technique for quantifying the connectivity of bony projections inside cranial and facial sutures using a combination of skeletonization, thinning algorithms and 3D intensity mapping. The technique is demonstrated in five sutures through semi-automated analysis and image processing of microCT scans. In the sagittal, coronal and frontozygomatic sutures an average bone connectivity of 6.6-11.6% was found with multiple bony projections providing an interlocking structure between adjacent bones. Much higher bone connectivity was present in the zygomaticotemporal and zygomaticomaxillary sutures (22.7-37.4%) with few bony projections. This method combining microCT scanning and image processing techniques was successfully used to quantify the connectivity of thin bone articulations and allowed detailed assessment of sutural fusion in 3D. The wider application of this technique may allow quantification of connectivity in other structures, in particular fracture healing of long bones. Copyright 2009 Elsevier Ltd. All rights reserved.

  14. The Study on bonding test of Inconel 617 Heat Exchanger by Measuring Properties

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Il Hwan; Song, Chan Ho; Yoon, Seok Ho; Park, Sang Jin [Korea Institute of Machinery and Materials, Daejeon (Korea, Republic of)

    2014-05-15

    Basic materials are not melted and bonded through the diffusion of atoms. It is different from welding in a view point of not melting and additional bonding insertion materials are not used which is different from the method in brazing. This bonding method is favor for ultra high temperature and pressure condition, and the bonding part becomes almost same structure and property with high heat resistance and strength when it is compared with brazing method. But the process time is long and the cost is high. The quantitative analysis in bonding surface has not been suggested yet. In this paper, the bonding performance for diffusion bonded heat exchanger is examined and analyzed where its material is Inconel 617. thermal and mechanical properties such as thermal diffusivity and tensile strength are measured and compared for different bonding conditions. In this study, the bonding performance for heat exchanger using Inconel 617 is analyzed by measuring thermal and mechanical properties such as thermal diffusivity and tensile strength. The following results are obtained. From measuring thermal diffusivity, it is found that the difference between the diffusion bonded plates and bond failed plates is within 3%. The tensile strength in diffusion bonding is about 25% lower than that of original plate at 1150 .deg. C, but it is over 600 MPa. As bonding temperature increases, the size of grain boundary decreases From these results, the possibility for Inconel 617 heat exchanger under the high temperature and pressure through diffusion bonding process could be obtained and it is thought to be applied for many industrial equipment.

  15. The Study on bonding test of Inconel 617 Heat Exchanger by Measuring Properties

    International Nuclear Information System (INIS)

    Cho, Il Hwan; Song, Chan Ho; Yoon, Seok Ho; Park, Sang Jin

    2014-01-01

    Basic materials are not melted and bonded through the diffusion of atoms. It is different from welding in a view point of not melting and additional bonding insertion materials are not used which is different from the method in brazing. This bonding method is favor for ultra high temperature and pressure condition, and the bonding part becomes almost same structure and property with high heat resistance and strength when it is compared with brazing method. But the process time is long and the cost is high. The quantitative analysis in bonding surface has not been suggested yet. In this paper, the bonding performance for diffusion bonded heat exchanger is examined and analyzed where its material is Inconel 617. thermal and mechanical properties such as thermal diffusivity and tensile strength are measured and compared for different bonding conditions. In this study, the bonding performance for heat exchanger using Inconel 617 is analyzed by measuring thermal and mechanical properties such as thermal diffusivity and tensile strength. The following results are obtained. From measuring thermal diffusivity, it is found that the difference between the diffusion bonded plates and bond failed plates is within 3%. The tensile strength in diffusion bonding is about 25% lower than that of original plate at 1150 .deg. C, but it is over 600 MPa. As bonding temperature increases, the size of grain boundary decreases From these results, the possibility for Inconel 617 heat exchanger under the high temperature and pressure through diffusion bonding process could be obtained and it is thought to be applied for many industrial equipment

  16. Computed tomographic features of the bony canal of the cochlear nerve in pediatric patients with unilateral sensorineural hearing loss

    International Nuclear Information System (INIS)

    Kono, Tatsuo

    2008-01-01

    The aim of this study was to evaluate the diameters of the various bony canals of the inner ear in patients with sensorineural hearing loss (SNHL) and establish criteria for detecting hypoplasia of the bony canal of the cochlear nerve. Measurements obtained in 118 patients without inner ear malformations among 160 patients with unilateral SNHL were analyzed. The diameters of the internal auditory canal and the bony canals of the cochlear, vestibular, and facial nerves were measured on transverse or coronal computed tomographic images. Mean values (±standard deviation (SD)) were compared between the affected and unaffected ears, and statistical analysis was done. The diameter of the bony canal of the cochlear nerve was significantly smaller in affected ears than in unaffected ears (P<0.01). The affected ears could be divided into groups with (72 ears) and without (46 ears) bony canal stenosis. Most (60%) of the patients with unilateral SNHL showed a significant difference in the diameters of the bony canals of the cochlear nerve between the affected and unaffected sides; moreover, the mean value was significantly smaller in affected ears. The diameter of <1.7 mm on transverse images or <1.8 mm on coronal images suggests hypoplasia. (author)

  17. [Inconformity between soft tissue defect and bony defect in incomplete cleft palate].

    Science.gov (United States)

    Zhou, Xia; Ma, Lian

    2014-12-01

    To evaluate the inconformity between soft tissue defect and bony defect by observing the cleft extent of palate with complete secondary palate bony cleft in incomplete cleft palate patient. The patients with incomplete cleft palate treated in Hospital of Stomatology Peking University from July 2012 to June 2013 were reviewed, of which 75 cases with complete secondary palate bony cleft were selected in this study. The CT scan and intraoral photograph were taken before operation. The patients were classified as four types according to the extent of soft tissue defect. Type 1: soft tissue defect reached incisive foremen region, Type 2 was hard and soft cleft palate, Type 3 soft cleft palate and Type 4 submucous cleft palate. Type 1 was defined as conformity group (CG). The other three types were defined as inconformity group (ICG) and divided into three subgroups (ICG-I), (ICG-II) and (ICG-III). Fifty-seven patients were in ICG group, and the rate of inconformity was 76% (57/75). The percentage of ICG-I, ICG-II and ICG-III was 47% (27/57), 23% (13/57) and 30% (17/57), respevtively. There are different types of soft tissue deformity with complete secondary palate bony cleft. The inconformity between soft tissue and hard tissue defect exits in 3/4 of isolated cleft palate patients.

  18. Comparison of megavoltage position verification for prostate irradiation based on bony anatomy and implanted fiducials

    International Nuclear Information System (INIS)

    Nederveen, Aart J.; Dehnad, Homan; Heide, Uulke A. van der; Moorselaar, R. Jeroen A. van; Hofman, Pieter; Lagendijk, Jan J.W.

    2003-01-01

    Purpose: The patient position during radiotherapy treatment of prostate cancer can be verified with the help of portal images acquired during treatment. In this study we quantify the clinical consequences of the use of image-based verification based on the bony anatomy and the prostate target itself. Patients and methods: We analysed 2025 portal images and 23 computed tomography (CT) scans from 23 patients with prostate cancer. In all patients gold markers were implanted prior to CT scanning. Statistical data for both random and systematic errors were calculated for displacements of bones and markers and we investigated the effectiveness of an off-line correction protocol. Results: Standard deviations for systematic marker displacement are 2.4 mm in the lateral (LR) direction, 4.4 mm in the anterior-posterior (AP) direction and 3.7 mm in the caudal-cranial direction (CC). Application of off-line position verification based on the marker positions results in a shrinkage of the systematic error to well below 1 mm. Position verification based on the bony anatomy reduces the systematic target uncertainty to 50% in the AP direction and in the LR direction. No reduction was observed in the CC direction. For six out of 23 patients we found an increase of the systematic error after application of bony anatomy-based position verification. Conclusions: We show that even if correction based on the bony anatomy is applied, considerable margins have to be set to account for organ motion. Our study highlights that for individual patients the systematic error can increase after application of bony anatomy-based position verification, whereas the population standard deviation will decrease. Off-line target-based position verification effectively reduces the systematic error to well below 1 mm, thus enabling significant margin reduction

  19. A study on the bonding residual thermal stress analysis of dissimilar materials using boundary element method

    International Nuclear Information System (INIS)

    Yi, Won; Yu, Yeong Chul; Jeong, Eui Seob; Lee, Chang Ho

    1995-01-01

    It is very important to evaluate the bonding residual thermal stress in dissimilar materials such as LSI package. In this study, the bonding residual thermal stress was calculated using the boundary element method, varing with the sub-element, geometry of specimen and adhesive thickness. The present results reveal a stress singularity at the edge of the interface, therefore the bonding strength of metal/resin interface can be estimated by taking into account it.

  20. Maternal bonding styles in smokers and non-smokers: a comparative study

    OpenAIRE

    Csala, Iren; Elemery, Monika; Martinovszky, Fruzsina; Dome, Peter; Dome, Balazs; Faludi, Gabor; Sandor, Imola; Gyorffy, Zsuzsa; Birkas, Emma; Lazary, Judit

    2016-01-01

    Background Parental bonding has been implicated in smoking behavior, and the quality of maternal bonding (MB) has been associated with poor mental health and substance use. However, little is known about the association of MB and the smoking of the offspring. Methods In our study, 129 smokers and 610 non-smoker medical students completed the parental bonding instrument, which measures MB along two dimensions: care and overprotection. Four categories can be created by high and low scores on ca...

  1. Picosecond ultrasonics study of the modification of interfacial bonding by ion implantation

    International Nuclear Information System (INIS)

    Tas, G.; Loomis, J.J.; Maris, H.J.; Bailes, A.A. III; Seiberling, L.E.

    1998-01-01

    We report on experiments in which picosecond ultrasonic techniques are used to investigate the modification of interfacial bonding that results from ion implantation. The bonding is studied through measurements of the acoustic reflection coefficient at the interface. This method is nondestructive and can be used to create a map of the variation of the bonding over the area of the interface. copyright 1998 American Institute of Physics

  2. Crack propagation studies and bond coat properties in thermal ...

    Indian Academy of Sciences (India)

    Unknown

    sion of Al from Co base coatings on Ni base superalloy at high temperatures with ... stabilized with 8 wt% yttria thermal barrier coating was applied over the bond ... and machined to the size shown in table 1, where h is the height, b the width ...

  3. Density functional study of the bonding in small silicon clusters

    International Nuclear Information System (INIS)

    Fournier, R.; Sinnott, S.B.; DePristo, A.E.

    1992-01-01

    We report the ground electronic state, equilibrium geometry, vibrational frequencies, and binding energy for various isomers of Si n (n = 2--8) obtained with the linear combination of atomic orbitals-density functional method. We used both a local density approximation approach and one with gradient corrections. Our local density approximation results concerning the relative stability of electronic states and isomers are in agreement with Hartree--Fock and Moller--Plesset (MP2) calculations [K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988)]. The binding energies calculated with the gradient corrected functional are in good agreement with experiment (Si 2 and Si 3 ) and with the best theoretical estimates. Our analysis of the bonding reveals two limiting modes of bonding and classes of silicon clusters. One class of clusters is characterized by relatively large s atomic populations and a large number of weak bonds, while the other class of clusters is characterized by relatively small s atomic populations and a small number of strong bonds

  4. Studies of Metal-Metal Bonded Compounds in Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Berry, John F. [Univ. of Wisconsin, Madison, WI (United States)

    2018-01-19

    The overall goals of this research are (1) to define the fundamental coordination chemistry underlying successful catalytic transformations promoted by metal-metal bonded compounds, and (2) to explore new chemical transformations that occur at metal-metal bonded sites that could lead to the discovery of new catalytic processes. Transformations of interest include metal-promoted reactions of carbene, nitrene, or nitrido species to yield products with new C–C and C–N bonds, respectively. The most promising suite of transition metal catalysts for these transformations is the set of metal-metal bonded coordination compounds of Ru and Rh of the general formula M2(ligand)4, where M = Ru or Rh and ligand = a monoanionic, bridging ligand such as acetate. Development of new catalysts and improvement of catalytic conditions have been stymied by a general lack of knowledge about the nature of highly reactive intermediates in these reactions, the knowledge that is to be supplied by this work. Our three specific objectives for this year have been (A) to trap, isolate, and characterize new reactive intermediates of general relevance to catalysis, (B) to explore the electronic structure and reactivity of these unusual species, and how these two properties are interrelated, and (C) to use our obtained mechanistic knowledge to design new catalysts with a focus on Earth-abundant first-row transition metal compounds.

  5. Molecular orbital studies of the bonding in heavy element organometallics

    International Nuclear Information System (INIS)

    Bursten, B.E.

    1990-01-01

    This progress report contains highlights of research projects in actinide chemistry. Projects covered are bonding in Np, Pu, and transplutonium organometallic compounds, applications of the discrete variational Xα method to actinide chemistry, ab initio calculations on actinide molecules, and experimental comparisons of organoactinide and organotransition metal chemistry. Also included is brief discussions on budgets, funding, invited papers and invited presentations. (JL)

  6. Studies of IBL wire bonds operation in a ATLAS-like magnetic field.

    CERN Document Server

    Alvarez Feito, D; Mandelli, B

    2015-01-01

    At the Large Hadron Collider (LHC) experiments, most of silicon detectors use wire bonds to connect front-end chips and sensors to circuit boards for the data and service trans- missions. These wire bonds are operated in strong magnetic field environments and if time varying currents pass through them with frequencies close to their mechanical resonance frequency, strong resonant oscillations may occur. Under certain conditions, this effect can lead to fatigue stress and eventually breakage of wire bonds. During the first LHC Long Shutdown, the ATLAS Pixel Detector has been upgraded with the addition of a fourth innermost layer, the Insertable B-Layer (IBL), which has more than 50000 wire bonds operated in the ATLAS 2 T magnetic field. The results of systematic studies of operating wire bonds under IBL-like conditions are presented. Two different solutions have been investigated to minimize the oscillation amplitude of wire bonds.

  7. Morphometric Measurements of Bony Nasolacrimal Canal in Children.

    Science.gov (United States)

    Ela, Araz Server; Cigdem, Kalaycik Ertugay; Karagoz, Yesim; Yigit, Ozgur; Longur, Ecem Sevim

    2018-05-01

    Morphology and dimensions of the bony nasolacrimal canal duct (BNLD) as a key factor in the development of primary acquired nasolacrimal duct obstruction. We aimed to obtain detailed morphometric analysis of BNLD in children without nasolacrimal duct pathology by using computed tomography and provide standard measurements by means of age which could be utilized in planning management or in invasive interventions. Picture Archiving Communication Systems database of our hospital's radiology department was searched for this retrospective study. Subjects were under 18 years of age who had undergone a paranasal, maxillofacial, or temporal bone high-resolution computed tomography scan in last 2 years with various indications. Those with fractures including facial bones and/or nasolacrimal canal or history of nasolacrimal duct pathology were excluded from the study. We measured the diameter, angle, and surface area of BNLD. A total number of 136 subjects (86 boys, 50 girls) were included in the study. The average age was 7.3 ± 5.1 years. We documented statistically significantly positive correlation between all measured diameters and ages (P  0.050). Our study demonstrated that development of BNLD continues during childhood, regardless of gender.

  8. The relationship of transverse sinus stenosis to bony groove dimensions provides an insight into the aetiology of idiopathic intracranial hypertension

    Energy Technology Data Exchange (ETDEWEB)

    Connor, S.E.J.; Stewart, V.R.; O' Flynn, E.A.M. [King' s College Hospital, Neuroradiology Department, Ruskin Wing, London (United Kingdom); Siddiqui, M.A. [Southern General Hospital, Institute of Neurological Sciences, Glasgow (United Kingdom)

    2008-12-15

    Transverse sinus tapered narrowings are frequently identified in patients with idiopathic intracranial hypertension (IIH); however, it remains unclear whether they are primary stenoses or whether they occur secondary to raised cerebrospinal fluid pressure. Computed tomographic venography demonstrates both the morphology of the venous system and the adjacent bony grooves so it may provide an insight into the aetiology of these transverse sinus stenoses. Tapered transverse sinus narrowings (>50%) were studied in 19 patients without IIH and 14 patients with IIH. Computed tomography vascular studies were reviewed and the dimensions of the venous sinuses and bony grooves at the sites of maximum and minimum transverse sinus area dimensions were recorded. There was demonstrated to be a strong correlation of bony groove height with venous sinus height at the largest portions of the transverse sinus in both IIH patients and non-IIH subjects as well as at the transverse sinus narrowing in non-IIH subjects. There was a discordant relationship between bony groove height and venous sinus height at the site of transverse sinus stenoses in IIH patients. In 5/23 IIH transverse sinus stenoses, the bony groove height was proportionate to that seen in non-IIH subjects. There were a further 8/23 cases where the small or absent sinus was associated with an absent bony groove. Transverse sinus tapered narrowings in subjects without IIH and in the majority of patients with IIH were associated with proportionately small or absent grooves, and these are postulated to be primary or fixed. Some patients with IIH demonstrate tapered transverse sinus stenoses with disproportionately large bony grooves, suggesting a secondary or acquired narrowing. This implies a varied aetiology for the transverse sinus stenoses of IIH. (orig.)

  9. The relationship of transverse sinus stenosis to bony groove dimensions provides an insight into the aetiology of idiopathic intracranial hypertension

    International Nuclear Information System (INIS)

    Connor, S.E.J.; Stewart, V.R.; O'Flynn, E.A.M.; Siddiqui, M.A.

    2008-01-01

    Transverse sinus tapered narrowings are frequently identified in patients with idiopathic intracranial hypertension (IIH); however, it remains unclear whether they are primary stenoses or whether they occur secondary to raised cerebrospinal fluid pressure. Computed tomographic venography demonstrates both the morphology of the venous system and the adjacent bony grooves so it may provide an insight into the aetiology of these transverse sinus stenoses. Tapered transverse sinus narrowings (>50%) were studied in 19 patients without IIH and 14 patients with IIH. Computed tomography vascular studies were reviewed and the dimensions of the venous sinuses and bony grooves at the sites of maximum and minimum transverse sinus area dimensions were recorded. There was demonstrated to be a strong correlation of bony groove height with venous sinus height at the largest portions of the transverse sinus in both IIH patients and non-IIH subjects as well as at the transverse sinus narrowing in non-IIH subjects. There was a discordant relationship between bony groove height and venous sinus height at the site of transverse sinus stenoses in IIH patients. In 5/23 IIH transverse sinus stenoses, the bony groove height was proportionate to that seen in non-IIH subjects. There were a further 8/23 cases where the small or absent sinus was associated with an absent bony groove. Transverse sinus tapered narrowings in subjects without IIH and in the majority of patients with IIH were associated with proportionately small or absent grooves, and these are postulated to be primary or fixed. Some patients with IIH demonstrate tapered transverse sinus stenoses with disproportionately large bony grooves, suggesting a secondary or acquired narrowing. This implies a varied aetiology for the transverse sinus stenoses of IIH. (orig.)

  10. How and why of orthodontic bond failures: An in vivo study

    Directory of Open Access Journals (Sweden)

    R K Vijayakumar

    2014-01-01

    Full Text Available Introduction: The bonding of orthodontic brackets and their failure rates by both direct and in-direct procedures are well-documented in orthodontic literature. Over the years different adhesive materials and various indirect bonding transfer procedures have been compared and evaluated for bond failure rates. The aim of our study is to highlight the use of a simple, inexpensive and ease of manipulation of a single thermo-plastic transfer tray and the use the of a single light cure adhesive to evaluate the bond failure rates in clinical situations. Materials and Methods: A total of 30 patients were randomly divided into two groups (Group A and Group B. A split-mouth study design was used, for, both the groups so that they were distributed equally with-out bias. After initial prophylaxis, both the procedures were done as per manufactures instructions. All patients were initially motivated and reviewed for bond failures rates for 6 months. Results: Bond failure rates were assessed for over-all direct and indirect procedures, anterior and posterior arches, and for individual tooth. Z-test was used for statistically analyzing, the normal distribution of the sample in a spilt mouth study. The results of the two groups were compared and P value was calculated using Z-proportion test to assess the significance of the bond failure. Conclusion: Over-all bond failure was more for direct bonding. Anterior bracket failure was more in-direct bonding than indirect procedure, which showed more posterior bracket failures. In individual tooth bond failure, mandibular incisor, and premolar brackets showed more failure, followed by maxillary premolars and canines.

  11. Factors Affecting the Shear Bond Strength of Orthodontic Brackets - a Review of In Vitro Studies.

    Science.gov (United States)

    Bakhadher, Waleed; Halawany, Hassan; Talic, Nabeel; Abraham, Nimmi; Jacob, Vimal

    2015-01-01

    The adhesive material used to bond orthodontic brackets to teeth should neither fail during the treatment period, resulting in treatment delays, untoward expenses or patient inconvenience nor should it damage the enamel on debonding at the end of the treatment. Although the effectiveness of a bonding system and any unfavorable effects on the enamel may be studied by conducting in-vivo studies, it is nearly impossible to independently analyze different variables that influence a specific bonding system in the oral environment. In-vitro studies, on the other hand, may utilize more standardized protocols for testing different bonding systems and materials available. Thus, the present review focused attention on in-vitro studies and made an attempt to discuss material-related, teeth-related (fluorotic vs non-fluorotic teeth) and other miscellaneous factors that influences the shear bond strength of orthodontic brackets. Within the limitations of this review, using conventional acid-etch technique, ceramic brackets and bonding to non-fluorotic teeth was reported to have a positive influence on the shear bond strength of orthodontic brackets, but higher shear bond strength found on using ceramic brackets can be dangerous for the enamel.

  12. Laser etching of enamel for direct bonding - An in vitro study

    Directory of Open Access Journals (Sweden)

    Rajesh K Reddy

    2010-01-01

    Full Text Available The aim of the study was to determine the shear bond strength of mesh shaped stainless steel orthodontic brackets, bonded to acid etched enamel and laser etched enamel and to compare the shear bond strength following acid etching and laser etching. 50 non carious extracted premolar teeth divided in to 5 groups of 10 each were employed in the study. The buccal surfaces of group - I were subjected to conventional etching using 37% phosphoric acid for 30 seconds, while the other four groups were subjected to Nd:YAG laser etching at different power settings of 80mj, 100mj, 150mj and 200mj respectively for 15 seconds. Brackets were later bonded on to these teeth using Ultimate- light curing primer and adhesive. The shear bond strength of each sample was determined using a universal testing machine and the results were evaluated.

  13. Experimental Study on Steel to FRP Bonded Lap Joints in Marine Applications

    Directory of Open Access Journals (Sweden)

    Çiçek Özes

    2015-01-01

    Full Text Available Steel structures coated with fiber-reinforced polymer (FRP composites have gained wide acceptance in marine industry due to their high strength-to-weight ratio, good protection from environmental degradation, and impact loads. In this study, adhesive bonding performance of single-lap bonded joints composed of steel coated with FRP has been investigated experimentally for three different surface roughness and two epoxy types. Single-lap bonded joints have been tested under tensile loading. The adhesive bonding performance has been evaluated by calculating the strain energy values. The results reveal that the surface roughness of steel has a significant effect on the bonding performance of steel to FRP combinations and the performance of the resin can be improved by using the primer in an economical way.

  14. An in vitro study to evaluate the effect of two ethanol-based and two acetone-based dental bonding agents on the bond strength of composite to enamel treated with 10% carbamide peroxide

    Directory of Open Access Journals (Sweden)

    Deepa Basavaraj Benni

    2014-01-01

    Full Text Available Background and Objective: Carbamide peroxide bleaching has been implicated in adversely affecting the bond strength of composite to enamel. The objective of this in vitro study was to evaluate the effect of ethanol-based (Clearfil S 3 bond, Kuraray, Adper Single bond 2, 3M ESPE dental products and acetone-based (Prime and Bond NT, Dentsply, One Step, Bisco bonding agents on the shear bond strength of composite to enamel treated with 10% carbamide peroxide bleaching agent. Materials and Methods: A total of 120 extracted human noncarious permanent incisors were randomly divided into two groups (control and experimental. Experimental group specimens were subjected to a bleaching regimen with a 10% carbamide peroxide bleaching system (Opalescence; Ultradent Products Inc, South Jordan, USA. Composite resin cylinders were bonded to the specimens using four bonding agents and shear bond strength was determined with universal testing machine. Results: There was no statistically significant difference in the shear bond strength between control and experimental groups with both ethanol-based (Clearfil S 3 Bond and Adper Single Bond 2 and acetone-based bonding agent (Prime and Bond NT and One Step. Interpretation and Conclusion: The adverse effect of bleaching on bonding composite to enamel can be reduced or eliminated by using either ethanol- or acetone-based bonding agent. Clinical Significances: Immediate bonding following bleaching procedure can be done using ethanol- or acetone-based bonding agent without compromising bond strength.

  15. Parental Bonding

    Directory of Open Access Journals (Sweden)

    T. Paul de Cock

    2014-08-01

    Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.

  16. Study of a photo-induced lysozyme-riboflavin bond

    International Nuclear Information System (INIS)

    Ferrer, I.; Silva, E.

    1985-01-01

    Irradiation of lysozyme in the presence of riboflavin results in the formation of a lysozyme-riboflavin adduct. Reduction and carboxymethylation of the four disulfide bonds as well as the chemical modification of the Tyr residues and the photochemical alteration of the His residue in lysozyme, do not affect the formation of the photo-induced lysozyme-riboflavin bond. When the lysozyme-riboflavin adduct was subjected to mild acid hydrolysis and ion exchange chromatography, the retention of a compound containing 14 C-riboflavin was observed. Free 14 C-ribboflavin, on the contrary is not retained by the column. The photo-oxidation of free Trp in the presence of 14 C-riboflavin, gave a compound which bound to the ion exchange resin like the above-mentioned derivative. The photo-oxidation of the Trp residues in lysozyme and in peptides obtained from lysozyme showed very high quantum yields, and these values were directly related to the incorporation of 14 C-riboflavin in these samples. (orig.)

  17. Study of a photo-induced lysozyme-riboflavin bond

    Energy Technology Data Exchange (ETDEWEB)

    Ferrer, I; Silva, E

    1985-01-01

    Irradiation of lysozyme in the presence of riboflavin results in the formation of a lysozyme-riboflavin adduct. Reduction and carboxymethylation of the four disulfide bonds as well as the chemical modification of the Tyr residues and the photochemical alteration of the His residue in lysozyme, do not affect the formation of the photo-induced lysozyme-riboflavin bond. When the lysozyme-riboflavin adduct was subjected to mild acid hydrolysis and ion exchange chromatography, the retention of a compound containing /sup 14/C-riboflavin was observed. Free /sup 14/C-riboflavin, on the contrary is not retained by the column. The photo-oxidation of free Trp in the presence of /sup 14/C-riboflavin, gave a compound which bound to the ion exchange resin like the above-mentioned derivative. The photo-oxidation of the Trp residues in lysozyme and in peptides obtained from lysozyme showed very high quantum yields, and these values were directly related to the incorporation of /sup 14/C-riboflavin in these samples.

  18. The spectrum of allergy to South African bony fish (Teleosti ...

    African Journals Online (AJOL)

    Volunteer population-based cohort in the Western Cape. Participants. 105 volunteer subjects with suspected fish allergy were recruited by advertising in the local press. Main outcome. Species-specific bony fish allergy was confirmed or refuted by DBPCFC. Results. The four most common seafood species reported to cause ...

  19. Arthroscopic treatment of bony loose bodies in the subacromial space

    Directory of Open Access Journals (Sweden)

    Wei Li

    2015-01-01

    Conclusion: The mechanism of formation of bony loose bodies is not clear, may be associated with synovial cartilage metaplasia. Arthroscopic removal of loose bodies and bursa debridement is a good option for treatment of the loose body in the subacromial space, which can receive good function.

  20. Bony exostosis of the atlas with resultant cranial nerve palsy

    International Nuclear Information System (INIS)

    Slavotinek, J.P.; Sage, M.R.; Brophy, B.P.

    1991-01-01

    A case of tenth and twelfth nerve compression secondary to a bony exostosis of the first cervical vertebra is described. This uncommon phenomenon serves to outline the importance of imaging the course of a cranial nerve when no intracranial abnormality is demonstrable on CT or MRI. The radiologic features of spinal osteochondromas are reviewed. (orig.)

  1. Repair of pars defects by segmental transverse wiring for athletes with symptomatic spondylolysis: relationship between bony union and postoperative symptoms.

    Science.gov (United States)

    Hioki, Akira; Miyamoto, Kei; Sadamasu, Aya; Nozawa, Satoshi; Ogawa, Hiroyasu; Fushimi, Kazunari; Hosoe, Hideo; Shimizu, Katsuji

    2012-04-20

    Retrospective study of surgery for spondylolysis patients. To assess clinical outcome of bony union using multislice computed tomography after segmental wiring fixation. How bony union affects surgical outcome of spondylolysis repair is unclear. Forty-four athletes with symptomatic spondylolysis (33 men and 11 women; mean age, 24.2 ± 5.4 years) who underwent segmental wiring fixation were evaluated retrospectively at a mean follow-up of 85 ± 17 months. The level of spondylolysis was L5 in 42 cases, and both L4 and L5 in 2 cases, giving a total of 46 operative levels of vertebrae. Bony union using axial and sagittal reconstruction images of computed tomography, the Japanese Orthopaedic Association (JOA) score for back pain, and complications were reviewed. State of bony union was classified as bilateral union, unilateral union, or nonunion. The total score and the improvement ratio of the JOA score were compared among the 3 groups. Bilateral bony union was obtained in 29 cases (31 of 46 vertebrae, 67.4%). Six cases (13%) showed unilateral union, and 9 cases (19.6%) showed nonunion. JOA score increased significantly after surgery in all groups, average improvement rate was 78.9% in the bilateral group, 63.6% in the unilateral group, and 29.8% in the nonunion group; differences among the 3 groups were significant (P spondylolysis repair.

  2. Chemical activation of molecules by metals: Experimental studies of electron distributions and bonding

    International Nuclear Information System (INIS)

    Lichtenberger, D.L.

    1991-10-01

    The formal relationship between measured molecular ionization energies and thermodynamic bond dissociation energies has been developed into a single equation which unifies the treatment of covalent bonds, ionic bonds, and partially ionic bonds. This relationship has been used to clarify the fundamental thermodynamic information relating to metal-hydrogen, metal-alkyl, and metal-metal bond energies. We have been able to obtain a direct observation and measurement of the stabilization energy provided by the agostic interaction of the C-H bond with the metal. The ionization energies have also been used to correlate the rates of carbonyl substitution reactions of (η 5 -C 5 H 4 X)Rh(CO) 2 complexes, and to reveal the electronic factors that control the stability of the transition state. The extent that the electronic features of these bonding interactions transfer to other chemical systems is being investigated in terms of the principle of additivity of ligand electronic effects. Specific examples under study include metal- phosphines, metal-halides, and metallocenes. Especially interesting has been the recent application of these techniques to the characterization of the soccer-ball shaped C 60 molecule, buckminsterfullerene, and its interaction with a metal surface. The high-resolution valence ionizations in the gas phase reveal the high symmetry of the molecule, and studies of thin films of C 60 reveal weak intermolecular interactions. Scanning tunneling and atomic force microscopy reveal the arrangement of spherical molecules on gold substrates, with significant delocalization of charge from the metal surface. 21 refs

  3. Experimental Study on Fatigue Behaviour of BFRP-Concrete Bond Interfaces under Bending Load

    Directory of Open Access Journals (Sweden)

    Jianhe Xie

    2018-01-01

    Full Text Available Basalt fiber reinforced polymer (BFRP composites are increasingly being used to retrofit concrete structures by external bonding. For such strengthened members, the BFRP-concrete interface plays the crucial role of transferring stresses. This study aims to investigate the fatigue behaviour of the interface under bending load. A series of tests were conducted on BFRP-concrete bonded joint, including static, fatigue, and postfatigue loading. The fatigue failure modes, the development of deflection, the evolution of BFRP strains, and the propagation of interfacial cracks were analysed. In addition, the debonding-induced fatigue life of BFRP-concrete bonded joints was studied. Finally, a new model of fatigue life was proposed by defining the effective fatigue bond stress. The results showed that the fatigue experience has a significant effect on the BFRP strength especially near the root of concrete transverse crack and on the bond performance of the adhesive near the interface crack tip. There are two main fatigue failure modes: BFRP rupture and BFRP debonding. The fatigue damage development of the bond interface has three stages: rapid, stable, and unstable growth. The proposed model for the debonding-induced fatigue life is more conservative for the BFRP-concrete bonded joints under pure shear load than for those under bending load.

  4. MUNICIPAL BONDS AS THE FINANCING STRATEGY FOR URBAN INFRASTRUCTURE : CASE STUDY OF JAKARTA MRT

    Directory of Open Access Journals (Sweden)

    Eko Nur Surachman

    2016-10-01

    Full Text Available The construction of Jakarta MRT Phase I has been carried out by using funds from foreign debt. Meanwhile, Jakarta MRT Phase II or other local infrastructure projects are still waiting for new funding scheme. One alternative is municipal bonds. This study investigate the possibilities of using municipal bonds to finance urban infrastructure project with the case study of Jakarta MRTPhase I. The analyzed use three perspectives including financial aspect, legal aspect, and Jakarta financial capacity aspect. financial analysis using discounted cash flow (DCF, net present value (NPV and internal rate of return (IRR.Secondly, study literature is used in the legal analysis by exploring specific regulations regarding the municipal bonds. Finally, the Jakarta Regional Budget and Jakarta Budget Audit Report is examined to get insight and depth information regarding its financial capacity. The result is municipal bonds are feasible as the source of financing Jakarta MRT Project.

  5. A Study of Bond of Structural Timber and Carbon Fiber Reinforced Polymer Plate

    Directory of Open Access Journals (Sweden)

    Yongtaeg LEE

    2015-11-01

    Full Text Available The increase of well-being culture of problem related to environmental depletion of resource is not the growing interest in timber the natural material of construction markets. Also, the perception for historic preservation has been increased in respond to heightened interest. However, it is fairly difficult for architectural properties to maintain their durability because it was made by timber construction. Preventing traditional structure from damage and structural performance reduction is paramount in maintenance problem. A number of studies of reinforced method have been conducted in order to solve such a problem. In this paper, external bonded reinforcement and near-surface mounted was used as a way to reinforce timber structure’s durability. Bond strength for specimens with different bond length was investigated. As a result showed, maximum bond strength in bond length 300 mm from all method, was found to be not increased of bond strength over the certain bond length.DOI: http://dx.doi.org/10.5755/j01.ms.21.4.9702

  6. Bony defect of palate and vomer in submucous cleft palate patients.

    Science.gov (United States)

    Ren, S; Ma, L; Zhou, X; Sun, Z

    2015-01-01

    The aim of this study was to visualize bony defects of the palate and vomer in submucous cleft palate patients (SMCP) by three-dimensional (3D) computed tomography (CT) reconstruction and to classify the range of bony defects. Forty-eight consecutive non-operated SMCP patients were included. Diagnosis was based on the presence of at least one of three classical signs of SMCP: bifid uvula, a translucent zone in the midline of the soft palate, and a palpable 'V' notch on the posterior border of the bony palate. Patients were imaged using spiral CT. 3D reconstruction models were created of the palate and vomer. The sagittal extent of the bony cleft in SMCP was classified into four types: type I, no V-shaped hard palate cleft (8.3%); type II, cleft involving the partial palate (43.8%); type III, cleft involving the complete palate and extending to the incisive foramen (43.8%); type IV, cleft involving the complete palate and the alveolar bone (4.2%). The extent of the vomer defect was classified into three types: type A, vomer completely fused with the palate (8.3%); type B, vomer partially fused with the palate (43.8%); type C, vomer not fused with the palate up to the incisive foramen (47.9%). Significant variability in hard palate defects in SMCP is the rule rather than the exception. The association of velopharyngeal insufficiency with anatomical malformations may be complex. Copyright © 2014 International Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

  7. Substituent Effects on the Stability of Thallium and Phosphorus Triple Bonds: A Density Functional Study.

    Science.gov (United States)

    Lu, Jia-Syun; Yang, Ming-Chung; Su, Ming-Der

    2017-07-05

    Three computational methods (M06-2X/Def2-TZVP, B3PW91/Def2-TZVP and B3LYP/LANL2DZ+dp) were used to study the effect of substitution on the potential energy surfaces of RTl≡PR (R = F, OH, H, CH₃, SiH₃, SiMe(Si t Bu₃)₂, Si i PrDis₂, Tbt (=C₆H₂-2,4,6-(CH(SiMe₃)₂)₃), and Ar* (=C₆H₃-2,6-(C₆H₂-2, 4,6- i -Pr₃)₂)). The theoretical results show that these triply bonded RTl≡PR compounds have a preference for a bent geometry (i.e., ∠R⎼Tl⎼P ≈ 180° and ∠Tl⎼P⎼R ≈ 120°). Two valence bond models are used to interpret the bonding character of the Tl≡P triple bond. One is model [I], which is best described as TlP. This interprets the bonding conditions for RTl≡PR molecules that feature small ligands. The other is model [II], which is best represented as TlP. This explains the bonding character of RTl≡PR molecules that feature large substituents. Irrespective of the types of substituents used for the RTl≡PR species, the theoretical investigations (based on the natural bond orbital, the natural resonance theory, and the charge decomposition analysis) demonstrate that their Tl≡P triple bonds are very weak. However, the theoretical results predict that only bulkier substituents greatly stabilize the triply bonded RTl≡PR species, from the kinetic viewpoint.

  8. Effects of platelet-rich fibrin on healing of intra-bony defects treated with anorganic bovine bone mineral.

    Science.gov (United States)

    Sezgin, Yasemin; Uraz, Ahu; Taner, I Levent; Çulhaoğlu, Rana

    2017-01-26

    Anorganic bovine bone mineral (ABBM) is extensively used in the treatment of intra-bony defects. Platelet-rich fibrin (PRF) is a new-generation platelet concentrate with a simplified technique. Although certain studies have reported the use of PRF in the treatment of intra-bony defects, to date, none of them have evaluated its additive effects with ABBM. Therefore, a randomised, split-mouth clinical trial was conducted to compare healing of intra-bony defects treated with an ABBM-PRF combination with healing of those treated with ABBM alone. By using a split-mouth design, 15 paired intra-bony defects were randomly treated with either ABBM alone (control group) or ABBM-PRF combination (test group). Following clinical parameters and radiographical measurements were recorded at baseline and 6 months after treatment: plaque index (PI), gingival index (GI), probing depth (PD), gingival recession (GR), clinical attachment level (CAL), vertical bone loss, depth of defect and defect angle. Preoperative clinical and radiographical measurements were similar for the test and control groups. Statistically significant reductions in GI, PD, CAL, vertical bone loss, depth of intra-bony defect and widening of defect angle were detected after treatment in both groups. With respect to inter-group analysis, gain in CAL was significantly greater in the test group than in the control group, whereas no inter-group differences were observed in any other parameter. The results of this study indicate that both therapies are effective in the treatment of intra-bony defects.

  9. Vertebral bony tumor of giant cells

    International Nuclear Information System (INIS)

    Jaramillo Carling, Eduardo

    2005-01-01

    This is a report of a 37 years old, masculine patient, in whom a unique primary bone injury was demonstrated, located at T-11, diagnosed as a giant cells tumor (osteoclastoma). Location is described in the literature as unusual. The clinical presentation of the injury is described, as the initial radiological studies and magnetic resonance images 8 years after surgical treatment, with no neoplasic recurrences. The medical literature of these primary bone injuries and its treatment was also reviewed. Objectives: to present a patient with an unusual extramedullar tumor injury, of primary bone origin, benign, treated surgically and who has a post surgical follow-up of 8 years. Local tumor recurrence and not pulmonary metastasis was demonstrated. The medical literature of this bone pathology that affects the spine in an infrequent manner, was also reviewed, specially the related to medical, surgical and radio-therapeutic treatments. Methodology: the clinical history of the patient is described, who was successfully operated, because the expansive tumor was totally drawn out, without neurological injury; inter operating or post-operating vertebral instability was not observed or diagnosed. The patient was controlled in periodic form, with last medical checkup and of magnetic resonance 8 years after the surgery. The medical publications existing are reviewed

  10. Tin-Silver Alloys for Flip-Chip Bonding Studied with a Rotating Cylinder Electrode

    DEFF Research Database (Denmark)

    Tang, Peter Torben; Pedersen, E.H.; Bech-Nielsen, G.

    1999-01-01

    Electrodeposition of solder for flip-chip bonding is studied in the form of a pyrophosphate/iodide tin-silver alloy bath. The objective is to obtain a uniform alloy composition, with 3.8 At.% silver, over a larger area. This specific alloy will provide an eutectic solder melting at 221°C (or 10°C...... photoresist, have shown a stable and promising alternative to pure tin and tin-lead alloys for flip-chip bonding applications....

  11. Management of segmental bony defects: the role of osteoconductive orthobiologics.

    Science.gov (United States)

    McKee, Michael D

    2006-01-01

    Our knowledge about, and the availability of, orthobiologic materials has increased exponentially in the last decade. Although previously confined to the experimental or animal-model realm, several orthobiologics have been shown to be useful in a variety of clinical situations. As surgical techniques in vascular anastomosis, soft-tissue coverage, limb salvage, and fracture stabilization have improved, the size and frequency of bony defects (commensurate with the severity of the initial injury) have increased, as well. Because all methods of managing segmental bony defects have drawbacks, a need remains for a readily available, void-filling, inexpensive bone substitute. Such a bone substitute fulfills a permissive role in allowing new bone to grow into a given defect. Such potential osteoconductive materials include ceramics, calcium sulfate or calcium phosphate compounds, hydroxyapatite, deproteinized bone, corals, and recently developed polymers. Some materials that have osteoinductive properties, such as demineralized bone matrix, also display prominent osteoconductive properties.

  12. Imaging of the hip and bony pelvis. Techniques and applications

    Energy Technology Data Exchange (ETDEWEB)

    Davies, A.M. [Royal Orthopaedic Hospital, Birmingham (United Kingdom). MRI Centre; Johnson, K.J. [Princess of Wales Birmingham Children' s Hospital (United Kingdom); Whitehouse, R.W. (eds.) [Manchester Royal Infirmary (United Kingdom). Dept. of Clinical Radiology

    2006-07-01

    This is a comprehensive textbook on imaging of the bony pelvis and hip joint that provides a detailed description of the techniques and imaging findings relevant to this complex anatomical region. In the first part of the book, the various techniques and procedures employed for imaging the pelvis and hip are discussed in detail. The second part of the book documents the application of these techniques to the diverse clinical problems and diseases encountered. Among the many topics addressed are congenital and developmental disorders including developmental dysplasia of the hip, irritable hip and septic arthritis, Perthes' disease and avascular necrosis, slipped upper femoral epiphysis, bony and soft tissue trauma, arthritis, tumours and hip prostheses. Each chapter is written by an acknowledged expert in the field, and a wealth of illustrative material is included. This book will be of great value to musculoskeletal and general radiologists, orthopaedic surgeons and rheumatologists. (orig.)

  13. Novel electrochemical approach to study corrosion mechanism of Al-Au wire-bond pad interconnections

    DEFF Research Database (Denmark)

    Elisseeva, O. V.; Bruhn, A.; Cerezo, J.

    2013-01-01

    A gold-aluminium material combination is typically employed as an interconnection for microelectronic devices. One of the reliability risks of such devices is that of corrosion of aluminium bond pads resulting from the galvanic coupling between an aluminium bond pad and a gold wire. The research...... presented in this manuscript focuses on studying bond pad corrosion by selecting an appropriate model system and a dedicated set of electrochemical and analytical experimental tools. Taking into account the complex three-dimensional structure and the small dimensions of Au-Al interconnections (around 50......-100 μm), a dedicated and novel experimental approach was developed. Au-Al covered silicon chips were developed under clean room conditions. Three-dimensional electrodes were mimicked as flat, two-dimensional bond pad model systems, allowing the use of microelectrochemical local probe techniques. Thin...

  14. A Computational and Theoretical Study of Conductance in Hydrogen-bonded Molecular Junctions

    Science.gov (United States)

    Wimmer, Michael

    This thesis is devoted to the theoretical and computational study of electron transport in molecular junctions where one or more hydrogen bonds are involved in the process. While electron transport through covalent bonds has been extensively studied, in recent work the focus has been shifted towards hydrogen-bonded systems due to their ubiquitous presence in biological systems and their potential in forming nano-junctions between molecular electronic devices and biological systems. This analysis allows us to significantly expand our comprehension of the experimentally observed result that the inclusion of hydrogen bonding in a molecular junction significantly impacts its transport properties, a fact that has important implications for our understanding of transport through DNA, and nano-biological interfaces in general. In part of this work I have explored the implications of quasiresonant transport in short chains of weakly-bonded molecular junctions involving hydrogen bonds. I used theoretical and computational analysis to interpret recent experiments and explain the role of Fano resonances in the transmission properties of the junction. In a different direction, I have undertaken the study of the transversal conduction through nucleotide chains that involve a variable number of different hydrogen bonds, e.g. NH˙˙˙O, OH˙˙˙O, and NH˙˙˙N, which are the three most prevalent hydrogen bonds in biological systems and organic electronics. My effort here has focused on the analysis of electronic descriptors that allow a simplified conceptual and computational understanding of transport properties. Specifically, I have expanded our previous work where the molecular polarizability was used as a conductance descriptor to include the possibility of atomic and bond partitions of the molecular polarizability. This is important because it affords an alternative molecular description of conductance that is not based on the conventional view of molecular orbitals as

  15. Between Organism and Sky: Oscar Bony, 1965-1976

    Directory of Open Access Journals (Sweden)

    Daniel Quiles

    2014-06-01

    Full Text Available Oscar Bony was a key figure in the generation of avant-garde artists who famously broke with the Instituto Torcuato Di Tella in the wake of censorship at Experiencias ’68. He was also the official photographer for RCA’s affiliate record label in Argentina between 1967 and 1973, producing publicity for a new wave of rock n’ roll bands and solo popular music acts including Los Gatos and Arco Iris. Attending to key phases in his artistic oeuvre as well as close readings of his expertly crafted popular images, this article attempts to bridge these seemingly irreconcilable aspects of Bony’s practice. At first glance, his rock photography, known as el estilo Bony, has little relation to his art, and is perhaps even its political antithesis: “creative” work in the service of a top-down business model. Yet a closer look at both endeavors yields a lasting interplay between flesh and concept—at the grain of the work, a dialectic between incontrovertible index and crafted, calculated image—that was the artist’s central preoccupation in the fraught decade between the military coups. As such, Bony provides an opportunity to recover a category often absent from the Argentine art of this moment: the body, factual and libidinal.

  16. Wind rotor power station BONI-ShHV

    International Nuclear Information System (INIS)

    Bolotov, A.V.

    1999-01-01

    Wind rotor power station (WRPS) BONI-ShHV has following advantages : the increase of installation stability by rise of wind velocity and rotation speed of rotor due to gyroscopic effect; the absence noise and vibration; the safety for birds and animals; ability of compact installation and creation of series of wind power dams with higher capacity; the simplicity and fast assembling and putting into operation. The price of 1 k W of installing capacity is lower about 2.5-3 times compare to usual WRPS due to simple kinematic scheme. WRPS has high specific output of electrical energy due to use of low and long existing wind velocity and due to short storms, giving greater power. It has ability to be replayed when average annual wind velocity is above 5.5 m/s in comparison with propeller WRPS, which are never repaying. WRPS BONI-ShHV are made on the plants of Republic of Kazakhstan, and tested in wind velocity range up 45 m/s, have experience of 3 years of operation, showing their reliability and effectiveness. The repayment period of individual WRPS BONI-0.5/6 ShHV is from 10 month to 1 year depending on average annual velocity

  17. Effect of various commercially available mouthrinses on shear bond strength of orthodontic metal brackets: An in vitro study

    Directory of Open Access Journals (Sweden)

    Nazeer Ahmed Meeran

    2013-01-01

    Conclusion: Alcohol containing mouthrinses affect the shear bond strength of the metal orthodontic brackets bonded with composite resin (Transbond XT in the present study, more when compared with alcohol-free mouthrinses. It is, therefore, highly advisable to avoid alcohol containing mouthrinses in patients undergoing orthodontic treatment and use alcohol-free mouthrinses as adjuncts to regular oral hygiene procedures for maintaining good enamel integrity and periodontal health, without compromising the shear bond strength of the bonded metal brackets.

  18. Observations on the bony bridging of the jugular foramen in man.

    Science.gov (United States)

    Dodo, Y

    1986-02-01

    The anatomical nature and pattern of incidence of bony bridging of the jugular foramen was investigated using 64 fetal crania aged nine months to term and 222 adult crania of Japanese. In addition, the region of the jugular foramen of an adult cadaver was carefully dissected in order to clarify the relationship between the cranial nerves passing through the jugular foramen and the intrajugular processes of the jugular foramen. The general conclusions concerning the anatomical nature of the bony bridging of the jugular foramen were as follows. (1) The intrajugular process of the temporal bone is situated posterior to the triangular depression (as described in Gray's Anatomy) of the petrous part. (2) The bony bridging of the jugular foramen is established by the contact of the intrajugular process of the temporal bone with the bony process of the occipital bone projecting either from just above the hypoglossal canal (Type I) or from posterior to the hypoglossal canal (Type III). (3) If both the processes of the occipital bone reach the intrajugular process of the temporal bone simultaneously, the jugular foramen is divided into three compartments. (4) In the case of Type I bridging, the anteromedial compartment transmits the glossopharyngeal nerve, while the posterolateral compartment gives passage to the vagus nerve, the accessory nerve and the internal jugular vein. (5) In the case of Type II bridging, the anteromedial compartment contains the glossopharyngeal, vagus and accessory nerves, and the posterolateral compartment transmits the internal jugular vein. (6) When tripartite division of the jugular foramen occurs, the anteromedial compartment transmits the glossopharyngeal nerve, the middle compartment contains the vagus and accessory nerves, and the posterolateral compartment transmits the internal jugular vein. Concerning the pattern of incidence of jugular foramen bridging in the Japanese fetal and adult cranial series, this is similar to that of the bony

  19. Hydrogen bonds and heat diffusion in α-helices: a computational study.

    Science.gov (United States)

    Miño, German; Barriga, Raul; Gutierrez, Gonzalo

    2014-08-28

    Recent evidence has shown a correlation between the heat diffusion pathways and the known allosteric communication pathways in proteins. Allosteric communication in proteins is a central, yet unsolved, problem in biochemistry, and the study and characterization of the structural determinants that mediate energy transfer among different parts of proteins is of major importance. In this work, we characterized the role of hydrogen bonds in diffusivity of thermal energy for two sets of α-helices with different abilities to form hydrogen bonds. These hydrogen bonds can be a constitutive part of the α-helices or can arise from the lateral chains. In our in vacuo simulations, it was observed that α-helices with a higher possibility of forming hydrogen bonds also had higher rates of thermalization. Our simulations also revealed that heat readily flowed through atoms involved in hydrogen bonds. As a general conclusion, according to our simulations, hydrogen bonds fulfilled an important role in heat diffusion in structural patters of proteins.

  20. Guided tissue regeneration for periodontal infra-bony defects.

    Science.gov (United States)

    Needleman, I G; Worthington, H V; Giedrys-Leeper, E; Tucker, R J

    2006-04-19

    Conventional treatment of destructive periodontal (gum) disease arrests the disease but does not usually regain the bone support or connective tissue lost in the disease process. Guided tissue regeneration (GTR) is a surgical procedure that specifically aims to regenerate the periodontal tissues when the disease is advanced and could overcome some of the limitations of conventional therapy. To assess the efficacy of GTR in the treatment of periodontal infra-bony defects measured against conventional surgery (open flap debridement (OFD)) and factors affecting outcomes. We conducted an electronic search of the Cochrane Oral Health Group Trials Register, MEDLINE and EMBASE up to April 2004. Handsearching included Journal of Periodontology, Journal of Clinical Periodontology, Journal of Periodontal Research and bibliographies of all relevant papers and review articles up to April 2004. In addition, we contacted experts/groups/companies involved in surgical research to find other trials or unpublished material or to clarify ambiguous or missing data and posted requests for data on two periodontal electronic discussion groups. Randomised, controlled trials (RCTs) of at least 12 months duration comparing guided tissue regeneration (with or without graft materials) with open flap debridement for the treatment of periodontal infra-bony defects. Furcation involvements and studies specifically treating aggressive periodontitis were excluded. Screening of possible studies and data extraction was conducted independently. The methodological quality of studies was assessed in duplicate using individual components and agreement determined by Kappa scores. Methodological quality was used in sensitivity analyses to test the robustness of the conclusions. The Cochrane Oral Health Group statistical guidelines were followed and the results expressed as mean differences (MD and 95% CI) for continuous outcomes and risk ratios (RR and 95% CI) for dichotomous outcomes calculated using

  1. Immediate Single-Tooth Implant Placement in Bony Defects in the Esthetic Zone : A 1-Year Randomized Controlled Trial

    NARCIS (Netherlands)

    Slagter, Kirsten W.; Meijer, Henny J. A.; Bakker, Nicolaas A.; Vissink, Arjan; Raghoebar, Gerry M.

    Background: This study aims to assess, with regard to marginal bone level (MBL), whether the outcome of immediate implant placement in bony defects in the esthetic zone was non-inferior to delayed implant placement after 1 year. Methods: Forty patients with a failing tooth in the esthetic zone and a

  2. Comparative study to evaluate shear bond strength of RMGIC to composite resin using different adhesive systems

    Directory of Open Access Journals (Sweden)

    Manoj G Chandak

    2012-01-01

    Full Text Available Aim: The aim of the study is to compare and evaluate the role of new dental adhesives to bond composite to the resinmodified glass inomer cement (RMGIC. Materials and Methods: Thirty specimens were prepared on acrylic blocks, with wells prepared in it by drilling holes, to retain the RMGIC. The specimens were randomly divided into three groups of ten specimens each. In Group a thin layer of selfetch adhesive (3M ESPE was applied between the RMGIC and the composite resin FILTEK P60 (3M SPE. In Group II, total etch adhesive (Adeper Scotch bond 2, 3M ESPE was applied, and in Group III, there was no application of any adhesive between RMGIC and the composite resin. After curing all the specimens, the shear bond strength was measured using an Instron universal testing machine. Results: The results were drawn and tabulated using ANOVA-fishers and Dunnet D statistical tests.The maximum shear bond strength values were recorded in Group I specimens with self-etch adhesive showing a mean value of 2.74 when compared to the Group II adhesive (Total etch showing a mean shear strength of value 1.89, where no adhesive was used, showed a minimum mean shear bond strength of 1.42. There was a great and significant difference between Group I and Group II (P value 0.05 whereas, both Group I and Group II showed a vast and significant difference from Group III (P value = 0-001. Conclusion: Hence, this present study concludes that application of self-etch adhesive (3M ESPE, U.S.A in between RMGIC and composite resin increases the shear bond strength between RMGIC and the resin composites, as compared to the total-etch type adhesive (Adeper Scotch bond 2,3M ESPE, U.S.A as well as without application of the adhesive agent.

  3. Empirical Studies on Financial Markets: Private Equity, Corporate Bonds and Emerging Markets

    NARCIS (Netherlands)

    G.J. de Zwart (Gerben)

    2008-01-01

    textabstractThis dissertation consists of five empirical studies on financial markets. Each study can be read independently and covers a specific market, either private equity, corporate bonds or emerging markets. The first study documents that risk factors cannot account for the significant excess

  4. Shear bond strength and debonding characteristics of metal and ceramic brackets bonded with conventional acid-etch and self-etch primer systems: An in-vivo study.

    Science.gov (United States)

    Mirzakouchaki, Behnam; Shirazi, Sajjad; Sharghi, Reza; Shirazi, Samaneh; Moghimi, Mahsan; Shahrbaf, Shirin

    2016-02-01

    Different in-vitro studies have reported various results regarding shear bond strength (SBS) of orthodontic brackets when SEP technique is compared to conventional system. This in-vivo study was designed to compare the effect of conventional acid-etching and self-etching primer adhesive (SEP) systems on SBS and debonding characteristics of metal and ceramic orthodontic brackets. 120 intact first maxillary and mandibular premolars of 30 orthodontic patients were selected and bonded with metal and ceramic brackets using conventional acid-etch or self-etch primer system. The bonded brackets were incorporated into the wire during the study period to simulate the real orthodontic treatment condition. The teeth were extracted and debonded after 30 days. The SBS, debonding characteristics and adhesive remnant indices (ARI) were determined in all groups. The mean SBS of metal brackets was 10.63±1.42 MPa in conventional and 9.38±1.53 MPa in SEP system, (P=0.004). No statistically significant difference was noted between conventional and SEP systems in ceramic brackets. The frequency of 1, 2 and 3 ARI scores and debonding within the adhesive were the most common among all groups. No statistically significant difference was observed regarding ARI or failure mode of debonded specimens in different brackets or bonding systems. The SBS of metal brackets bonded using conventional system was significantly higher than SEP system, although the SBS of SEP system was clinically acceptable. No significant difference was found between conventional and SEP systems used with ceramic brackets. Total SBS of metal brackets was significantly higher than ceramic brackets. Due to adequate SBS of SEP system in bonding the metal brackets, it can be used as an alternative for conventional system. Shear bond strength, Orthodontic brackets, Adhesive remnant index, self-etch.

  5. Structures and the Hydrogen Bonding Abilities of Estrogens Studied by Supersonic Jet/laser Spectroscopy

    Science.gov (United States)

    Morishima, Fumiya; Inokuchi, Yoshiya; Ebata, Takayuki

    2013-06-01

    Estrone, estradiol, estriol are known as endogenous estrogen which have the same steroidal frame with different substituent, leading to difference of physiological activity upon the formation of hydrogen bond with estrogen receptor. In the present study, structures of estrogens and their hydrated clusters in a supersonic jet have been studied by various laser spectroscopic techniques and density functional theory calculation to study how the difference of substituents affects their hydrogen bonding ability. Infrared spectra in the OH stretching region indicate a formation of intramolecular hydrogen-bond in estriol, which may lead to weaker physiological activity among the three estrogens. We also measured electronic and infrared spectra of 1:1 hydrated clusters of estrogen. The results show a switch of stable hydration site from the phenolic OH group to the five member ring by substituting one more OH group.

  6. The Strength of Hydrogen Bonds between Fluoro-Organics and Alcohols, a Theoretical Study.

    Science.gov (United States)

    Rosenberg, Robert E

    2018-05-10

    Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is critical to understand the strengths of hydrogen bonds involving fluorine. There are only a few published examples of the strengths of these bonds. This study provides a high level ab initio study of inter- and intramolecular hydrogen bonds between RF and R'OH, where R and R' are aryl, vinyl, alkyl, and cycloalkyl. Intermolecular binding energies average near 5 kcal/mol, while intramolecular binding energies average about 3 kcal/mol. Inclusion of zero-point energies and applying a counterpoise correction lessen the difference. In both series, modest increases in binding energies are seen with increased acidity of R'OH and increased electron donation of R in RF. In the intramolecular compounds, binding energy increases with the rigidity of the F-(C) n -OH ring. Inclusion of free energy corrections at 298 K results in exoergic binding energies for the intramolecular compounds and endoergic binding energies for the intermolecular compounds. Parameters such as bond lengths, vibrational frequencies, and atomic populations are consistent with formation of a hydrogen bond and with slightly stronger binding in the intermolecular cases over the intramolecular cases. However, these parameters correlated poorly with binding energies.

  7. A comparative computational study of Csbnd N and Csbnd C bonding visible to NIR absorbing croconines

    Science.gov (United States)

    Chetti, Prabhakar; Tripathi, Anuj

    2018-03-01

    The lowest electronic excitations and charge transfer properties in two series of croconine dyes; 1) molecules with Csbnd N bonding, having an absorption in the visible region (400-600 nm) and 2) molecules with Csbnd C bonding, showing absorption in visible to near infrared (NIR) region (600-1100 nm) are analyzed by quantum-chemical calculations. The absorption maxima in Csbnd C bonding croconines (CCR) are always having 200-300 nm red shifted than its corresponding Csbnd N bonding croconines (NCR). The reason for this drastic red shift in CCR series than its corresponding NCR has been systematically studied by DFT, TDDFT and SAC-CI methods. It is found that, CCR series are with less charge transfer in nature and are having larger diradical character, whereas NCR series molecules showing larger charge transfer with lower diradical character. The change in bonding mode of central five membered croconate ring, from Csbnd N to Csbnd C, destabilization and/stabilization of HOMO LUMO levels were observed. This study may helpful in the design and synthesis of new visible to NIR absorbing croconine dyes which are useful in materials applications.

  8. Chemical activation of molecules by metals: Experimental studies of electron distributions and bonding

    International Nuclear Information System (INIS)

    Lichienberger, D.L.

    1990-10-01

    This quarter has witnessed further progress both in our experimental methods of photoelectron spectroscopy and in our understanding the fundamental relationships between ionization energies and the chemistry of transition metal species. Progress continues on the new gas phase photoelectron spectrometer that combine improved capabilities for HeI/HeII UPS, XPS, and Auger investigations of organometallic molecules. Several measurements have been accomplished this year that were not possible previously. We have published the formal relationship between measured molecular ionization energies and thermodynamic bond dissociation energies, and applied the relationships to homonuclear and heteronuclear diatomic molecules, multiple bonds, and metal-ligand bonds. Studies of C-H bond activation have continued with examination of different degrees of Si-H bond addition to metals. the electronic effects of intermolecular interactions have been observed by comparing the ionizations of metal complexes in the gas phase with the ionizations of monolayer solid organometallic films prepared in ultra-high vacuum. The orientations of the molecules have been determined by scanning tunneling microscopy. Especially interesting has been the recent application of these techniques to the characterization of the soccer-ball shaped C 60 molecule, buckminsterfullerene. Studies of the following complexes are described : Fe, Os, Nb, Mo, Rh, Re, Al, and Mn. 19 refs

  9. Theoretical and Experimental Study on Vibration Propagation in PMMA Components in Ultrasonic Bonding Process

    Directory of Open Access Journals (Sweden)

    Yibo Sun

    2017-03-01

    Full Text Available Ultrasonic bonding has an increasing application in the micro assembly of polymeric micro-electro mechanical systems (MEMS with high requirements for fusion precision. In the ultrasonic bonding process, the propagation of ultrasonic vibration in polymer components is related to the interfacial fusion, which can be used as a monitoring parameter to control ultrasonic energy. To study the vibration propagation in viscoelastic polymer components, finite element analysis on the bonding of poly methyl methacrylate (PMMA micro connector to substrate for microfluidic system is carried out. Curves of propagated vibration amplitude corresponding to interfacial temperatures are obtained. The ultrasonic vibration propagated in PMMA components are measured through experiments. The theoretical and experimental results are contrasted to analyze the change mechanism of vibration propagation related to temperature. Based on the ultrasonic bonding process controlled by the feedback of vibration propagation, interfacial fusions at different vibration propagation states are obtained through experiments. Interfacial fusion behavior is contrasted to the propagated vibration amplitude in theoretical and experimental studies. The relation between vibration propagation and fusion degree is established with the proper parameter range for the obtained high quality bonding.

  10. Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study

    Science.gov (United States)

    Kosar, Naveen; Mahmood, Tariq; Ayub, Khurshid

    2017-12-01

    Benchmark study has been carried out to find a cost effective and accurate method for bond dissociation energy (BDE) of carbon halogen (Csbnd X) bond. BDE of C-X bond plays a vital role in chemical reactions, particularly for kinetic barrier and thermochemistry etc. The compounds (1-16, Fig. 1) with Csbnd X bond used for current benchmark study are important reactants in organic, inorganic and bioorganic chemistry. Experimental data of Csbnd X bond dissociation energy is compared with theoretical results. The statistical analysis tools such as root mean square deviation (RMSD), standard deviation (SD), Pearson's correlation (R) and mean absolute error (MAE) are used for comparison. Overall, thirty-one density functionals from eight different classes of density functional theory (DFT) along with Pople and Dunning basis sets are evaluated. Among different classes of DFT, the dispersion corrected range separated hybrid GGA class along with 6-31G(d), 6-311G(d), aug-cc-pVDZ and aug-cc-pVTZ basis sets performed best for bond dissociation energy calculation of C-X bond. ωB97XD show the best performance with less deviations (RMSD, SD), mean absolute error (MAE) and a significant Pearson's correlation (R) when compared to experimental data. ωB97XD along with Pople basis set 6-311g(d) has RMSD, SD, R and MAE of 3.14 kcal mol-1, 3.05 kcal mol-1, 0.97 and -1.07 kcal mol-1, respectively.

  11. Mechanical and Non-Destructive Study of CFRP Adhesive Bonds Subjected to Pre-Bond Thermal Treatment and De-Icing Fluid Contamination

    Directory of Open Access Journals (Sweden)

    Paweł H. Malinowski

    2018-04-01

    Full Text Available Composite materials are commonly used in many branches of industry. One of the effective methods to join the carbon fibre reinforced polymer (CFRP parts includes the use of adhesives. There is a search on effective methods for quality assurance of bonded parts. In the research here reported the influence of surface pre-bond modification on the adhesive bonds of CFRP plates has been analyzed. Adherends surface modifications, to include defects affecting the bonding quality, were obtained through surface thermal treatment, surface contamination with de-icing fluid and a combination of both the previously described treatments. Characterization of bonded joints was performed by means of mechanical testing, ultrasounds and electromechanical impedance (EMI measurements. The study here proposed has also the aim to evaluate the ability of different destructive and non-destructive techniques to assess the quality of the bonds. While mechanical tests were strongly affected by the surface modifications, results obtained ultrasound and EMI test have demonstrate only a limited ability of these techniques to differentiate between the different samples. In fact, ultrasounds did not show any changes in the bondline, due to pre-bond modifications. However, this technique was able to detect delamination in CFRP for one of the samples thermally treated at 280 °C. Electromechanical impedance (EMI measurements showed similar behavior as mechanical tests for samples thermally treated at 260 °C and 280 °C, and for the sample whose surface modification was made with a combination of thermally and de-icing fluid treatments.

  12. Experimental Study on Bond Behavior of FRP-Concrete Interface in Hygrothermal Environment

    Directory of Open Access Journals (Sweden)

    X. H. Zheng

    2016-01-01

    Full Text Available As the technique of fiber-reinforced polymer (FRP composite material strengthened reinforced concrete structures is widely used in the field of civil engineering, durability of the strengthened structures has attracted more attention in recent years. Hygrothermal environment has an adverse effect on the bond behavior of the interface between FRP and concrete. This paper focuses on the bond durability of carbon fiber laminate- (CFL- concrete interface in hygrothermal condition which simulates the climate characteristic in South China. Twenty 100 mm × 100 mm × 720 mm specimens were divided into 6 groups based on different temperature and humidity. After pretreatment in hygrothermal environment, the specimens were tested using double shear method. Strain gauges bonded along the CFL surface and linear variation displacement transducers (LVDTs were used to measure longitudinal strains and slip of the interface. Failure mode, ultimate capacity, load-deflection relationship, and relative slip were analyzed. The bond behavior of FRP-concrete interface under hygrothermal environment was studied. Results show that the ultimate bearing capacity of the interface reduced after exposure to hygrothermal environments. The decreasing ranges were up to 27.9% after exposure at high temperature and humidity (60°C, 95% RH. The maximum strains (εmax of the specimens pretreated decreased obviously which indicated decay of the bond behavior after exposure to the hygrothermal environment.

  13. A DFT study of cyclopropane adsorption on Pt(1 1 1). Electronic structure and bonding

    International Nuclear Information System (INIS)

    Germán, E.; López-Corral, I.; Pirillo, S.; Juan, A.; Brizuela, G.

    2014-01-01

    We have studied the adsorption of cyclopropane (c-C 3 H 6 ) on Pt(1 1 1) by means of the density functional theory (DFT). We have investigated the preferential adsorption geometry, considering different adsorption sites and bonding configurations for the molecular adsorbate. We have also computed the electronic structure and bonding interactions by means of density of states (DOS), crystal orbital overlap population (OPDOS), and overlap population (OP) analysis. Our results show a small preference for Bridge and Top adsorption sites with the cyclopropane ring parallel to the surface. Pt-C equilibrium distance is ∼3.5 Å and a weak bond is formed during adsorption. The main bonding interaction comes from the Pt-H overlap population. Pt 5p z orbitals play an important role in the bonding between c-C 3 H 6 and the surface. We have found that Van der Waals (vdW) corrections to the energies improve the adsorption values without changing the preferential site geometries.

  14. Communication: A hydrogen-bonded difluorocarbene complex: Ab initio and matrix isolation study

    Science.gov (United States)

    Sosulin, Ilya S.; Shiryaeva, Ekaterina S.; Tyurin, Daniil A.; Feldman, Vladimir I.

    2017-10-01

    Structure and spectroscopic features of the CF2⋯HF complexes were studied by ab initio calculations at the CCSD(T) level and matrix isolation FTIR spectroscopy. The calculations predict three stable structures. The most energetically favorable structure corresponds to hydrogen bonding of HF to the lone pair of the C atom (the interaction energy of 3.58 kcal/mol), whereas two less stable structures are the H⋯F bonded complexes (the interaction energies of 0.30 and 0.24 kcal/mol). The former species was unambiguously characterized by the absorptions in the FTIR spectra observed after X-ray irradiation of fluoroform in a xenon matrix at 5 K. The corresponding features appear at 3471 (H-F stretching), 1270 (C-F symmetric stretching, shoulder), 1175 (antisymmetric C-F stretching), and 630 (libration) cm-1, in agreement with the computational predictions. To our knowledge, it is the first hydrogen-bonded complex of dihalocarbene. Possible weaker manifestations of the H⋯F bonded complexes were also found in the C-F stretching region; however, their assignment is tentative. The H⋯C bonded complex is protected from reaction yielding a fluoroform molecule by a remarkably high energy barrier (23.85 kcal/mol), so it may be involved in various chemical reactions.

  15. Manufacturing study of Be, W and CFC bonded structures for plasma-facing components

    International Nuclear Information System (INIS)

    Onozuka, M.; Hirai, S.; Kikuchi, K.; Oda, Y.; Shimizu, K.

    2004-01-01

    A manufacturing study has been conducted for Be, W, and CFC bonded structures employed in plasma-facing components for the ITER. For Be tiles bonded to the Cu-Cr-Zr alloy heat sink with stainless-steel cooling pipes, a one-axis hot press with two heating processes has been used to bond the three materials. An Al-Si base interlayer has been used to bond Be to the Cu-alloy. The heating processes have been selected to match the required heat treatment conditions for the Cu-alloy. Because of the limited heat processes using a conventional hot press, the manufacturing cost can be minimized. For both the W and CFC tiles, the materials have been brazed at the same time to the Cu-alloy. Ni-Cu-Mn and Cu-Ti brazing materials have been used for the W and CFC tiles, respectively. Using the above bonding techniques, partial mockups of a blanket first-wall panel and divertor target have been successfully manufactured

  16. Antibacterial Activity of Commercial Dentine Bonding Systems against E. faecalis–Flow Cytometry Study

    Directory of Open Access Journals (Sweden)

    Monika Lukomska-Szymanska

    2017-04-01

    Full Text Available Literature presents inconsistent results on the antibacterial activity of dentine bonding systems (DBS. Antibacterial activity of adhesive systems depends on several factors, including composition and acidity. Flow cytometry is a novel detection method to measure multiple characteristics of a single cell: total cell number, structural (size, shape, and functional parameters (viability, cell cycle. The LIVE/DEAD® BacLightTM bacterial viability assay was used to evaluate an antibacterial activity of DBS by assessing physical membrane disruption of bacteria mediated by DBS. Ten commercial DBSs: four total-etching (TE, four self-etching (SE and two selective enamel etching (SEE were tested. Both total-etching DBS ExciTE F and OptiBond Solo Plus showed comparatively low antibacterial activity against E. faecalis. The lowest activity of all tested TE systems showed Te-Econom Bond. Among SE DBS, G-ænial Bond (92.24% dead cells followed by Clearfil S3 Bond Plus (88.02% and Panavia F 2.0 ED Primer II (86.67% showed the highest antibacterial activity against E. faecalis, which was comparable to isopropranol (positive control. In the present study, self-etching DBS exhibited higher antimicrobial activity than tested total-etching adhesives against E. faecalis.

  17. Manufacturing study of Be, W and CFC bonded structures for plasma-facing components

    Science.gov (United States)

    Onozuka, M.; Hirai, S.; Kikuchi, K.; Oda, Y.; Shimizu, K.

    2004-08-01

    A manufacturing study has been conducted for Be, W, and CFC bonded structures employed in plasma-facing components for the ITER. For Be tiles bonded to the Cu-Cr-Zr alloy heat sink with stainless-steel cooling pipes, a one-axis hot press with two heating processes has been used to bond the three materials. An Al-Si base interlayer has been used to bond Be to the Cu-alloy. The heating processes have been selected to match the required heat treatment conditions for the Cu-alloy. Because of the limited heat processes using a conventional hot press, the manufacturing cost can be minimized. For both the W and CFC tiles, the materials have been brazed at the same time to the Cu-alloy. Ni-Cu-Mn and Cu-Ti brazing materials have been used for the W and CFC tiles, respectively. Using the above bonding techniques, partial mockups of a blanket first-wall panel and divertor target have been successfully manufactured.

  18. Ab Initio Study of the Dynamical Si–O Bond Breaking Event in α-Quartz

    International Nuclear Information System (INIS)

    Su Rui; Zhang Hong; Han Wei; Chen Jun

    2015-01-01

    The Si–O bond breaking event in the α-quartz at the first triplet (T_1) excitation state is studied by using ab initio molecular dynamics (AIMD) and nudged elastic band calculations. A meta-stable non-bridging oxygen hole center and E′ center (NBOHC-E′) is observed in the AIMD which consists of a broken Si–O bond with a Si–O distance of 2.54 Å. By disallowing the re-bonding of the Si and O atoms, another defect configuration (III-Si/V-Si) is obtained and validated to be stable at both ground and excitation states. The NBOHC-E′ is found to present on the minimal energy pathway of the initial to III-Si/V-Si transition, showing that the generating of the NBOHC-E′ is an important step of the excitation induced structure defect. The energy barriers to produce the NBOHC-E′ and III-Si/V-Si defects are calculated to be 1.19 and 1.28 eV, respectively. The electronic structures of the two defects are calculated by the self-consistent GW calculations and the results show a clear electron transition from the bonding orbital to the non-bonding orbital. (paper)

  19. Peer Bonds in Urban School Communities: An Exploratory Study

    Science.gov (United States)

    Leach, Nicole

    2018-01-01

    The literature identifies three main types of peer associations: cliques, crowds, and dyadic friendships. When schools create learning communities, an additional type of peer association may emerge that is not based on interactions but instead is based on membership in a shared community. The aim of this study is to qualitatively explore the…

  20. Role of the bond defect for structural transformations between crystalline and amorphous silicon: A molecular-dynamics study

    International Nuclear Information System (INIS)

    Stock, D. M.; Weber, B.; Gaertner, K.

    2000-01-01

    The relation between the bond defect, which is a topological defect, and structural transformations between crystalline and amorphous silicon, is studied by molecular-dynamics simulations. The investigation of 1-keV boron implantation into crystalline silicon proves that the bond defect can also be generated directly by collisional-induced bond switching in addition to its formation by incomplete recombination of primary defects. This supports the assumption that the bond defect may play an important role in the amorphization process of silicon by light ions. The analysis of the interface between (001) silicon and amorphous silicon shows that there are two typical defect configurations at the interface which result from two different orientations of the bond defect with respect to the interface. Thus the bond defect appears to be a characteristic structural feature of the interface. Moreover, annealing results indicate that the bond defect acts as a growth site for interface-mediated crystallization

  1. Estudo experimental dos efeitos da heparina de baixo peso molecular (Enoxaparina na formação de calo ósseo em fêmures de ratos The effects of low-molecular-weight heparin (Enoxaparin on bony callus formation in rats' femurs - an experimental study

    Directory of Open Access Journals (Sweden)

    Salim Mussi Filho

    2006-01-01

    Full Text Available O tromboembolismo venoso é uma complicação grave que pode ocorrer após fraturas. O tratamento anticoagulante mais utilizado é com a heparina de baixo peso molecular (HBPM. Existem estudos que mostram que essa droga pode interferir no metabolismo ósseo. Com o objetivo de avaliar a influência da HBPM no processo de formação de calo ósseo, realizamos um estudo experimental em ratos. A amostra constituiu-se de 22 ratos de linhagem Wistar, machos, que foram submetidos à fratura diafisária de seus fêmures direitos. Foram divididos em dois grupos de 11. No grupo controle, os animais recebiam soro fisiológico e no grupo de estudo, recebiam HBPM, enoxaparina, diariamente, por 28 dias. Após este período os ratos foram submetidos à eutanásia e os fêmures foram avaliados. No estudo macroscópico foi constatada consolidação em 11 animais (100% que não receberam enoxaparina, e, em dez animais (90,9% que receberam a droga em estudo. No estudo histológico foi constatada a formação de calo ósseo em todos os fêmures. Concluiu-se neste experimento que a enoxaparina não altera o processo de consolidação óssea em fêmures de ratos Wistar.Venous thromboembolism is a serious complication that may follow fractures. The most commonly used anticoagulant treatment is low-molecular-weight heparin (LMWH. There are some studies showing that this drug may interfere on bone metabolism. With the objective of evaluating the LMWH influence on the process of bony callus formation, we conducted an experimental study on rats. Sample was constituted of 22 Wistar male rats, which were submitted to diaphyseal fracture on their right femurs. They were divided into two groups of 11 subjects each. In the control group, the animals received saline solution and in the study group, they received LMWH - enoxaparin - in a daily basis, during 28 days. After that period, the rats were submitted to euthanasia for femur assessment purposes. At the macroscopic study

  2. Combustion-related studies using weakly-bonded complexes

    Energy Technology Data Exchange (ETDEWEB)

    Beaudet, R.A. [Univ. of Southern California, Los Angeles (United States)

    1993-12-01

    Binary van der Waals complexes involving species of interest to combustion research are prepared in supersonic free-jet expansions, and their photochemical and photophysical properties are probed by using IR tunable diode laser (TDL) spectroscopy. In the first phase, geometries and other molecular properties are being determined from vibration-rotational spectra. In the second phase, these complexes will be used as precursors to study photoinitiated reactions in precursor geometry limited environments. Two complementary classes of binary complexes are being investigated. The first involves molecular oxygen and hydrogen containing constituents (e.g. O{sub 2}-HCN, O{sub 2}-HF, O{sub 2}-HCl, O{sub 2}-HBr, O{sub 2}-HI and O{sub 2}-hydrocarbons). These species are interesting candidates for study since upon photodissociating the hydride portion, the reaction H and O{sub 2} via the vibrationally excited HO{sub 2} intermediate can conceivably be studied, (e.g. BrH-O{sub 2} + hv(193 nm) {yields} Br-H-O{sub 2} {yields} Br + HO{sub 2} {yields} Br + OH + O). High resolution IR spectroscopy of such complexes have not been obtained previously and the structural information deriving from IR spectra is certainly very useful for better designing and understanding photoinitiated reactions that occur in these complexes.

  3. Preparation of fluorescence quenched libraries containing interchain disulphide bonds for studies of protein disulphide isomerases

    DEFF Research Database (Denmark)

    Spetzler, J C; Westphal, V; Winther, Jakob R.

    1998-01-01

    Protein disulphide isomerase is an enzyme that catalyses disulphide redox reactions in proteins. In this paper, fluorogenic and interchain disulphide bond containing peptide libraries and suitable substrates, useful in the study of protein disulphide isomerase, are described. In order to establish...... the quenching chromophore (Tyr(NO2)) and Cys(pNpys) activated for reaction with a second thiol. The formation and cleavage of the interchain disulphide bonds in the library were monitored under a fluorescence microscope. Substrates to investigate the properties of protein disulphide isomerase in solution were...

  4. Crystal structure, vibrational spectra and DFT studies of hydrogen bonded 1,2,4-triazolium hydrogenselenate

    Science.gov (United States)

    Arjunan, V.; Thirunarayanan, S.; Marchewka, M. K.; Mohan, S.

    2017-10-01

    The new hydrogen bonded molecular complex 1,2,4-triazolium hydrogenselenate (THS) is prepared by the reaction of 1H-1,2,4-triazole and selenic acid. This complex is stabilised by N-H⋯O and C-H⋯O hydrogen bonding and electrostatic attractive forces between 1H and 1,2,4-triazolium cations and hydrogen selenate anions. The XRD studies revealed that intermolecular proton transfer occur from selenic acid to 1H-1,2,4-triazole molecule, results in the formation of 1,2,4-triazolium hydrogenselenate which contains 1,2,4-triazolium cations and hydrogenselenate anions. The molecular structure of THS crystal has also been optimised by using Density Functional Theory (DFT) using B3LYP/cc-pVTZ and B3LYP/6-311++G** methods in order to find the whole characteristics of the molecular complex. The theoretical structural parameters such as bond length, bond angle and dihedral angle determined by DFT methods are well agreed with the XRD parameters. The atomic charges and thermodynamic properties are also calculated and analysed. The energies of frontier molecular orbitals HOMO, LUMO, HOMO-1, LUMO+1 and LUMO-HUMO energy gap are calculated to understand the kinetic stability and chemical reactivity of the molecular complex. The natural bond orbital analysis (NBO) has been performed in order to study the intramolecular bonding interactions and delocalisation of electrons. These intra molecular charge transfer may induce biological activities such as antimicrobials, antiinflammatory, antifungal etc. The complete vibrational assignments of THS have been performed by using FT-IR and FT-Raman spectra.

  5. Periodontal implication of bonded and removable retainers: A comparative study

    Directory of Open Access Journals (Sweden)

    Sonali Mondal

    2017-09-01

    Full Text Available The purpose of this study is to compare the periodontal health of the lower anterior teeth retained with the use of removable and fixed retainers. Fifty four cases receiving comprehensive orthodontic treatment in between 10 to 30 years were randomly selected and divided into 2 groups of 27 each. One group was given removable retainers and other was given fixed retainers. The periodontal status of the patients was accessed with bleeding on probing index, Plaque index and Calculus index. The mean plaque index in case of removable retainers at 1st, 3rd and 6th month were 0.5, 1.0 and 1.7 where as in case of fixed retainers that were 1.8, 3.0 and 4.5. The mean dental calculus index in case of removable retainers at 1st, 3rd and 6th month were 0.0, 0.1 and 0.1 where as in case of fixed retainers that were 0.1, 0.9 and 1.8. In conclusion, removable retainers are superior in oral hygiene maintenance, yet the use of fixed retainers cannot be denied.

  6. Radiology of Osteogenesis Imperfecta, Rickets and Other Bony Fragility States.

    Science.gov (United States)

    Calder, Alistair D

    2015-01-01

    This section gives an overview of radiological findings in bony fragility states, with a special focus on osteogenesis imperfecta (OI) and rickets. Conventional radiological assessment of bone density is inaccurate and imprecise and only reliably detects severe osteopaenia. However, other aspects of bone structure and morphology can be assessed, and it is possible to distinguish between osteopaenic and osteomalacic states. OI is a heterogeneous group of disorders of type 1 collagen formation and processing that are characterised by varying degrees of bony fragility, with presentations varying from perinatal lethality to asymptomatic. Radiological diagnosis of severe forms is usually straightforward, but that of milder disease may be challenging because specific features are often absent. However, a multidisciplinary approach is usually successful. Features of OI, including Wormian bones, skull base deformities, vertebral involvement and long bone fractures and deformities, are reviewed in this section. Rickets is best defined as a disorder of the growth plate characterised by the impaired apoptosis of hypertrophied chondrocytes. Vitamin D deficiency is a common cause of rickets. The patho-anatomical basis of radiological findings in rickets is reviewed and illustrated. Rickets is frequently accompanied by hyperparathyroidism and osteomalacia. Rickets used to be classified as calciopaenic or phosphopaenic but is now referred to as parathyroid hormone or fibroblast growth factor 23 mediated, respectively [1]. The radiological features of the two forms are reviewed. © 2015 S. Karger AG, Basel.

  7. Allergenicity of bony and cartilaginous fish - molecular and immunological properties.

    Science.gov (United States)

    Stephen, J N; Sharp, M F; Ruethers, T; Taki, A; Campbell, D E; Lopata, A L

    2017-03-01

    Allergy to bony fish is common and probably increasing world-wide. The major heat-stable pan-fish allergen, parvalbumin (PV), has been identified and characterized for numerous fish species. In contrast, there are very few reports of allergic reactions to cartilaginous fish despite widespread consumption. The molecular basis for this seemingly low clinical cross-reactivity between these two fish groups has not been elucidated. PV consists of two distinct protein lineages, α and β. The α-lineage of this protein is predominant in muscle tissue of cartilaginous fish (Chondrichthyes), while β-PV is abundant in muscle tissue of bony fish (Osteichthyes). The low incidence of allergic reactions to ingested rays and sharks is likely due to the lack of molecular similarity, resulting in reduced immunological cross-reactivity between the two PV lineages. Structurally and physiologically, both protein lineages are very similar; however, the amino acid homology is very low with 47-54%. Furthermore, PV from ancient fish species such as the coelacanth demonstrates 62% sequence homology to leopard shark α-PV and 70% to carp β-PV. This indicates the extent of conservation of the PV isoforms lineages across millennia. This review highlights prevalence data on fish allergy and sensitization to fish, and details the molecular diversity of the two protein lineages of the major fish allergen PV among different fish groups, emphasizing the immunological and clinical differences in allergenicity. © 2017 John Wiley & Sons Ltd.

  8. Giant Atretic Occipital Lipoencephalocele in an Adult with Bony Outgrowth.

    Science.gov (United States)

    Nimkar, Kshama; Sood, Dinesh; Soni, Pawan; Chauhan, Narvir; Surya, Mukesh

    2016-01-01

    We present unique case of a giant extracranial atretic occipital lipoencephalocele in an adult patient with new bone formation within it which was not associated with any developmental malformation of brain. Resection of the lipoencephalocele was performed for esthetic reasons. 18 year old female patient presented to the surgery OPD with complains of a large mass in the occipital region present since birth. It was of size of a betel nut at the time of birth and gradually increased in size over a long period of time. It was painless and not associated with any other constitutional symptoms. On examination the rounded fluctuant mass was present in the midline in occipital region covered with alopecic skin with dimpling in the overlying skin. On MRI there was mass showing both T1 and T2 hyperintense signal area suggestive of fat component. Herniation of meninges and atretic brain parenchyma was also seen through a defect in the occipital bone in the midline. There was a Y shaped bony outgrowth seen arising from occipital bone into the mass which was quite unusual in association with an atretic lipoencephalocele. A large lipoencephalocele with bony outgrowth in an adult patient is a rare presentation of atreic occipital encephalocele.

  9. BWR Spent Nuclear Fuel Interfacial Bonding Efficiency Study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jiang, Hao [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-04-30

    The objective of this project is to perform a systematic study of spent nuclear fuel (SNF, also known as “used nuclear fuel” [UNF]) integrity under simulated transportation environments using the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) hot-cell testing technology developed at Oak Ridge National Laboratory (ORNL) in August 2013. Under Nuclear Regulatory Commission (NRC) sponsorship, ORNL completed four benchmark tests, four static tests, and twelve dynamic or cycle tests on H. B. Robinson (HBR) high burn-up (HBU) fuel. The clad of the HBR fuels was made of Zircaloy-4. Testing was continued in fiscal year (FY) 2014 using Department of Energy (DOE) funds. Additional CIRFT testing was conducted on three HBR rods; two specimens failed, and one specimen was tested to over 2.23 × 107 cycles without failing. The data analysis on all the HBR SNF rods demonstrated that it is necessary to characterize the fatigue life of the SNF rods in terms of (1) the curvature amplitude and (2) the maximum absolute of curvature extremes. The maximum extremes are significant because they signify the maximum tensile stress for the outer fiber of the bending rod. CIRFT testing has also addressed a large variation in hydrogen content on the HBR rods. While the load amplitude is the dominant factor that controls the fatigue life of bending rods, the hydrogen content also has an important effect on the lifetime attained at each load range tested. In FY 15, eleven SNF rod segments from the Limerick BWR were tested using the ORNL CIRFT equipment; one test under static conditions and ten tests under dynamic loading conditions. Under static unidirectional loading, a moment of 85 N·m was obtained at a maximum curvature of 4.0 m-1. The specimen did not show any sign of failure during three repeated loading cycles to a similar maximum curvature. Ten cyclic tests were conducted with amplitudes varying from 15.2 to 7.1 N·m. Failure was observed in nine of

  10. Evidence for resonant bonding in phase-change materials studied by IR spectroscopy

    Directory of Open Access Journals (Sweden)

    K. Shportko

    2017-04-01

    Full Text Available Phase-change materials (PCM attract attention due to their unique properties. This remarkable portfolio also makes them promising for applications in novel data storage devices. In this study, we discuss differences in the optical properties of PCM and non-PCM in the IR caused by presence or absence of resonant bonding.

  11. Survival of flexible, braided, bonded stainless steel lingual retainers : a historic cohort study

    NARCIS (Netherlands)

    Foek, D. J. Lie Sam; Ozcan, M.; Verkerke, G. J.; Sandham, John; Dijkstra, P. U.

    The objectives of this study were to retrospectively evaluate the clinical survival rate of flexible, braided, rectangular bonded stainless steel lingual retainers, and to investigate the influence of gender, age of the patient, and operator experience on survival after orthodontic treatment at the

  12. The Experience of Chinese Bereaved Persons: A Preliminary Study of Meaning Making and Continuing Bonds

    Science.gov (United States)

    Chan, Cecilia L. W.; Chow, Amy Y. M.; Ho, Samuel M. Y.; Tsui, Yenny K. Y.; Tin, Agnes F.; Koo, Brenda W. K.; Koo, Elaine W. K.

    2005-01-01

    This study explores the bereavement process of Chinese persons in Hong Kong, with the focus on how they make meaning of the death as well as how they maintain a bond with the deceased. A review of video- and audiotapes of 52 bereaved persons in bereavement counseling pointed to how these concepts are reflected in key themes that appeared…

  13. DNA Self-Assembly and Computation Studied with a Coarse-grained Dynamic Bonded Model

    DEFF Research Database (Denmark)

    Svaneborg, Carsten; Fellermann, Harold; Rasmussen, Steen

    2012-01-01

    We utilize a coarse-grained directional dynamic bonding DNA model [C. Svaneborg, Comp. Phys. Comm. (In Press DOI:10.1016/j.cpc.2012.03.005)] to study DNA self-assembly and DNA computation. In our DNA model, a single nucleotide is represented by a single interaction site, and complementary sites can...

  14. Empirical studies on the cross-section of corporate bond and stock markets

    NARCIS (Netherlands)

    van Zundert, Jeroen

    2018-01-01

    This dissertation contains five empirical studies on the efficiency of corporate bond and stock markets. In Chapter 2, the pricing of interest rate risk in the stock market is analyzed. Over the long run, 1927 to 2015, the price of bearing interest rate risk is positive as expected, but there is

  15. Comparative Anatomy of the Bony Labyrinth (Inner Ear) of Placental Mammals

    Science.gov (United States)

    Ekdale, Eric G.

    2013-01-01

    Background Variation is a naturally occurring phenomenon that is observable at all levels of morphology, from anatomical variations of DNA molecules to gross variations between whole organisms. The structure of the otic region is no exception. The present paper documents the broad morphological diversity exhibited by the inner ear region of placental mammals using digital endocasts constructed from high-resolution X-ray computed tomography (CT). Descriptions cover the major placental clades, and linear, angular, and volumetric dimensions are reported. Principal Findings The size of the labyrinth is correlated to the overall body mass of individuals, such that large bodied mammals have absolutely larger labyrinths. The ratio between the average arc radius of curvature of the three semicircular canals and body mass of aquatic species is substantially lower than the ratios of related terrestrial taxa, and the volume percentage of the vestibular apparatus of aquatic mammals tends to be less than that calculated for terrestrial species. Aspects of the bony labyrinth are phylogenetically informative, including vestibular reduction in Cetacea, a tall cochlear spiral in caviomorph rodents, a low position of the plane of the lateral semicircular canal compared to the posterior canal in Cetacea and Carnivora, and a low cochlear aspect ratio in Primatomorpha. Significance The morphological descriptions that are presented add a broad baseline of anatomy of the inner ear across many placental mammal clades, for many of which the structure of the bony labyrinth is largely unknown. The data included here complement the growing body of literature on the physiological and phylogenetic significance of bony labyrinth structures in mammals, and they serve as a source of data for future studies on the evolution and function of the vertebrate ear. PMID:23805251

  16. Exploring Determinant Factors of Bond Trading with Inventory Management Theory (Case Study of Indonesian Capital Market, January – March 2009

    Directory of Open Access Journals (Sweden)

    Imam Wahyudi

    2014-08-01

    Full Text Available This  paper  studies  trading  volume  of  206  recorded  and  publicly  traded  bonds  in  Indonesian Capital Market on January 4th - March 9th 2009 observed period. The data covers almost all trading data in the market and all brokers that exist. The microstructure data used in this study is a complete understanding for almost every phenomenons in the market, and thus could explain more about bond liquidity. We ind that some bonds are actively traded and most are rare. We also construct some determinant facto tests of bond trading volume, included  descriptive  statistic,  GLS,  and  other  formal  test.  We  ind  that  bonds  with  larger par value and more seasoned tend to have smaller trading volume. We also ind that private bonds are actively traded more than public bonds (both government institution and private institution  bond.  Interest  rate  risk  and  bond  price  volatility  are  positively  inluence  bond trading volume, but opposite for bond rating. We ind that bond with higher probability to default  have  smaller  trading  volume.  While  comparing  the  bond  volume  data  with  stock price data, we ind that the relationship in two markets is not linier as the convenient theory in inance said. ";} // -->activate javascript

  17. Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)(-) bonded system.

    Science.gov (United States)

    Pylaeva, Svetlana; Allolio, Christoph; Koeppe, Benjamin; Denisov, Gleb S; Limbach, Hans-Heinrich; Sebastiani, Daniel; Tolstoy, Peter M

    2015-02-14

    We present a joint experimental and quantum chemical study on the influence of solvent dynamics on the protonation equilibrium in a strongly hydrogen bonded phenol-acetate complex in CD2Cl2. Particular attention is given to the correlation of the proton position distribution with the internal conformation of the complex itself and with fluctuations of the aprotic solvent. Specifically, we have focused on a complex formed by 4-nitrophenol and tetraalkylammonium-acetate in CD2Cl2. Experimentally we have used combined low-temperature (1)H and (13)C NMR and UV-vis spectroscopy and showed that a very strong OHO hydrogen bond is formed with proton tautomerism (PhOH···(-)OAc and PhO(-)···HOAc forms, both strongly hydrogen bonded). Computationally, we have employed ab initio molecular dynamics (70 and 71 solvent molecules, with and without the presence of a counter-cation, respectively). We demonstrate that the relative motion of the counter-cation and the "free" carbonyl group of the acid plays the major role in the OHO bond geometry and causes proton "jumps", i.e. interconversion of PhOH···(-)OAc and PhO(-)···HOAc tautomers. Weak H-bonds between CH(CD) groups of the solvent and the oxygen atom of carbonyl stabilize the PhOH···(-)OAc type of structures. Breaking of CH···O bonds shifts the equilibrium towards PhO(-)···HOAc form.

  18. Studying Chemical Reactions, One Bond at a Time, with Single Molecule AFM Techniques

    Science.gov (United States)

    Fernandez, Julio M.

    2008-03-01

    The mechanisms by which mechanical forces regulate the kinetics of a chemical reaction are unknown. In my lecture I will demonstrate how we use single molecule force-clamp spectroscopy and protein engineering to study the effect of force on the kinetics of thiol/disulfide exchange. Reduction of disulfide bond via the thiol/disulfide exchange chemical reaction is crucial in regulating protein function and is of common occurrence in mechanically stressed proteins. While reduction is thought to proceed through a substitution nucleophilic bimolecular (SN2) reaction, the role of a mechanical force in modulating this chemical reaction is unknown. We apply a constant stretching force to single engineered disulfide bonds and measure their rate of reduction by dithiothreitol (DTT). We find that while the reduction rate is linearly dependent on the concentration of DTT, it is exponentially dependent on the applied force, increasing 10-fold over a 300 pN range. This result predicts that the disulfide bond lengthens by 0.34 å at the transition state of the thiol/disulfide exchange reaction. In addition to DTT, we also study the reduction of the engineered disulfide bond by the E. coli enzyme thioredoxin (Trx). Thioredoxins are enzymes that catalyze disulfide bond reduction in all organisms. As before, we apply a mechanical force in the range of 25-450 pN to the engineered disulfide bond substrate and monitor the reduction of these bonds by individual enzymes. In sharp contrast with the data obtained with DTT, we now observe two alternative forms of the catalytic reaction, the first requiring a reorientation of the substrate disulfide bond, causing a shortening of the substrate polypeptide by 0.76±0.07 å, and the second elongating the substrate disulfide bond by 0.21±0.01 å. These results support the view that the Trx active site regulates the geometry of the participating sulfur atoms, with sub-ångström precision, in order to achieve efficient catalysis. Single molecule

  19. Corrosion Study and Intermetallics Formation in Gold and Copper Wire Bonding in Microelectronics Packaging

    Directory of Open Access Journals (Sweden)

    Christopher Breach

    2013-07-01

    Full Text Available A comparison study on the reliability of gold (Au and copper (Cu wire bonding is conducted to determine their corrosion and oxidation behavior in different environmental conditions. The corrosion and oxidation behaviors of Au and Cu wire bonding are determined through soaking in sodium chloride (NaCl solution and high temperature storage (HTS at 175 °C, 200 °C and 225 °C. Galvanic corrosion is more intense in Cu wire bonding as compared to Au wire bonding in NaCl solution due to the minimal formation of intermetallics in the former. At all three HTS annealing temperatures, the rate of Cu-Al intermetallic formation is found to be three to five times slower than Au-Al intermetallics. The faster intermetallic growth rate and lower activation energy found in this work for both Au/Al and Cu/Al as compared to literature could be due to the thicker Al pad metallization which removed the rate-determining step in previous studies due to deficit in Al material.

  20. A study of the impact properties of adhesively-bonded aluminum alloy based on impact velocity

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Teng; Cheon, Seong Sik; Cho, Jae Ung [Kongju National University, Cheonan (Korea, Republic of); Kinloch, Anthony J.; Blackman, Bamber R. K.; Sanchez, F. S. Rodriguez [Imperial College London, London (United Kingdom); Bang, Hye Jin; Lee, Sang Kyo; Cho, Chong Du [Inha University, Seoul (Korea, Republic of)

    2015-02-15

    In this study, an experiment and a simulation were carried out on colliding an adhesively-bonded tapered double cantilever beam (TDCB) at the impact velocities of 5 m/s, 7.5 m/s and 12.5 m/s. The analysis method of the corrected beam theory (CBT) was used to obtain the rate of energy release in the bonded area according to the crack progression, and a simulation was performed to determine the maximum strain energy during the impact analysis as a means to examine the mechanical properties of aluminium alloy. The experimental data were found to be higher than the simulation data. This is deemed to explicable by the fact that the adhesive strength was maintained even after the specimen separated in the experiment. Crack progression occurred, irrespective of the impact velocity, and high strain energy occurred at the end of the bonded region, thereby causing the strain energy to increase in the final stages. Also, the maximum load applied on the pin and the maximum strain energy in the bonded area were shown increase at higher impact velocities. The results of the experiment and simulation performed in this study are expected to serve as important data in developing a safety design for composite materials that can help prevent the progression of cracks caused by impact.

  1. The structure of betaxolol studied by infrared spectroscopy and natural bond orbital theory.

    Science.gov (United States)

    Canotilho, João; Castro, Ricardo A E

    2010-08-01

    Betaxolol is a selective beta(1) receptor blocker used in the treatment of hypertension and glaucoma. A study of the betaxolol structure based on infrared spectroscopy and natural bond orbital (NBO) theory is the main aim of the present research. FTIR spectra of the solid betaxolol were recorded in the region from 4000 to 400cm(-1), in the temperature range between 25 and -170 degrees C. For spectral interpretation, spectrum of the deuterated betaxolol and the theoretical vibrational spectra of the conformer present in the solid obtained at the B3LYP/6-31G* level of theory, were used. Further insight into the structure was provided by natural bond orbital theory. NBO analysis of the conformer, before and after optimization, was carried out at the same level of theory referred above. Vibrational modes involved in hydrogen bond in the stretching and bending region were used in the estimation of the enthalpy using empirical correlations between enthalpy and the frequency shift that occurs as a result of the establishment of intermolecular hydrogen bonds. A detailed study of the structure of betaxolol and of its intermolecular interactions was obtained from the combination spectroscopy and NBO theory. Copyright 2010 Elsevier B.V. All rights reserved.

  2. Palaeobiology of Hyaenodon exiguus (Hyaenodonta, Mammalia) based on morphometric analysis of the bony labyrinth.

    Science.gov (United States)

    Pfaff, Cathrin; Nagel, Doris; Gunnell, Gregg; Weber, Gerhard W; Kriwet, Jürgen; Morlo, Michael; Bastl, Katharina

    2017-02-01

    Species of the extinct genus Hyaenodon were among the largest carnivorous mammals from the Late Eocene through Early Miocene in North America, Europe and Asia. The origin, phylogeny and palaeobiology of Hyaenodonta are still ambiguous. Most previous studies focused on teeth and dental function in these highly adapted species, which might be influenced by convergent morphologies. The anatomy of the bony labyrinth in vertebrates is generally quite conservative and, additionally, was used in functional-morphological studies. This study provides the first anatomical description of the bony labyrinth of the extinct European species Hyaenodon exiguus in comparison to selected extant carnivoran taxa discussed from a functional-morphological perspective. Hyaenodon exiguus may have occupied a hyaena-like dietary niche with a semi-arboreal lifestyle, based on the relative height, width and length of the semicircular canals of the inner ear. However, this contradicts previous functional-morphological studies focusing on the diameter of the canals, which presumably represent the signal of locomotion mode. © 2016 Anatomical Society.

  3. Effect of salivary contamination on shear bond strength of two adhesives: An in vitro study

    Directory of Open Access Journals (Sweden)

    Shruti B Patil

    2014-01-01

    Full Text Available Introduction: Composite material used with bonding system are technique sensitive and contamination of an etched surface by saliva or blood plays a key role in bonding efficacy. Achieving good moisture control is a common problem encountered and is of importance while treating a pediatric age group since rubber dam in dental office is commonly applied in fewer than 10% of restorative treatment. Despite the advantage of rubber dam application, usage of rubber dam depends on child′s behavior and its level of co-operation for which pediatric dentists compromise with its usage. This study was conducted to evaluate the effect of salivary contamination of enamel and dentin on bond strength of two adhesives. Materials and Methods: An in vitro study comprised of test group of 112 central incisors divided into 4 groups for testing on enamel and dentin separately. These are Group I: Control group without salivary contamination; Group II: Contaminated with saliva and air-dried; Group III: Contaminated with saliva, rinsed and air-dried; Group IV: Coated with adhesive, light cured and then contaminated. Shear bond strength was calculated using universal testing machine. Results: For testing on enamel and dentin, significantly decreased bond strength was seen with Group II (P 0.05, when compared with control Group I. Conclusion: The decontamination method used in this study by rinsing the contaminated cured adhesive layer that did not reverse the harmful effect of salivary contamination. As most of the children are active and restless with swinging mood, it is important not to negotiate with the procedural steps during treatment.

  4. Evaluation of microtensile bond strength of total-etch, self-etch, and glass ionomer adhesive to human dentin: An in vitro study

    Directory of Open Access Journals (Sweden)

    Neelima Lakshmi

    2008-01-01

    Full Text Available Aim: To evaluate the microtensile bond strength of Single Bond, AdheSE, and Fuji Bond LC to human dentin. Fifteen non-carious third molars were selected for the study. The teeth were randomly divided into three groups of five teeth each. Each group was given a different bonding treatment. Group I was treated with Single Bond (3M, ESPE, group II with AdheSE (Ivoclar, Vivadent, and group III was treated with Fuji Bond LC (GC America. A T-band metal matrix was placed and composite resin bonded on to the tooth surface using appropriate bonding agents. The composite resin was packed in increments and light cured. Each tooth was sectioned to obtain 1 mm x 1 mm beams of dentin-resin samples. Tensile bond testing was done using a universal testing machine (Instron at a cross-head speed of 0.5 mm/min. Results: The mean bond strength of Single Bond (35.5 MPa was significantly higher than that of AdheSE (32.8 MPa and Fuji Bond LC (32.6 MPa. The difference between the microtensile bond strength values of AdheSE and Fuji Bond LC was statistically insignificant. Inference: Though the bond strength of AdheSE and Fuji Bond LC was above 30 MPa, it was less than that of Single Bond as evaluated by testing of microtensile bond strength.

  5. Selected ophthalmic diagnostic tests, bony orbit anatomy, and ocular histology in sambar deer (Rusa unicolor).

    Science.gov (United States)

    Oriá, Arianne P; Gomes Junior, Deusdete C; Oliveira, Alberto Vinícius D; Curvelo, Victor P; Estrela-Lima, Alessandra; Pinna, Melissa H; Meneses, Íris D S; Filho, Emanoel F M; Ofri, Ron

    2015-01-01

    The purpose of this study was to establish reference values for diagnostic ophthalmic tests in sambar deer (Rusa unicolor) as well as to describe the most relevant features of the bony orbital anatomy and ocular histology. Twenty healthy animals, free living in a forest reserve, that were captured for clinical evaluation as part of a health survey were evaluated. Schirmer tear test-1 (STT1), conjunctival microbiota, intraocular pressure (IOP), conjunctival cytology, anatomy of the bony orbit, and ocular histology were studied. Mean ± SD STT1 and IOP values were 18.8 ± 4.7 mm and 11.4 ± 2.8 mmHg, respectively. IOP was significantly higher in adult (4-8 years) animals (P = 0.04). Bacterial growth was present in 100% of the samples, with a prevalence for Staphylococcus sp. and Bacillus sp. The conjunctival cytology revealed predominance of columnar epithelial cells with mild pigmentation. The sambar deer orbit is completely encompassed by bone. The ocular histology was very similar to most mammalians. The findings in this study will be useful in the diagnosis of ocular diseases in Rusa unicolor. © 2014 American College of Veterinary Ophthalmologists.

  6. Effects of Hybrid Coat on shear bond strength of five cements: an in vitro study.

    Science.gov (United States)

    Guo, Yue; Zhou, Hou-De; Feng, Yun-Zhi

    2017-12-01

    To evaluate the sealing performance of Hybrid Coat and its influence on the shear bond strength of five dentin surface cements. Six premolars were pretreated to expose the dentin surface prior to the application of Hybrid Coat. The microscopic characteristics of the dentinal surfaces were examined with scanning electron microscopy (SEM). Then, 40 premolars were sectioned longitudinally, and 80 semi-sections were divided into a control group (untreated) and a study group (treated by Hybrid Coat). Alloy restoration was bonded to the teeth specimen using five different cements. Shear bond strength was measured by the universal testing machine. The fracture patterns and the adhesive interface were observed using astereomicroscope. SEM revealed that the lumens of dentinal tubules were completely occluded by Hybrid Coat. The Hybrid Coat significantly improved the shear bond strength of resin-modified glass ionomer cement (RMGIC) and resin cement (RC) but weakened the performance of zinc phosphate cement (ZPC), zinc polycarboxylate cement (ZPCC) and glass ionomer cement (GIC). Hybrid Coat is an effective dentinal tubule sealant, and therefore its combined use with resin or resin-modified glass ionomer cements can be applied for the prostheses attachment purpose.

  7. Parental bonding and suicidality in pregnant teenagers: a population-based study in southern Brazil.

    Science.gov (United States)

    Coelho, Fábio Monteiro da Cunha; Pinheiro, Ricardo Tavares; Silva, Ricardo Azevedo; de Ávila Quevedo, Luciana; de Mattos Souza, Luciano Dias; de Matos, Mariana Bonati; Castelli, Rochele Dias; Pinheiro, Karen Amaral Tavares

    2014-08-01

    To assess the associations of the perceived quality of parental bonding with suicidality in a sample of pregnant adolescents. A cross-sectional study with a sample size of 828 pregnant teenagers receiving prenatal medical assistance in the national public health system in the urban area of Pelotas, southern Brazil. Suicidality and psychiatric disorders were assessed using the Mini International Neuropsychiatric Interview (MINI), and the Parental Bonding Instrument (PBI) was employed to measure the perceived quality of parental bonding. A self-report questionnaire was used to collect sociodemographic, obstetric and other psychosocial data. Forty-three (4.94 %) teenagers from a consecutive sample of 871 refused to participate, resulting in 828 participants. Prevalence of suicidality was 13.3 %, lifetime suicide attempts were 7.4 % with 1.3 % reporting attempting suicide within the last month. Significant associations of suicidality with the 18-19-year-old subgroup, low education, prior abortion, physical abuse within the last 12 months were present, and most psychiatric disorders were associated with a higher suicidality prevalence. Additionally, after adjustment in the multivariate analysis, the style of parental bonding was independently associated with suicidality in the pregnant adolescent, with a PR of 2.53 (95 % CI 1.14-5.59) for the maternal 'affectionless control' and a PR of 2.91 (95 % CI 1.10-7.70) for the paternal 'neglectful parenting.' We found that maternal 'affectionless control' and paternal 'neglectful parenting' were independent predictors of suicidality in this sample of pregnant teenagers.

  8. Study of diffusion bonding in 6061 aluminum and development of future high-density fuels fabrication

    International Nuclear Information System (INIS)

    Prokofiev, I.G.; Wiencek, T.C.; McGann, D.J.

    1997-01-01

    Powder metallurgy dispersions of uranium alloys and silicides in an aluminum matrix have been developed by the RERTR program as a new generation of proliferation-resistant fuels. Testing uses fuel miniplates to simulate standard fuel with cladding and matrix in plate-type configurations. In order to seal the dispersion fuel plates, a diffusion bond must be established between the aluminum cover plates that surround the fuel meat. Four different variations of the standard method for roll-bonding 6061 aluminum were studied: mechanical cleaning, addition of a getter material, modifications to the standard chemical etching, and modifications to welding. Aluminum test pieces were subjected to a bend test after each rolling pass. Results, based on 400 samples, indicate that a reduction in thickness of at least 70% is required to produce a diffusion bond with the standard roll-bonding method, versus a 60% reduction when using a method in which the assembly was 100% welded and contained empty 9 mm holes near the frame corners. (author)

  9. Maternal bonding styles in smokers and non-smokers: a comparative study.

    Science.gov (United States)

    Csala, Iren; Elemery, Monika; Martinovszky, Fruzsina; Dome, Peter; Dome, Balazs; Faludi, Gabor; Sandor, Imola; Gyorffy, Zsuzsa; Birkas, Emma; Lazary, Judit

    2016-01-01

    Parental bonding has been implicated in smoking behavior, and the quality of maternal bonding (MB) has been associated with poor mental health and substance use. However, little is known about the association of MB and the smoking of the offspring. In our study, 129 smokers and 610 non-smoker medical students completed the parental bonding instrument, which measures MB along two dimensions: care and overprotection. Four categories can be created by high and low scores on care and overprotection: optimal parenting (OP; high care/low overprotection); affectionless control (ALC; low care/high overprotection); affectionate constraint (AC; high care/high overprotection), and neglectful parenting (NP; low care/low overprotection). Nicotine dependence was assessed by the Fagerstrom Nicotine Dependence Test, exhaled CO level, and daily cigarette consumption (CPD). Higher CPD was significantly associated with lower overprotection ( p  = 0.016) and higher care ( p  = 0.023) scores. The odds for being a smoker were significantly higher in the neglectful maternal bonding style compared to the other rearing styles ( p  = 0.022). Besides, smokers showed significantly higher care and lower overprotection scores with the Mann-Whitney U-test than non-smokers, although these associations did not remain significant in multiple regression models. Our results indicate that focusing on early life relationship between patient and mother can be important in psychotherapeutic interventions for smoking. Registration trials retrospectively registered.

  10. Hydrogen bonding interactions between ethylene glycol and water: density, excess molar volume, and spectral study

    Institute of Scientific and Technical Information of China (English)

    ZHANG JianBin; ZHANG PengYan; MA Kai; HAN Fang; CHEN GuoHua; WEI XiongHui

    2008-01-01

    Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures, The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume, which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×106 (volume ratio) in the gas phase. Meanwhile, FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration, respectively. Furthermore, the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

  11. [Differential study of the bonding characterization of dental porcelain to Ni-Cr alloys].

    Science.gov (United States)

    Wei, Fang; Zhan, De-song; Wang, Yan-yan

    2008-10-01

    To study the bonding capability when Ni-Cr porcelain alloy was added with Ti, compound rare earth metals and removed the element of Be. Ni-Cr-Ti porcelain alloys manufactured by Institute of Metal Research of Chinese Academy of Sciences were tested. The test alloys were divided into three groups according to whether containing Be and compound rare earth metals or not. And HI BOND Ni-Cr base-metal alloy was chosen as control. The metal-ceramic specimens were prepared for shear test, scanning electron microscope (SEM) and energy spectrum analysis. The shear bond strength of the four groups were analyzed. No significant difference were observed among them (P > 0.05). No crackle was found and they were contacted tightly between the porcelain and metal. The composition and contents of the four groups' interfaces were closed. The shear bond strength of the self-made Ni-Cr-Ti porcelain alloys all can satisfy the clinical requirements. Experimental groups containing Ti, compound rare earth metals and removing the element of Be can be used as better recommendation for clinical practice.

  12. A bonding study of c-C5H8 adsorption on Pt(111)

    International Nuclear Information System (INIS)

    Simonetti, S.; Jasen, P.; Gonzalez, E.; Juan, A.; Brizuela, G.

    2006-01-01

    The chemisorption of cyclopentane (c-C 5 H 8 ) on Pt(111) has been studied using a qualitative band-structure calculations in the framework of tight-binding implementation with the YAeHMOP package. We modeled the metal surface by a two-dimensional slab of finite thickness with an overlayer of c-C 5 H 8 , in a (3x3) di-σ geometry. The c-C 5 H 8 molecule is attached to the surface with its C?C atoms bonded mainly with two Pt atoms while the opposite CH 2 bends towards the surface. The Pt?Pt bonds in the underlying surface and the C?C bonds of c-C 5 H 8 are weakened upon the chemisorption. A noticeable Pt-H and Pt-C interactions has been observed. We found that of Pt 5d z 2 band plays an important role in the bonding between c-C 5 H 8 and the surface, as do the Pt 6s and 6p z bands. The HOMO-LUMO bands of c-C 5 H 8 are very dispersed, indicative of a strong interaction with the metal surface

  13. A Comparative Evaluation of the Effect of Bonding Agent on the Tensile Bond Strength of Two Pit and Fissure Sealants Using Invasive and Non-invasive Techniques: An in-vitro Study.

    Science.gov (United States)

    Singh, Shamsher; Adlakha, Vivek; Babaji, Prashant; Chandna, Preetika; Thomas, Abi M; Chopra, Saroj

    2013-10-01

    Newer technologies and the development of pit and fissure sealants have shifted the treatment philosophy from 'drill and fill' to that of 'seal and heal'. The purpose of this in-vitro study was to evaluate the effects of bonding agents on the tensile bond strengths of two pit and fissure sealants by using invasive and non-invasive techniques. One hundred and twenty bicuspids were collected and teeth were divided into two groups: Group-I (Clinpro) and Group-II (Conseal f) with 60 teeth in each group. For evaluating tensile bond strengths, occlusal surfaces of all the teeth were flattened by reducing buccal and lingual cusps without disturbing fissures. Standardised polyvinyl tube was bonded to occlusal surfaces with respective materials. Sealants were applied, with or without bonding agents, in increments and they were light cured. Tensile bond strengths were determined by using Universal Testing Machine. Data were then statistically analysed by using Student t-test for comparison. A statistically significant difference was found in tensile bond strength in invasive with bonding agent group than in non-invasive with bonding agent group. This study revealed that invasive techniques increase the tensile bond strengths of sealants as compared to non- invasive techniques and that the use of a bonding agent as an intermediate layer between the tooth and fissure sealant is beneficial for increasing the bond strength.

  14. A theoretical study of molecular structure, optical properties and bond activation of energetic compound FOX-7 under intense electric fields

    Science.gov (United States)

    Tao, Zhiqiang; Wang, Xin; Wei, Yuan; Lv, Li; Wu, Deyin; Yang, Mingli

    2017-02-01

    Molecular structure, vibrational and electronic absorption spectra, chemical reactivity of energetic compound FOX-7, one of the most widely used explosives, were studied computationally in presence of an electrostatic field of 0.01-0.05 a.u. The Csbnd N bond, which usually triggers the decomposition of FOX-7, is shortened/elongated under a parallel/antiparallel field. The Csbnd N bond activation energy varies with the external electric field, decreasing remarkably with the field strength in regardless of the field direction. This is attributed to two aspects: the bond weakening by the field parallel to the Csbnd N bond and the stabilization effect on the transition-state structure by the field antiparallel to the bond. The variations in the structure and property of FOX-7 under the electric fields were further analyzed with its distributional polarizability, which is dependent on the charge transfer characteristics through the Csbnd N bond.

  15. Evolution of the bonding mechanism of ZnO under isotropic compression: A first-principles study

    International Nuclear Information System (INIS)

    Zhou, G.C.; Sun, L.Z.; Wang, J.B.; Zhong, X.L.; Zhou, Y.C.

    2008-01-01

    The electronic structure and the bonding mechanism of ZnO under isotropic pressure have been studied by using the full-potential linear augmented plane wave (FP-LAPW) method within the density-functional theory (DFT) based on LDA+U exchange correlation (EXC) potential. We used the theory of Atoms in Molecules (AIM) method to analyze the change of the charge transfer and the bonding strength under isotropic pressure. The results of the theoretical analysis show that charge transfer between Zn and O atomic basins nearly linearly increases with the increasing pressure. Charge density along the Zn-O bond increases under the high pressure. The bonding strength and the ionicity of Zn-O bond also increase with the increasing pressure. The linear evolution process of the bonding mechanism under isotropic pressure was shown clearly in the present paper

  16. Bone bonding at natural and biomaterial surfaces.

    Science.gov (United States)

    Davies, John E

    2007-12-01

    Bone bonding is occurring in each of us and all other terrestrial vertebrates throughout life at bony remodeling sites. The surface created by the bone-resorbing osteoclast provides a three-dimensionally complex surface with which the cement line, the first matrix elaborated during de novo bone formation, interdigitates and is interlocked. The structure and composition of this interfacial bony matrix has been conserved during evolution across species; and we have known for over a decade that this interfacial matrix can be recapitulated at a biomaterial surface implanted in bone, given appropriate healing conditions. No evidence has emerged to suggest that bone bonding to artificial materials is any different from this natural biological process. Given this understanding it is now possible to explain why bone-bonding biomaterials are not restricted to the calcium-phosphate-based bioactive materials as was once thought. Indeed, in the absence of surface porosity, calcium phosphate biomaterials are not bone bonding. On the contrary, non-bonding materials can be rendered bone bonding by modifying their surface topography. This paper argues that the driving force for bone bonding is bone formation by contact osteogenesis, but that this has to occur on a sufficiently stable recipient surface which has micron-scale surface topography with undercuts in the sub-micron scale-range.

  17. Inverted 'V' osteotomy excision arthroplasty for bony ankylosed elbows

    Directory of Open Access Journals (Sweden)

    Rex Chadrabose

    2011-12-01

    Full Text Available Abstract Background Bony ankylosis of elbow is challenging and difficult problem to treat. The options are excision arthroplasty and total elbow replacement. We report our midterm results on nine patients, who underwent inverted 'V' osteotomy excision arthroplasty in our hospital with good functional results. Materials Our case series includes 9 patients (seven males and two females with the mean age of 34 years (13-56 years. Five patients had trauma, two had pyogenic arthritis, one had tuberculous arthritis, and one had pyogenic arthritis following surgical fixation. Results The average duration of follow up is 65 months (45 months-80 months. The mean Mayo's elbow performance score (MEPS preoperatively was 48 (35-70. The MEPS at final follow up was 80 (60-95. With no movement at elbow and fixed in various degrees of either flexion or extension preoperatively, the mean preoperative position of elbow was 64°(30°to 100°. The mean post operative range of motion at final follow up was 27°of extension (20-500, 116°of flexion (1100-1300, and the arc of motion was 88°(800-1000. One patient had ulnar nerve neuropraxia and another patient developed median nerve neuropraxia, and both recovered completely in six weeks. No patient had symptomatic instability of the elbow. All patients were asymptomatic except one patient, who had pain mainly on heavy activities. Conclusion We conclude that inverted 'V' osteotomy excision arthroplasty is a viable option in the treatment of bony ankylosis of the elbow in young patients.

  18. Core-level photoabsorption study of defects and metastable bonding configurations in boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez, I.; Jankowski, A.F.; Terminello, L.J. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    Boron nitride is an interesting material for technological applications and for fundamental solid state physics investigations. It is a compound isoelectronic with carbon and, like carbon can possess sp{sup 2} and sp{sup 3} bonded phases resembling graphite and diamond. BN crystallizes in the sp{sup 2}-bonded hexagonal (h-BN), rhombohedral (r-BN) and turbostratic phases, and in the sp{sup 3}-bonded cubic (c-BN) and wurtzite (w-BN) phases. A new family of materials is obtained when replacing C-C pairs in graphite with isoelectronic B-N pairs, resulting in C{sub 2}BN compounds. Regarding other boron compounds, BN is exceptional in the sense that it has standard two-center bonds with conventional coordination numbers, while other boron compounds (e.g. B{sub 4}C) are based on the boron icosahedron unit with three-center bonds and high coordination numbers. The existence of several allotropic forms and fullerene-like structures for BN suggests a rich variety of local bonding and poses the questions of how this affects the local electronic structure and how the material accommodates the stress induced in the transition regions between different phases. One would expect point defects to play a crucial role in stress accommodation, but these must also have a strong influence in the electronic structure, since the B-N bond is polar and a point defect will thus be a charged structure. The study of point defects in relationship to the electronic structure is of fundamental interest in these materials. Recently, the authors have shown that Near-Edge X-ray Absorption Fine Structure (NEXAFS) is sensitive to point defects in h-BN, and to the formation of metastable phases even in amorphous materials. This is significant since other phase identification techniques like vibrational spectroscopies or x-ray diffraction yield ambiguous results for nanocrystalline and amorphous samples. Serendipitously, NEXAFS also combines chemical selectivity with point defect sensitivity.

  19. An Ab Initio MP2 Study of HCN-HX Hydrogen Bonded Complexes

    Directory of Open Access Journals (Sweden)

    Araújo Regiane C.M.U.

    1998-01-01

    Full Text Available An ab initio MP2/6-311++G** study has been performed to obtain geometries, binding energies and vibrational properties of HCN-HX H-bonded complexes with X = F, Cl, NC, CN and CCH. These MP2/6-311++G** results have revealed that: (i the calculated H-bond lengths are in very good agreement with the experimental ones; (ii the H-bond strength is associated with the intermolecular charge transfer and follows the order: HCN-HNC ~ HCN-HF > HCN-HCl ~ HCN-HCN > HCN-HCCH; (iii BSSE correction introduces an average reduction of 2.4 kJ/mol on the MP2/6-311++G** binding energies, i.e. 11% of the uncorrected binding energy; (iv the calculated zero-point energies reduce the stability of these complexes and show a good agreement with the available experimental values; (v the H-X stretching frequency is shifted downward upon H-bond formation. This displacement is associated with the H-bond length; (vi The more pronounced effect on the infrared intensities occurs with the H-X stretching intensity. It is much enhanced after complexation due to the charge-flux term; (vii the calculated intermolecular stretching frequencies are in very good agreement with the experimental ones; and, finally, (viii the results obtained for the HCN-HX complexes follow the same profile as those found for the acetylene-HX series but, in the latter case, the effects on the properties of the free molecules due to complexation are less pronounced than those in HCN-HX.

  20. Theoretical study of hydrogen bond interactions of fluvastatin with ι-carrageenan and λ-carrageenan.

    Science.gov (United States)

    Papadopoulos, Anastasios G; Sigalas, Michael P

    2011-07-01

    The binding of the reductase inhibitor drug fluvastatin, hydroxy-3-methylglutaryl coenzyme A, with the hydrophilic ι- or λ-carrageenan polymers, serving as potential controllers of the drug's release rate, have been studied at the density functional level of theory with the B3LYP exchange correlation functional. Three low energy conformers of fluvastatin have been calculated. The vibrational spectroscopic properties calculated for the most stable conformer were in satisfactory agreement with the experimental data. A series of hydrogen bonded complexes of the most stable conformer of fluvastatin anion with low molecular weight models of the polymers have been fully optimized. In almost all, intermolecular H-bonds are formed between the sulfate groups of ι- or λ-carrageenan and fluvastatin's hydroxyls, resulting in a red shift of the fluvastatin's O - H stretching vibrations. Cooperative intramolecular H-bonds within fluvastatin or ι-, λ-carrageenan are also present. The BSSE and ZPE corrected interaction energies were estimated in the range 281-318 kJ mol⁻¹ for ι-carrageenan - fluvastatin and 145-200 kJ mol⁻¹ for λ-carrageenan - fluvastatin complexes. The electron density (ρ (bcp)) and Laplacian (∇²ρ (bcp)) properties at critical points of the intermolecular hydrogen bonds, estimated by AIM (atoms in molecules) calculations, have a low and positive character (∇²ρ(bcp) > 0), consistent with the electrostatic character of the hydrogen bonds. The structural and energetic data observed, as well as the extent of the red shift of the fluvastatin's O - H stretching vibrations upon complex formation and the properties of electron density show a stronger binding of fluvastatin to ι- than to λ-carrageenan.

  1. A feasibility study on different NDT techniques used for testing bond quality in cold roll bonded Al-Sn alloy/steel bimetal strips

    Directory of Open Access Journals (Sweden)

    Tallafuss Philipp Johannes

    2017-01-01

    Full Text Available This paper presents non-destructive testing (NDT results for the detection of bond defects in aluminium-tin (Al-Sn alloy/steel bimetal strips. Among all types of bimetal strip that are used in the automotive industry for plain journal engine bearings, Al-Sn alloys cold roll bonded (CRB onto steel backing is the most common type. The difficulty to evaluate the metallurgical bond between the two dissimilar metals is a major industrial concern, which comprises the risk that bearings fail in the field. Considering the harsh performance requirements, 100% online non-destructive testing would be desirable to significantly reduce the business risk. Nowadays bimetal strip manufacturers still rely on destructive testing through different peel-off tests. This work offers the results from four independent NDT studies, using active thermography, shearography, ultrasound and guided wave electromagnetic acoustic transducers (EMATs and samples with different artificially implanted defects, to explore the feasibility to qualitatively indicate the occurrence of bond defects. A destructive peel off test was used to correlate the NDT results with known bond quality. The studies were done under laboratory conditions, and in case of ultrasound also online under production conditions. During the ultrasound online test, the requirements that a NDT technique has to fulfil for online inspection of Al-Sn alloy/steel bimetal strip were established. For active thermography, shearography and guided wave EMAT techniques, it was theoretically analysed, if the laboratory test results could be transferred to testing under production conditions. As a result, guided waves using EMATs, among the four tested methods, are best suited for online inspection of Al-Sn alloy/steel bimetal strip. This research was carried out in collaboration with MAHLE Engine Systems UK Ltd., an Al-Sn alloy/steel bimetal strip manufacturer for the automotive industry.

  2. Single-crystal neutron diffraction studies of hydrogen-bonded systems: Two recent examples from IPNS

    Energy Technology Data Exchange (ETDEWEB)

    Koetzle, Thomas F. [IPNS Division, Argonne National Laboratory, Argonne, IL 60439 (United States)], E-mail: tkoetzle@anl.gov; Piccoli, Paula M.B.; Schultz, Arthur J. [IPNS Division, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2009-02-21

    Beginning with work in the 1950s at the first generation of research reactors, studies of hydrogen-bonded systems have been a prime application for single-crystal neutron diffraction. The range of systems studied was extended in the 1960s and 1970s, with the advent of high flux reactor sources, and beginning around 1980 studies at pulsed neutron sources have made increasingly important contributions. Recently at the Argonne Intense Pulsed Neutron Source (IPNS), working with collaborators, we completed two studies of hydrogen-bonded systems that will serve to illustrate topics of current interest. In the first study, on andrographolide, an active diterpenoid natural product, our neutron diffraction results definitively characterize the hydrogen-bonding interactions. The second IPNS study is on tetraacetylethane (TAE), a {beta}-diketone enol system with a very short, strong intramolecular O-H...O hydrogen bond. At IPNS, we have determined the neutron crystal structure of TAE at five temperatures between 20 and 298 K to investigate changes in the structure with temperature and to probe for disorder. Despite the successes illustrated by the two examples presented here and by many other studies, at present applications of single-crystal neutron diffraction continue to be extremely flux limited and constrained by the requirement for mm-size crystals for many problems. These limitations are being addressed through the realization of powerful instruments at a new generation of pulsed neutron sources, including in the USA the TOPAZ and MaNDi single-crystal diffractometers that are under development at the Spallation Neutron Source (SNS)

  3. Single-crystal neutron diffraction studies of hydrogen-bonded systems: Two recent examples from IPNS

    Science.gov (United States)

    Koetzle, Thomas F.; Piccoli, Paula M. B.; Schultz, Arthur J.

    2009-02-01

    Beginning with work in the 1950s at the first generation of research reactors, studies of hydrogen-bonded systems have been a prime application for single-crystal neutron diffraction. The range of systems studied was extended in the 1960s and 1970s, with the advent of high flux reactor sources, and beginning around 1980 studies at pulsed neutron sources have made increasingly important contributions. Recently at the Argonne Intense Pulsed Neutron Source (IPNS), working with collaborators, we completed two studies of hydrogen-bonded systems that will serve to illustrate topics of current interest. In the first study, on andrographolide, an active diterpenoid natural product, our neutron diffraction results definitively characterize the hydrogen-bonding interactions. The second IPNS study is on tetraacetylethane (TAE), a β-diketone enol system with a very short, strong intramolecular O-H⋯O hydrogen bond. At IPNS, we have determined the neutron crystal structure of TAE at five temperatures between 20 and 298 K to investigate changes in the structure with temperature and to probe for disorder. Despite the successes illustrated by the two examples presented here and by many other studies, at present applications of single-crystal neutron diffraction continue to be extremely flux limited and constrained by the requirement for mm-size crystals for many problems. These limitations are being addressed through the realization of powerful instruments at a new generation of pulsed neutron sources, including in the USA the TOPAZ and MaNDi single-crystal diffractometers that are under development at the Spallation Neutron Source (SNS).

  4. Single-crystal neutron diffraction studies of hydrogen-bonded systems: Two recent examples from IPNS

    International Nuclear Information System (INIS)

    Koetzle, Thomas F.; Piccoli, Paula M.B.; Schultz, Arthur J.

    2009-01-01

    Beginning with work in the 1950s at the first generation of research reactors, studies of hydrogen-bonded systems have been a prime application for single-crystal neutron diffraction. The range of systems studied was extended in the 1960s and 1970s, with the advent of high flux reactor sources, and beginning around 1980 studies at pulsed neutron sources have made increasingly important contributions. Recently at the Argonne Intense Pulsed Neutron Source (IPNS), working with collaborators, we completed two studies of hydrogen-bonded systems that will serve to illustrate topics of current interest. In the first study, on andrographolide, an active diterpenoid natural product, our neutron diffraction results definitively characterize the hydrogen-bonding interactions. The second IPNS study is on tetraacetylethane (TAE), a β-diketone enol system with a very short, strong intramolecular O-H...O hydrogen bond. At IPNS, we have determined the neutron crystal structure of TAE at five temperatures between 20 and 298 K to investigate changes in the structure with temperature and to probe for disorder. Despite the successes illustrated by the two examples presented here and by many other studies, at present applications of single-crystal neutron diffraction continue to be extremely flux limited and constrained by the requirement for mm-size crystals for many problems. These limitations are being addressed through the realization of powerful instruments at a new generation of pulsed neutron sources, including in the USA the TOPAZ and MaNDi single-crystal diffractometers that are under development at the Spallation Neutron Source (SNS).

  5. Bony manifestation of rickets in a sunny city - a case report from Yazd, Iran

    Directory of Open Access Journals (Sweden)

    Mohammadhosain Afrand

    2014-01-01

    Full Text Available Rickets is disease that occurs in growing bones in which defective mineralization occurs in both the bone and the cartilage of the epiphyseal growth plate, resulting in the retardation of growth and skeletal deformities. Rickets is more common in areas with less sunlight. However, this case report presents a case of the bony manifestation of rickets with the intake of vitamin D supplements in Yazd, a city in central Iran that has sunshine almost every day. A patient was referred to an out-patient general pediatric clinic for deformities of the legs and growth disturbance, with his height far below the normal range. The changes that were most evident in his X-rays were the bowing of the long bones of the legs and forearms and the cupping of the wrist metaphyseal region. In summary, we present a patient with bony manifestation of rickets despite living in a sunny area and taking vitamin D supplements. Thus, it is important to remember that rickets is still a common disease among children in Iran. More studies of this issue should be conducted, including the identification of abnormal cases and rescheduling vitamin D supplementation programs.

  6. Bony manifestation of rickets in a sunny city - a case report from Yazd, Iran

    Directory of Open Access Journals (Sweden)

    Mohammadhosain Afrand

    2014-02-01

    Full Text Available Rickets is disease that occurs in growing bones in which defective mineralization occurs in both the bone and the cartilage of the epiphyseal growth plate, resulting in the retardation of growth and skeletal deformities. Rickets is more common in areas with less sunlight. However, this case report presents a case of the bony manifestation of rickets with the intake of vitamin D supplements in Yazd, a city in central Iran that has sunshine almost every day. A patient was referred to an out-patient general pediatric clinic for deformities of the legs and growth disturbance, with his height far below the normal range. The changes that were most evident in his X-rays were the bowing of the long bones of the legs and forearms and the cupping of the wrist metaphyseal region. In summary, we present a patient with bony manifestation of rickets despite living in a sunny area and taking vitamin D supplements. Thus, it is important to remember that rickets is still a common disease among children in Iran. More studies of this issue should be conducted, including the identification of abnormal cases and rescheduling vitamin D supplementation programs

  7. Comparative evaluation of shear bond strength of zirconia restorations cleansed various cleansing protocols bonded with two different resin cements: An In vitro study

    Directory of Open Access Journals (Sweden)

    Sriram Sankar

    2017-01-01

    Full Text Available Context: Yttria partially stabilized tetragonal zirconia polycrystalline restorations have gained widespread use because of its enhanced strength and esthetics. During the try-in process, zirconia is likely to be contaminated with saliva. This contamination leads to a clear weakening of the bond between restorative material and cement. For this reason, zirconia surface should be cleaned before cementation. Hence, the purpose of this study is to compare the shear bond strength of zirconia restorations cleansed with various surface cleansing protocols bonded with two different resin cements. Materials and Methods: Eighty samples of zirconia discs were prepared in the dimensions 2.5 mm diameter and 4.5 mm thickness. They were divided into two groups of each forty samples based on luting cement used. Each group was further subdivided into four subgroups of each (n = 10: Group 1: uncontaminated zirconia blocks, Group 2: saliva-contaminated zirconia blocks and cleaned only with distilled water, Group 3: saliva-contaminated zirconia blocks treated with Ivoclean, and Group 4: saliva-contaminated zirconia blocks were air abraded. Eighty human maxillary premolars were then sectioned to expose dentin and were mounted on an acrylic block. A jig was fabricated to bond zirconia with the tooth using two self-adhesive resin cements. The samples were subjected to shear bond strength testing. The data were analyzed using one-way analysis of variance and Tukey's honest significance difference test with a level of significance set at p < 0.05. Results: The mean shear bond strength values of Group 1 and 2 - subgroup B are 10.3 ± 0.4 and 9.80 ± 0.7 (saliva-contaminated zirconia, cleansed with distilled water only, respectively, were lowest among all test subgroups and were significantly less than mean values of subgroup C, Group 1 - 20.45 ± 0.6 and Group 2 - 20.75 ± 0.4 (Ivoclean group and subgroup D, Group 1 - 20.90 ± 0.3 and Group 2 - 20.60 ± 0.5 (air

  8. Effect of various commercially available mouthrinses on shear bond strength of orthodontic metal brackets: an in vitro study.

    Science.gov (United States)

    Meeran, Nazeer Ahmed; George, Ashwin Mathew

    2013-01-01

    Alcohol is known to degrade and dissolve the bisphenol A glycidyl methacrylate present in the composite resin. The effect of alcohol containing mouthrinses on the shear bond strength of orthodontic metal brackets bonded with composite resin has not been verified until date and is the purpose of this study. The aims and objectives of the present study were to evaluate (1) Whether there is a significant difference in the shear bond strength of metal orthodontic brackets after the 1 year (12 h) and 2 years simulation (24 h) of mouth rinsing with 4 different commercially available mouthrinses (2 alcoholic and 2 alcohol-free mouthrinses) when compared to the control. (2) Whether alcohol containing mouthrinses have more adverse effect on the shear bond strength when compared with alcohol-free mouthrinses. (3) To assess the site of bond failure using adhesive remnant index. Experimental - laboratory based. A total of 100 upper premolars extracted for orthodontic purpose were collected immediately after extraction, cleared soft-tissue debris and blood and immediately stored in distilled water with 0.1% thymol crystals added to inhibit bacterial growth. Two alcohol containing mouthrinses and two alcohol-free mouthrinses were used and the bonded teeth were placed in the mouthrinses for a stipulated period of time (1 year simulation and 2 years simulation) and shear bond strength were tested using Lloyd Universal Testing Machine. The data were analyzed using analysis of variance and paired samples t-test. After the 1 year and 2 years simulation time, samples stored in alcohol containing mouthrinses showed lower bond strength (P orthodontic brackets bonded with composite resin (Transbond XT in the present study), more when compared with alcohol-free mouthrinses. It is, therefore, highly advisable to avoid alcohol containing mouthrinses in patients undergoing orthodontic treatment and use alcohol-free mouthrinses as adjuncts to regular oral hygiene procedures for maintaining

  9. Infrared study of the nature of the copper ion--alkyne bond in Y zeolite

    International Nuclear Information System (INIS)

    Pichat, P.

    1975-01-01

    The infrared spectra of acetylene, deuterated acetylene, propyne, and but-2-yne, chemisorbed in Cu, Na--Y zeolites, which have undergone various treatments, were studied. It is concluded that the OH groups interact only with the weakly absorbed molecules, the Cu + ions are not involved, the acetylenic hydrogen atoms do not take part in the bonding, the Cu 2+ ion--alkyne bone results mainly from π donation from the unsaturated hydrocarbon to the metallic ion. (auth)

  10. SHAREHOLDERS VALUE AND CATASTROPHE BONDS. AN EVENT STUDY ANALYSIS AT EUROPEAN LEVEL

    OpenAIRE

    Constantin, Laura-Gabriela; Cernat-Gruici, Bogdan; Lupu, Radu; Nadotti Loris, Lino Maria

    2015-01-01

    Considering that the E.U. based (re)insurance companies are increasingly active within the segment of alternative risk transfer market, the aim of the present paper is to emphasize the impact of issuing cat bonds on the shareholders’ value for highlighting the competitive advantages of the analysed (re)insurance companies while pursuing the consolidation of their resilience in a turbulent economic environment.Eminently an applicative research, the analysis employs an event study methodology w...

  11. Hydrogen bond nature of ferroelectric material studied by X-ray and neutron diffraction. Electric dipole moment and proton tunneling

    International Nuclear Information System (INIS)

    Noda, Yukio; Kiyanagi, Ryoji; Mochida, Tomoyuki; Sugawara, Tadashi

    2006-01-01

    Hydrogen bond nature of MeHPLN and BrHPLN is studied using x-ray and neutron diffraction technique. We found that electric dipole moment of hydrogen atom plays an important role for the phase transition, and proton tunneling model is confirmed on this isolated hydrogen bond system. (author)

  12. Raman and FTIR spectroscopic studies on two hydroxylated tung oils (HTO) bearing conjugated double bonds

    Science.gov (United States)

    Zhuang, Yuwei; Ren, Zhiyong; Jiang, Lei; Zhang, Jiaxiang; Wang, Huafen; Zhang, Guobao

    2018-06-01

    Tung oil (TO) was used as a model compound to study two hydroxylated tung oils (HTO), prepared from TO by either aminolysis (HTO-am) or alcoholysis (HTO-al). Main bands in Raman and FTIR spectra were initially assigned based on the detailed analysis of the compound spectra before and after exposure to elevated temperature (200 °C). The effect of heat treatment in air on spectral bands, and especially on the changes associated with double bonds, were then investigated. In the present work, changes in spectral bands due to heat treatment were compared with those revealed in the previous work of others. The results show that the conjugated triene structure of TO has been retained during alcoholysis and aminolysis, to yield the HTOs studied; yet the change of the triene structure caused by heating is different among the three samples; the H-bonding strength between OH and Cdbnd O in HTO-am is higher than that in HTO-al; the changes in HTO vOH and vCdbnd O bands in FTIR caused by the present heat treatment were significant; for TO, there is a big difference between changes in spectra as caused by thermal exposure, compared to those caused by ageing under UV light or exposure to a catalyst. The present work has laid additional groundwork for further study of the reactions of such triply conjugated double bond structures under different ageing conditions.

  13. Influence of rotational setup error on tumor shift in bony anatomy matching measured with pulmonary point registration in stereotactic body radiotherapy for early lung cancer

    International Nuclear Information System (INIS)

    Suzuki, Osamu; Nishiyama, Kinji; Ueda, Yoshihiro; Miyazaki, Masayoshi; Tsujii, Katsutomo

    2012-01-01

    The objective of this study was to examine the correlation between the patient rotational error measured with pulmonary point registration and tumor shift after bony anatomy matching in stereotactic body radiotherapy for lung cancer. Twenty-six patients with lung cancer who underwent stereotactic body radiotherapy were the subjects. On 104 cone-beam computed tomography measurements performed prior to radiation delivery, rotational setup errors were measured with point registration using pulmonary structures. Translational registration using bony anatomy matching was done and the three-dimensional vector of tumor displacement was measured retrospectively. Correlation among the three-dimensional vector and rotational error and vertebra-tumor distance was investigated quantitatively. The median and maximum rotational errors of the roll, pitch and yaw were 0.8, 0.9 and 0.5, and 6.0, 4.5 and 2.5, respectively. Bony anatomy matching resulted in a 0.2-1.6 cm three-dimensional vector of tumor shift. The shift became larger as the vertebra-tumor distance increased. Multiple regression analysis for the three-dimensional vector indicated that in the case of bony anatomy matching, tumor shifts of 5 and 10 mm were expected for vertebra-tumor distances of 4.46 and 14.1 cm, respectively. Using pulmonary point registration, it was found that the rotational setup error influences the tumor shift. Bony anatomy matching is not appropriate for hypofractionated stereotactic body radiotherapy with a tight margin. (author)

  14. Studies of Hydrogen Bonding Between N, N-Dimethylacetamide and Primary Alcohols

    Directory of Open Access Journals (Sweden)

    M. S. Manjunath

    2009-01-01

    Full Text Available Hydrogen bonding between N, N-dimethylacetamide (DMA and alcohols has been studied in carbon tetrachloride solution by an X-band Microwave bench at 936GHz. The dielectric relaxation time (τ of the binary system are obtained by both Higasi's method and Gopalakrishna method. The most likely association complex between alcohol and DMA is 1:1 stoichiometric complex through the hydroxyl group of the alcohol and the carbonyl group of amide. The results show that the interaction between alcohols and amides is 1:1 complex through the free hydroxyl group of the alcohol and the carbonyl group of amide and the alkyl chain-length of both the alcohols and amide plays an important role in the determination of the strength of hydrogen bond (O-H: C=O formed and suggests that the proton donating ability of alcohols is in the order: 1-propanol < 1-butanol < 1-pentanol and the accepting ability of DMA.

  15. Effect of organic molecules on hydrolysis of peptide bond: A DFT study

    International Nuclear Information System (INIS)

    Makshakova, Olga; Ermakova, Elena

    2013-01-01

    Highlights: ► DFT study of the effects of small organic molecules on the hydrolysis reactions of peptide bonds. ► Organic molecules can activate nonenzymatic hydrolysis reaction. ► Influence of organic acids on activation energy barrier correlates with their electronegativity. - Abstract: The activation and inhibition effects of small organic molecules on peptide hydrolysis have been studied using a model compound dialanine and DFT approach. Solvent-assisted and non-assisted concerted mechanisms were analyzed. Several transition states for the systems: alanine dipeptide–water molecule in complexes with alcohol molecules, acetonitrile, dimethylsulfoxide, propionic, lactic and pyruvic acids and water molecules were localized. The formation of hydrogen bonds between dipeptide, reactive water molecule and molecules of solvents influences the activation energy barrier of the peptide bond hydrolytic reaction. Strong effect of organic acids on the activation energy barrier correlates with their electronegativity. Acetonitrile can act as an inhibitor of reaction. Mechanisms of regulation of the activation energy barrier are discussed in the terms of donor-acceptor interactions

  16. Quantitative computed tomography as a test of endurance for evaluation of bony plates

    International Nuclear Information System (INIS)

    Melo Filho, E.V.; Costa, L.A.V.S.; Oliveira, D.C.; Freitas, P.M.C.; Teixeira, M.W.; Costa, F.S.

    2012-01-01

    Quantitative computed tomography was used to determine the radiodensity of bony plates. The CT scans provided information regarding radiodensity of bony plates and allowed to verify the uniformity of bone mineral density in their scope. The proposed methodology should be considered as another tool for determining the resistance of these biomaterials. (author)

  17. Chemical bonding in Tl cuprates studied by x-ray photoemission

    International Nuclear Information System (INIS)

    Vasquez, R.P.; Siegal, M.P.; Overmyer, D.L.; Ren, Z.F.; Lao, J.Y.; Wang, J.H.

    1999-01-01

    Epitaxial thin films of the Tl cuprate superconductors Tl 2 Ba 2 CaCu 2 O 8 , Tl 2 Ba 2 Ca 2 Cu 3 O 10 , and Tl 0.78 Bi 0.22 Ba 0.4 Sr 1.6 Ca 2 Cu 3 O 9-δ are studied with x-ray photoemission spectroscopy. These data, together with previous measurements in this lab of Tl 2 Ba 2 CuO 6+δ and TlBa 2 CaCu 2 O 7-δ , comprise a comprehensive data set for a comparative study of Tl cuprates with a range of chemical and electronic properties. In the Cu 2p spectra, a larger energy separation between the satellite and main peaks (E s -E m ) and a lower intensity ratio (I s /I m ) are found to correlate with higher values of T c . Analysis of these spectra within a simple configuration interaction model suggests that higher values of T c are related to low values of the O 2p→Cu 3d charge transfer energy. In the O 1s region, a smaller bond length between Ba and Cu-O planar oxygen is found to correlate with a lower binding energy for the signal associated with Cu-O bonding, most likely resulting from the increased polarization screening by Ba 2+ ions. For samples near optimum doping, maximum T c is observed to occur when the Tl 4f 7/2 binding energy is near 117.9 eV, which is near the middle of the range of values observed for Tl cuprates. Higher Tl 4f 7/2 binding energies, corresponding to formal oxidation states nearer Tl 1+ , are also found to correlate with longer bond lengths between Ba and Tl-O planar oxygen, and with higher binding energies of the O 1s signal associated with Tl-O bonding. copyright 1999 The American Physical Society

  18. Preliminary Study on Hot Isostatic Pressing Diffusion Bonding for CLAM Steel

    International Nuclear Information System (INIS)

    Chunjing Li; Qunying Huang; Yican Wu

    2006-01-01

    China Low Activation Martensitic (CLAM) steel is being developed in ASIPP (Institute of Plasma Physics, Chinese Academy of Sciences) since three years ago. CLAM is selected as the major candidate structure materials for the FDS series design of fusion reactors and for China liquid metal LiPb Test Blanket Module (TBM) for ITER i.e. DFLL-TBM, which are being carried out in ASIPP. Since the hot isostatic pressing (HIP) bonding technique is one of the main candidate bonding techniques for manufacturing of the first wall of a fusion reactor, research of the HIP technique on CLAM/CLAM is greatly needed. Preliminary HIP diffusion bonding experiments on CLAM steel have been performed. A few machining approaches such as dry-milling, turnery and grounding etc. were used to prepare the sample surfaces and then they were degreased with a mixture of alcohol, ether and acetone in an ultrasonic bath. The samples were joined by HIP diffusion bonding with the compression pressure of 150 MPa and the holding time of 2 ∼ 3 hours under different temperatures between 950 deg. and 1100 deg.. Different seal techniques of the capsules were studied as well. Then appropriate post heat treatment was done. Tests on mechanical properties of the joints such as tensile strength and impact toughness have been performed. The preliminary results show that the tensile properties are roughly the same as those of the base material. The absorbed energy of the joints at present is a little low and further research is needed to increase it. Microstructure of the joints was studied by optical microscope, SEM and TEM. Compositions of the defects on the joining line were analyzed by EDS. Through analysis of the results, optimized parameters for HIP are given. (author)

  19. Comparative study on direct and indirect bracket bonding techniques regarding time length and bracket detachment

    Directory of Open Access Journals (Sweden)

    Jefferson Vinicius Bozelli

    2013-12-01

    Full Text Available OBJECTIVE: The aim of this study was to assess the time spent for direct (DBB - direct bracket bonding and indirect (IBB - indirect bracket bonding bracket bonding techniques. The time length of laboratorial (IBB and clinical steps (DBB and IBB as well as the prevalence of loose bracket after a 24-week follow-up were evaluated. METHODS: Seventeen patients (7 men and 10 women with a mean age of 21 years, requiring orthodontic treatment were selected for this study. A total of 304 brackets were used (151 DBB and 153 IBB. The same bracket type and bonding material were used in both groups. Data were submitted to statistical analysis by Wilcoxon non-parametric test at 5% level of significance. RESULTS: Considering the total time length, the IBB technique was more time-consuming than the DBB (p < 0.001. However, considering only the clinical phase, the IBB took less time than the DBB (p < 0.001. There was no significant difference (p = 0.910 for the time spent during laboratorial positioning of the brackets and clinical session for IBB in comparison to the clinical procedure for DBB. Additionally, no difference was found as for the prevalence of loose bracket between both groups. CONCLUSION: the IBB can be suggested as a valid clinical procedure since the clinical session was faster and the total time spent for laboratorial positioning of the brackets and clinical procedure was similar to that of DBB. In addition, both approaches resulted in similar frequency of loose bracket.

  20. An evaluation of shear bond strength of self-etch adhesive on pre-etched enamel: an in vitro study.

    Science.gov (United States)

    Rao, Bhadra; Reddy, Satti Narayana; Mujeeb, Abdul; Mehta, Kanchan; Saritha, G

    2013-11-01

    To determine the shear bond strength of self-etch adhesive G-bond on pre-etched enamel. Thirty caries free human mandibular premolars extracted for orthodontic purpose were used for the study. Occlusal surfaces of all the teeth were flattened with diamond bur and a silicon carbide paper was used for surface smoothening. The thirty samples were randomly grouped into three groups. Three different etch systems were used for the composite build up: group 1 (G-bond self-etch adhesive system), group 2 (G-bond) and group 3 (Adper single bond). Light cured was applied for 10 seconds with a LED unit for composite buildup on the occlusal surface of each tooth with 8 millimeters (mm) in diameter and 3 mm in thickness. The specimens in each group were tested in shear mode using a knife-edge testing apparatus in a universal testing machine across head speed of 1 mm/ minute. Shear bond strength values in Mpa were calculated from the peak load at failure divided by the specimen surface area. The mean shear bond strength of all the groups were calculated and statistical analysis was carried out using one-way Analysis of Variance (ANOVA). The mean bond strength of group 1 is 15.5 Mpa, group 2 is 19.5 Mpa and group 3 is 20.1 Mpa. Statistical analysis was carried out between the groups using one-way ANOVA. Group 1 showed statistically significant lower bond strength when compared to groups 2 and 3. No statistical significant difference between groups 2 and 3 (p adhesive G-bond showed increase in shear bond strength on pre-etched enamel.

  1. Does bony hip morphology affect the outcome of treatment for patients with adductor-related groin pain?

    DEFF Research Database (Denmark)

    Hölmich, Per; Thorborg, Kristian; Nyvold, Per

    2014-01-01

    BACKGROUND: Adductor-related groin pain and bony morphology such as femoroacetabular impingement (FAI) or hip dysplasia can coexist clinically. A previous randomised controlled trial in which athletes with adductor-related groin pain underwent either passive treatment (PT) or active treatment (AT......) showed good results in the AT group. The primary purpose of the present study was to evaluate if radiological signs of FAI or hip dysplasia seem to affect the clinical outcome, initially and at 8-12 years of follow-up. METHODS: 47 patients (80%) were available for follow-up. The clinical result......, there was no significant difference in the distribution of Tönnis grades between hips that had an unchanged or improved outcome compared with hips that had a worse outcome over time (p=0.145). CONCLUSIONS: No evidence was found that bony hip morphology related to FAI or dysplasia prevents successful outcome...

  2. Bony Calvarium as the Sole Site ofMetastases in Squamous Cell Carcinomaof the Uterine Cervix

    Directory of Open Access Journals (Sweden)

    Mohammad Mohammadianpanah

    2010-10-01

    Full Text Available Isolated skeletal metastasis to the bony calvarium is extremely rare in patients with squamous cell carcinoma of the uterine cervix. We describe the clinical and imaging findings in a case of squamous cell carcinoma of the uterine cervix with metastases tothe bony calvarium as the sole site of metastasis. The patient was a 65-year-old woman with squamous cell carcinoma of the uterine cervix, FIGO stage IIIb, whose initial treatement was chemoradiation therapy. After 22 sessions of external-beam radiation,she developed headaches. On physical examination she had skull bone tenderness. On plain skull X-ray, there were osteolytic bony lesions. Brain MRI showed multiple enhancing skull bone metatstses. Eventually, a whole body bone scintigraphy revealed isolated diffuse increased activity in the bony calvarium. In the literature review, wefound only three similar cases of cervical cancer with scalp metastases and involvement of the bony calvarium.

  3. Studies on in situ magnetic alignment of bonded anisotropic Nd-Fe-B alloy powders

    Energy Technology Data Exchange (ETDEWEB)

    Nlebedim, I.C. [Ames Laboratory, Ames, IA 50011 (United States); Ucar, Huseyin; Hatter, Christine B. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); McCallum, R.W. [Ames Laboratory, Ames, IA 50011 (United States); McCall, Scott K. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Kramer, M.J. [Ames Laboratory, Ames, IA 50011 (United States); Paranthaman, M. Parans [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2017-01-15

    Considerations for achieving high degree of alignment in polymer bonded permanent magnets are presented via the results of a study on in situ magnetic alignment of anisotropic Nd-Fe-B magnet powders. Contributions from effect of the alignment temperature, alignment magnetic field and the properties of the polymer on the hard magnetic properties of the bonded magnet were considered. The thermo-rheological properties of the polymer and the response of the magnet powders to the applied magnetic field indicate that hard magnetic properties were optimized at an alignment temperature just above the melting temperature of the EVA co-polymer. This agrees with an observed correlation between the change in magnetization due to improved magnetic alignment of the anisotropic powders and the change in viscosity of the binder. Manufacturing cost can be minimized by identifying optimum alignment temperatures and magnetic field strengths. - Highlights: • Optimum alignment of anisotropic magnet powders can enable high performance bonded magnets. • The viscoelastic state of polymer binders determines the dominating coercivity mechanism. • The minimum deviation in coercivity and remanence, with magnetic field, can occur at different temperatures. • Melting characteristics of polymer binders and the change in magnetization during alignment can be correlated.

  4. Experimental Study on Layered Ice Bonded Abrasive Polishing of Glass-ceramics

    Directory of Open Access Journals (Sweden)

    Yuli SUN

    2014-12-01

    Full Text Available Layered ice bonded abrasive tools (LIBAT is a new kind of one which not only has the ability of lapping and polishing but also has the effect of self-dressing. In this paper, two kinds of layered ice bonded abrasive tools were designed and manufactured. Experimental studies on layered ice bonded abrasive (LIBA polishing of glass-ceramics were conducted. The results show that the surface topography of glass-ceramics polished by micro α-Al2O3-nano α-Al2O3 LIBAT is better than that of polished by micro α-Al2O3-nano SiO2 LIBAT. The surface roughness Sa of glass-ceramics polished by the two kinds of LIBAT is at the nanometer scale. The reasons of this phenomenon were analyzed. The experimental results illustrate that the LIBAT shows good effect and can be used in production practice. DOI: http://dx.doi.org/10.5755/j01.ms.20.4.6149

  5. A bonding study toward the quality assurance of Belle-II silicon vertex detector modules

    International Nuclear Information System (INIS)

    Kang, K.H.; Jeon, H.B.; Park, H.; Uozumi, S.; Adamczyk, K.; Aihara, H.; Angelini, C.; Aziz, T.; Babu, V.; Bacher, S.; Bahinipati, S.; Barberio, E.; Baroncelli, T.; Basith, A.K.; Batignani, G.; Bauer, A.; Behera, P.K.; Bergauer, T.; Bettarini, S.; Bhuyan, B.

    2016-01-01

    A silicon vertex detector (SVD) for the Belle-II experiment comprises four layers of double-sided silicon strip detectors (DSSDs), assembled in a ladder-like structure. Each ladder module of the outermost SVD layer has four rectangular and one trapezoidal DSSDs supported by two carbon-fiber ribs. In order to achieve a good signal-to-noise ratio and minimize material budget, a novel chip-on-sensor “Origami” method has been employed for the three rectangular sensors that are sandwiched between the backward rectangular and forward (slanted) trapezoidal sensors. This paper describes the bonding procedures developed for making electrical connections between sensors and signal fan-out flex circuits (i.e., pitch adapters), and between pitch adapters and readout chips as well as the results in terms of the achieved bonding quality and pull force. - Highlights: • Gluing and wire binding for Belle-II SVD are studied. • Gluing robot and Origami module are used. • QA are satisfied in terms of the achieved bonding throughput and the pull force. • Result will be applied for L6 ladder assembly.

  6. A bonding study toward the quality assurance of Belle-II silicon vertex detector modules

    Energy Technology Data Exchange (ETDEWEB)

    Kang, K.H.; Jeon, H.B. [RSRI, Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Park, H., E-mail: sunshine@knu.ac.kr [RSRI, Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Uozumi, S. [RSRI, Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Adamczyk, K. [H. Niewodniczanski Institute of Nuclear Physics, Krakow 31-342 (Poland); Aihara, H. [Department of Physics, University of Tokyo, Tokyo 113-0033 (Japan); Angelini, C. [Dipartimento di Fisica, Universitá di Pisa, I-56127 Pisa (Italy); INFN Sezione di Pisa, I-56127 Pisa (Italy); Aziz, T.; Babu, V. [Tata Institute of Fundamental Research, Mumbai 400005 (India); Bacher, S. [H. Niewodniczanski Institute of Nuclear Physics, Krakow 31-342 (Poland); Bahinipati, S. [Indian Institute of Technology Bhubaneswar, Satya Nagar (India); Barberio, E.; Baroncelli, T. [School of Physics, University of Melbourne, Melbourne, Victoria 3010 (Australia); Basith, A.K. [Indian Institute of Technology Madras, Chennai 600036 (India); Batignani, G. [Dipartimento di Fisica, Universitá di Pisa, I-56127 Pisa (Italy); INFN Sezione di Pisa, I-56127 Pisa (Italy); Bauer, A. [Institute of High Energy Physics, Austrian Academy of Sciences, 1050 Vienna (Austria); Behera, P.K. [Indian Institute of Technology Madras, Chennai 600036 (India); Bergauer, T. [Institute of High Energy Physics, Austrian Academy of Sciences, 1050 Vienna (Austria); Bettarini, S. [Dipartimento di Fisica, Universitá di Pisa, I-56127 Pisa (Italy); INFN Sezione di Pisa, I-56127 Pisa (Italy); Bhuyan, B. [Indian Institute of Technology Guwahati, Assam 781039 (India); and others

    2016-09-21

    A silicon vertex detector (SVD) for the Belle-II experiment comprises four layers of double-sided silicon strip detectors (DSSDs), assembled in a ladder-like structure. Each ladder module of the outermost SVD layer has four rectangular and one trapezoidal DSSDs supported by two carbon-fiber ribs. In order to achieve a good signal-to-noise ratio and minimize material budget, a novel chip-on-sensor “Origami” method has been employed for the three rectangular sensors that are sandwiched between the backward rectangular and forward (slanted) trapezoidal sensors. This paper describes the bonding procedures developed for making electrical connections between sensors and signal fan-out flex circuits (i.e., pitch adapters), and between pitch adapters and readout chips as well as the results in terms of the achieved bonding quality and pull force. - Highlights: • Gluing and wire binding for Belle-II SVD are studied. • Gluing robot and Origami module are used. • QA are satisfied in terms of the achieved bonding throughput and the pull force. • Result will be applied for L6 ladder assembly.

  7. Iodine bonding stabilizes iodomethane in MIDAS pesticide. Theoretical study of intermolecular interactions between iodomethane and chloropicrin.

    Science.gov (United States)

    Glaser, Rainer; Prugger, Kaitlan

    2012-02-22

    The results are reported of a theoretical study of iodomethane (H(3)C-I, 1) and chloropicrin (Cl(3)C-NO(2), 2), of the heterodimers 3-6 formed by aggregation of 1 and 2, and of their addition products 7 and 8 and their possible fragmentation reactions to 9-18. Mixtures of iodomethane and chloropicrin are not expected to show chemistry resulting from their reactions with each other. The structures and stabilities are discussed of the iodine-bonded molecular aggregates (IBMA) 3 and 4 and of the hydrogen- and iodine-bonded molecular aggregates (IHBMA) 5 and 6. The mixed aggregates 3-5 are bound on the free enthalpy surface relative to the homodimers of 1 and 2, and the IBMA structures 3 and 4 are most stable. This result suggests that the mixture of chloropicrin and iodomethane in the pesticide Midas is a good choice to reduce the volatility of iodomethane because of thermodynamically stabilizing iodine bonding.

  8. Mutual influence between triel bond and cation-π interactions: an ab initio study

    Science.gov (United States)

    Esrafili, Mehdi D.; Mousavian, Parisasadat

    2017-12-01

    Using ab initio calculations, the cooperative and solvent effects on cation-π and B...N interactions are studied in some model ternary complexes, where these interactions coexist. The nature of the interactions and the mechanism of cooperativity are investigated by means of quantum theory of atoms in molecules (QTAIM), noncovalent interaction (NCI) index and natural bond orbital analysis. The results indicate that all cation-π and B...N binding distances in the ternary complexes are shorter than those of corresponding binary systems. The QTAIM analysis reveals that ternary complexes have higher electron density at their bond critical points relative to the corresponding binary complexes. In addition, according to the QTAIM analysis, the formation of cation-π interaction increases covalency of B...N bonds. The NCI analysis indicates that the cooperative effects in the ternary complexes make a shift in the location of the spike associated with each interaction, which can be regarded as an evidence for the reinforcement of both cation-π and B...N interactions in these systems. Solvent effects on the cooperativity of cation-π and B...N interactions are also investigated.

  9. Studies on in situ magnetic alignment of bonded anisotropic Nd-Fe-B alloy powders

    International Nuclear Information System (INIS)

    Nlebedim, I.C.; Ucar, Huseyin; Hatter, Christine B.; McCallum, R.W.; McCall, Scott K.; Kramer, M.J.; Paranthaman, M. Parans

    2017-01-01

    Considerations for achieving high degree of alignment in polymer bonded permanent magnets are presented via the results of a study on in situ magnetic alignment of anisotropic Nd-Fe-B magnet powders. Contributions from effect of the alignment temperature, alignment magnetic field and the properties of the polymer on the hard magnetic properties of the bonded magnet were considered. The thermo-rheological properties of the polymer and the response of the magnet powders to the applied magnetic field indicate that hard magnetic properties were optimized at an alignment temperature just above the melting temperature of the EVA co-polymer. This agrees with an observed correlation between the change in magnetization due to improved magnetic alignment of the anisotropic powders and the change in viscosity of the binder. Manufacturing cost can be minimized by identifying optimum alignment temperatures and magnetic field strengths. - Highlights: • Optimum alignment of anisotropic magnet powders can enable high performance bonded magnets. • The viscoelastic state of polymer binders determines the dominating coercivity mechanism. • The minimum deviation in coercivity and remanence, with magnetic field, can occur at different temperatures. • Melting characteristics of polymer binders and the change in magnetization during alignment can be correlated.

  10. HR-EELS study of hydrogen bonding configuration, chemical and thermal stability of detonation nanodiamond films

    Energy Technology Data Exchange (ETDEWEB)

    Michaelson, Sh.; Akhvlediani, R. [Schulich Faculty of Chemistry, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Petit, T.; Girard, H.A.; Arnault, J.C. [CEA, LIST, Diamond Sensors Laboratory, F-91191 Gif sur Yvette (France); Hoffman, A., E-mail: choffman@tx.technion.ac.il [Schulich Faculty of Chemistry, Technion-Israel Institute of Technology, Haifa 32000 (Israel)

    2014-06-01

    Nano-diamond films composed of 3–10 nm grains prepared by the detonation method and deposited onto silicon substrates by drop-casting were examined by high resolution electron energy loss spectroscopy (HR-EELS), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and secondary ion mass spectroscopy (SIMS). The impact of (i) ex-situ ambient annealing at 400 °C and (ii) ex-situ hydrogenation on hydrogen bonding and its thermal stability were examined. In order to clarify the changes in hydrogen bonding configuration detected on the different surfaces as a function of thermal annealing, in-situ hydrogenation by thermally activated atomic hydrogen was performed and examined. This study provides direct evidence that the exposure to ambient conditions and medium temperature ambient annealing have a pronounced effect on the hydrogen-carbon bonding configuration onto the nano-diamond surfaces. In-situ 1000 °C annealing results in irreversible changes of the film surface and partial nano-diamond silicidation.

  11. Solid-liquid interdiffusion (SLID) bonding in the Au-In system: experimental study and 1D modelling

    Science.gov (United States)

    Deillon, Léa; Hessler-Wyser, Aïcha; Hessler, Thierry; Rappaz, Michel

    2015-12-01

    Au-In bonds with a nominal composition of about 60 at.% In were fabricated for use in wafer-level packaging of MEMS. The microstructure of the bonds was studied by scanning electron microscopy. The bond hermeticity was then assessed using oxidation of Cu thin discs predeposited within the sealed packages. The three intermetallic compounds AuIn2, AuIn and Au7In3 were observed. Their thickness evolution during bonding and after subsequent heat treatment was successfully modelled using a finite difference model of diffusion, thermodynamic data and diffusion coefficients calibrated from isothermal diffusion couples. 17% of the packages were hermetic and, although the origin of the leaks could not be clearly identified, it appeared that hermeticity was correlated with the unevenness of the metallisation and/or wafer and the fact that the bonds shrink due to density differences as the relative fractions of the various phases gradually evolve.

  12. Solid-liquid interdiffusion (SLID) bonding in the Au–In system: experimental study and 1D modelling

    International Nuclear Information System (INIS)

    Deillon, Léa; Hessler-Wyser, Aïcha; Hessler, Thierry; Rappaz, Michel

    2015-01-01

    Au–In bonds with a nominal composition of about 60 at.% In were fabricated for use in wafer-level packaging of MEMS. The microstructure of the bonds was studied by scanning electron microscopy. The bond hermeticity was then assessed using oxidation of Cu thin discs predeposited within the sealed packages. The three intermetallic compounds AuIn 2 , AuIn and Au 7 In 3 were observed. Their thickness evolution during bonding and after subsequent heat treatment was successfully modelled using a finite difference model of diffusion, thermodynamic data and diffusion coefficients calibrated from isothermal diffusion couples. 17% of the packages were hermetic and, although the origin of the leaks could not be clearly identified, it appeared that hermeticity was correlated with the unevenness of the metallisation and/or wafer and the fact that the bonds shrink due to density differences as the relative fractions of the various phases gradually evolve. (paper)

  13. Prospective associations between recalled parental bonding and perinatal depression: a cohort study in urban and rural Turkey.

    Science.gov (United States)

    Duman, Berker; Senturk Cankorur, Vesile; Taylor, Clare; Stewart, Robert

    2018-04-01

    Recalled experiences of parental bonding may be important in the aetiology of perinatal depression. We hypothesized that lower recalled parental bonding would be associated with perinatal depression. In a cohort study of perinatal depression in Turkey, 677 women were recruited in their third trimester. Parental Bonding Inventory (PBI) scores at baseline were investigated as predictors of depression on the Edinburgh Postnatal Depression Scale (EPDS) at 4, 14 and 21 months after childbirth in mothers without depression at baseline. Poor parental bonding scores, apart from paternal control and overprotection, were independently associated with antenatal depression. Incident postnatal depression at 4 months was predicted by parental overprotection, at 14 months by parental care and overprotection, and at 21 months by paternal control and overprotection. Less satisfactory parenting recalled in the antenatal period was an independent predictor of postnatal depression; however, the different bonding subscales varied as predictors according to the timing of the depression assessment after childbirth.

  14. Deproteinization of fluorosed enamel with sodium hypochlorite enhances the shear bond strength of orthodontic brackets: An In vitro study

    Directory of Open Access Journals (Sweden)

    Rekha Sharma

    2017-01-01

    Full Text Available Context: Improving bonding strength to fluorosed teeh. Aims: To determine the effect of deproteinization using 5.25% sodium hypochlorite (NaOCl prior to acid etching on shear bond strength of orthodontic brackets bonded to fluorosed teeth. Settings and Design: In vitro experimental study. Methods and Material: Forty freshly extracted human mandibular first premolars with TFI 4 were selected and divided into two groups of 20 each. In Group I the teeth were acid etched with 37% phosphoric acid and bonded with composite. In Group II the teeth were deproteinized with 5.25% NaOCl prior to acid etching with 37% phosphoric acid and were bonded with composite. Samples were then subjected to shear bond test by Instron Universal Testing machine. The sample from each group were selected for the SEM study (prior to bonding to analyze the etching patterns achieved. Statistical Analysis Used: Data was checked for normality by Shapiro Wilk Test, to compare the two groups unpaired t test was used. P value was predetermined at ≤ 0.05. Results: The S BS of Group II (11.75 ± 2.83 MPa was higher than Group I (7.44 ± 2.43 MPa and the difference was statistically significant (P = 0.000. On SEM the etching pattern was more of type 1 and 2 in Group II. Conclusions: Deproteinization using 5.25% NaOCl prior to acid etching significantly increases the shear bond strength of brackets bonded to fluorosed teeth and can be used as a convenient and effective option in orthodontic bonding to fluorosed teeth.

  15. The bony labyrinth of the middle Pleistocene Sima de los Huesos hominins (Sierra de Atapuerca, Spain).

    Science.gov (United States)

    Quam, Rolf; Lorenzo, Carlos; Martínez, Ignacio; Gracia-Téllez, Ana; Arsuaga, Juan Luis

    2016-01-01

    We performed 3D virtual reconstructions based on CT scans to study the bony labyrinth morphology in 14 individuals from the large middle Pleistocene hominin sample from the site of the Sima de los Huesos (SH) in the Sierra de Atapuerca in northern Spain. The Atapuerca (SH) hominins represent early members of the Neandertal clade and provide an opportunity to compare the data with the later in time Neandertals, as well as Pleistocene and recent humans more broadly. The Atapuerca (SH) hominins do not differ from the Neandertals in any of the variables related to the absolute and relative sizes and shape of the semicircular canals. Indeed, the entire Neandertal clade seems to be characterized by a derived pattern of canal proportions, including a relatively small posterior canal and a relatively large lateral canal. In contrast, one of the most distinctive features observed in Neandertals, the low placement of the posterior canal (i.e., high sagittal labyrinthine index), is generally not present in the Atapuerca (SH) hominins. This low placement is considered a derived feature in Neandertals and is correlated with a more vertical orientation of the ampullar line (LSCm  PPp), and third part of the facial canal (LSCm < FC3). Some variation is present within the Atapuerca (SH) sample, however, with a few individuals approaching the Neandertal condition more closely. In addition, the cochlear shape index in the Atapuerca (SH) hominins is low, indicating a reduction in the height of the cochlea. Although the phylogenetic polarity of this feature is less clear, the low shape index in the Atapuerca (SH) hominins may be a derived feature. Regardless, cochlear height subsequently increased in Neandertals. In contrast to previous suggestions, the expanded data in the present study indicate no difference across the genus Homo in the angle of inclination of the cochlear basal turn (COs < LSCm). Principal components analysis largely confirms these observations. While not

  16. Experimental study on flexural members strengthened with variable bonded pre-stressed CFRP plates

    Science.gov (United States)

    Zhang, Baojing; Shang, Shouping

    2017-08-01

    Aiming at the problem that the structural adhesive between CFRP and concrete interface is aging with time and then lost the bond strength, the concept of variable bond prestressed CFRP is put forward. In order to obtain the bearing capacity and failure pattern of the beam strengthened with variable bonding prestressed CFRP plate, three concrete beams of 5.6m long were strengthened by the technology of non-bonding, bonding and variable bonding strengthened with prestressed CFRP plates respectively, the mechanical properties and crack changes of the test beams under three conditions had been compared and analyzed. Test results show that the variable bond strengthened with prestressed CFRP plates with unbonded prestressed CFRP, cracking load was increased by 36%, yield load increased by 4%, the ultimate load increased by 12%; The reinforcement technology of variable bonding prestressed CFRP plate has the characteristics of non-bonding and bonding prestressed CFRP plate reinforcement, which is similar to that of the bonded reinforcement in the early stage of the development of the cracks, then is gradually developing into the non-bonding prestressed reinforcement, the crack spacing and width have the same characteristics as the bonding reinforcement (both crack spacing and width are small), which is more conducive to enhance the durability of the structure.

  17. Intra- und intermolecular hydrogen bonds. Spectroscopic, quantum chemical and molecular dynamics studies

    International Nuclear Information System (INIS)

    Simperler, A.

    1999-03-01

    Intra- and intermolecular H-bonds have been investigated with spectroscopic, quantum chemical, and molecular dynamics methods. The work is divided into the following three parts: 1. Intramolecular interactions in ortho-substituted phenols. Theoretical and experimental data that characterizes the intramolecular hydrogen bonds in 48 different o-substituted phenols are discussed. The study covers various kinds of O-H ... Y -type interactions (Y= N, O, S, F, Cl, Br, I, C=C, C=-C, and C-=N). The bond strength sequences for several series of systematically related compounds as obtained from IR spectroscopy data (i.e., v(OH) stretching frequencies) are discussed and reproduced with several theoretical methods (B3LYP/6-31G(d,p), B3LYP/6-311G(d,p), B3LYP/6-31++G(d,p), B3LYP/DZVP, MP2/6-31G(d,p), and MP2/6-31++G(d,p) levels of theory). The experimentally determined sequences are interpreted in terms of the intrinsic properties of the molecules: hydrogen bond distances, Mulliken partial charges, van der Waals radii, and electron densities of the Y-proton acceptors. 2. Competitive hydrogen bonds and conformational equilibria in 2,6-disubstituted phenols containing two different carbonyl substituents. The rotational isomers of ten unsymmetrical 2,6-disubstituted phenols as obtained by combinations of five different carbonyl substituents (COOH, COOCH 3 , CHO, COCH 3 , and CONH 2 ) have been theoretically investigated at the B3LYP/6-31G(d,p) level of theory. The relative stability of four to five conformers of each compound were determined by full geometry optimization for free molecules as well as for molecules in reaction fields with dielectric constants up to ε=37.5. A comparison with IR spectroscopic data of available compounds revealed excellent agreement with the theoretically predicted stability sequences and conformational equilibria. The stability of a conformer could be interpreted to be governed by the following two contributions: (i) an attractive hydrogen bond

  18. Redshift or adduct stabilization -- a computational study of hydrogen bonding in adducts of protonated carboxylic acids

    DEFF Research Database (Denmark)

    Olesen, Solveig Gaarn; Hammerum, Steen

    2009-01-01

    It is generally expected that the hydrogen bond strength in a D-H-A adduct is predicted by the difference between the proton affinities of D and A, measured by the adduct stabilization, and demonstrated by the IR redshift of the D-H bond stretching vibrational frequency. These criteria do...... not always yield consistent predictions, as illustrated by the hydrogen bonds formed by the E and Z OH groups of protonated carboxylic acids. The delta-PA and the stabilization of a series of hydrogen bonded adducts indicate that the E OH group forms the stronger hydrogen bonds, whereas the bond length...... carboxylic acids are different. The OH bond length and IR redshift afford the better measure of hydrogen bond strength....

  19. Biomechanical Comparison of Arthroscopic Single- and Double-Row Repair Techniques for Acute Bony Bankart Lesions.

    Science.gov (United States)

    Spiegl, Ulrich J; Smith, Sean D; Todd, Jocelyn N; Coatney, Garrett A; Wijdicks, Coen A; Millett, Peter J

    2014-08-01

    Single- and double-row arthroscopic reconstruction techniques for acute bony Bankart lesions have been described in the literature. The double-row fixation technique would provide superior reduction and stability of a simulated bony Bankart lesion at time zero in a cadaveric model compared with the single-row technique. Controlled laboratory study. Testing was performed on 14 matched pairs of glenoids with simulated bony Bankart fractures with a defect width of 25% of the glenoid diameter. Half of the fractures were repaired with a double-row technique, while the contralateral glenoids were repaired with a single-row technique. The quality of fracture reduction was measured with a coordinate measuring machine. To determine the biomechanical stability of the repairs, specimens were preconditioned with 10 sinusoidal cycles between 5 and 25 N at 0.1 Hz and then pulled to failure in the anteromedial direction at a rate of 5 mm/min. Loads at 1 mm and 2 mm of fracture displacement were determined. The double-row technique required significantly higher forces to achieve fracture displacements of 1 mm (mean, 60.6 N; range, 39.0-93.3 N; P = .001) and 2 mm (mean, 94.4 N; range, 43.4-151.2 N; P = .004) than the single-row technique (1 mm: mean, 30.2 N; range, 14.0-54.1 N and 2 mm: mean, 63.7 N; range, 26.6-118.8 N). Significantly reduced fracture displacement was seen after double-row repair for both the unloaded condition (mean, 1.1 mm; range, 0.3-2.4 mm; P = .005) and in response to a 10-N anterior force applied to the defect (mean, 1.6 mm; range, 0.5-2.7 mm; P = .001) compared with single-row repair (unloaded: mean, 2.1 mm; range, 1.3-3.4 mm and loaded: mean, 3.4 mm; range, 1.9-4.7 mm). The double-row fixation technique resulted in improved fracture reduction and superior stability at time zero in this cadaveric model. This information may influence the surgical technique used to treat large osseous Bankart fractures and the postoperative rehabilitation protocols

  20. Shear bond strength of precoated orthodontic brackets: an in vivo study

    OpenAIRE

    Hassan, Ali H

    2010-01-01

    Ali H HassanDepartment of Preventive Dental Sciences, Faculty of Dentistry, King Abdulaziz University, Jeddah, Saudi ArabiaObjective: To evaluate the shear bond strength of precoated orthodontic brackets bonded with self-etching primer relative to that of noncoated conventionally-bonded brackets at two different time intervals.Methods: Twenty-one subjects were selected for randomized split-mouth bonding of two types of brackets to the maxillary arch. Half of the teeth had precoated brackets b...

  1. The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure

    International Nuclear Information System (INIS)

    Pirillo, S.; López-Corral, I.; Germán, E.; Juan, A.

    2012-01-01

    Highlights: ► Study of acrolein/Pt (1 1 1) adsorption using ab-initio and semiempirical methods. ► Geometry optimization and DOS curves were carried out using VASP code. ► Study of chemical bonding evolution using COOP and OP analysis. ► After adsorption Pt-Pt, C=O and C=C bonds are weakened. ► η 3 -cis and η 4 -trans most stable adsorption modes, η 1 -trans less favored one. - Abstract: The adsorption of acrolein on a Pt (1 1 1) surface was studied using ab-initio and semiempirical calculations. Geometry optimization and densities of states (DOS) curves were carried out using the Vienna Ab-initio Simulation Package (VASP) code. We started our study with the preferential geometries corresponding to the different acrolein/Pt (1 1 1) adsorption modes previously reported. Then, we examined the evolution of the chemical bonding in these geometries, using the crystal orbital overlap population (COOP) and overlap population (OP) analysis of selected pairs of atoms. We analyzed the acrolein intramolecular bonds, Pt (1 1 1) superficial bonds and new molecule-surface formed bonds after adsorption. We found that Pt-Pt bonds interacting with the molecule and acrolein C=O and C=C bonds are weakened after adsorption; this last bond is significantly linked to the surface. The obtained C-Pt and O-Pt OP values suggest that the most stable adsorption modes are η 3 -cis and η 4 -trans, while the η 1 -trans is the less favored configuration. We also found that C p z orbital and Pt p z and d z 2 orbitals participate strongly in the adsorption process.

  2. Hydrogen bonding analysis of hydroxyl groups in glucose aqueous solutions by a molecular dynamics simulation study

    International Nuclear Information System (INIS)

    Chen, Cong; Li, Wei Zhong; Song, Yong Chen; Weng, Lin Dong; Zhang, Ning

    2012-01-01

    Molecular dynamics simulations have been performed to investigate hydrogen bonding characteristics of hydroxyl groups in glucose aqueous solutions with different concentrations. The hydrogen bonding abilities and strength of different O and H atom types have been calculated and compared. The acceptor/donor efficiencies have been predicted and it has been found that: (1) O2-HO2 and O3-HO3 are more efficient intramolecular hydrogen bonding acceptors than donors; (2) O1-HO1, O4-HO4 and O6-HO6 are more efficient intramolecular hydrogen bonding donors than acceptors; (5) O1-HO1 and O6-HO6 are more efficient intermolecular hydrogen bonding acceptors than donors while hydroxyl groups O2-HO2 and O4-HO4 are more efficient intermolecular hydrogen bonding donors than acceptors. The hydrogen bonding abilities of hydroxyl groups revealed that: (1) the hydrogen bonding ability of OH2-H w is larger than that of hydroxyl groups in glucose; (2) among the hydroxyl groups in glucose, the hydrogen bonding ability of O6-HO6 is the largest and the hydrogen bonding ability of O4-HO4 is the smallest; (3) the intermolecular hydrogen bonding ability of O6-HO6 is the largest; (4) the order for intramolecular hydrogen bonding abilities (from large to small) is O2-HO2, O1-HO1, O3-HO3, O6-HO6 and O4-HO4

  3. The Evolution of Bony Vertebrate Enhancers at Odds with Their Coding Sequence Landscape.

    Science.gov (United States)

    Yousaf, Aisha; Sohail Raza, Muhammad; Ali Abbasi, Amir

    2015-08-06

    Enhancers lie at the heart of transcriptional and developmental gene regulation. Therefore, changes in enhancer sequences usually disrupt the target gene expression and result in disease phenotypes. Despite the well-established role of enhancers in development and disease, evolutionary sequence studies are lacking. The current study attempts to unravel the puzzle of bony vertebrates' conserved noncoding elements (CNE) enhancer evolution. Bayesian phylogenetics of enhancer sequences spotlights promising interordinal relationships among placental mammals, proposing a closer relationship between humans and laurasiatherians while placing rodents at the basal position. Clock-based estimates of enhancer evolution provided a dynamic picture of interspecific rate changes across the bony vertebrate lineage. Moreover, coelacanth in the study augmented our appreciation of the vertebrate cis-regulatory evolution during water-land transition. Intriguingly, we observed a pronounced upsurge in enhancer evolution in land-dwelling vertebrates. These novel findings triggered us to further investigate the evolutionary trend of coding as well as CNE nonenhancer repertoires, to highlight the relative evolutionary dynamics of diverse genomic landscapes. Surprisingly, the evolutionary rates of enhancer sequences were clearly at odds with those of the coding and the CNE nonenhancer sequences during vertebrate adaptation to land, with land vertebrates exhibiting significantly reduced rates of coding sequence evolution in comparison to their fast evolving regulatory landscape. The observed variation in tetrapod cis-regulatory elements caused the fine-tuning of associated gene regulatory networks. Therefore, the increased evolutionary rate of tetrapods' enhancer sequences might be responsible for the variation in developmental regulatory circuits during the process of vertebrate adaptation to land. © The Author(s) 2015. Published by Oxford University Press on behalf of the Society for

  4. Bony cranial ornamentation linked to rapid evolution of gigantic theropod dinosaurs

    Science.gov (United States)

    Gates, Terry A.; Organ, Chris; Zanno, Lindsay E.

    2016-09-01

    Exaggerated cranial structures such as crests and horns, hereafter referred to collectively as ornaments, are pervasive across animal species. These structures perform vital roles in visual communication and physical interactions within and between species. Yet the origin and influence of ornamentation on speciation and ecology across macroevolutionary time scales remains poorly understood for virtually all animals. Here, we explore correlative evolution of osseous cranial ornaments with large body size in theropod dinosaurs using a phylogenetic comparative framework. We find that body size evolved directionally toward phyletic giantism an order of magnitude faster in theropod species possessing ornaments compared with unadorned lineages. In addition, we find a body mass threshold below which bony cranial ornaments do not originate. Maniraptoriform dinosaurs generally lack osseous cranial ornaments despite repeatedly crossing this body size threshold. Our study provides novel, quantitative support for a shift in selective pressures on socio-sexual display mechanisms in theropods coincident with the evolution of pennaceous feathers.

  5. The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure

    Science.gov (United States)

    Pirillo, S.; López-Corral, I.; Germán, E.; Juan, A.

    2012-12-01

    The adsorption of acrolein on a Pt (1 1 1) surface was studied using ab-initio and semiempirical calculations. Geometry optimization and densities of states (DOS) curves were carried out using the Vienna Ab-initio Simulation Package (VASP) code. We started our study with the preferential geometries corresponding to the different acrolein/Pt (1 1 1) adsorption modes previously reported. Then, we examined the evolution of the chemical bonding in these geometries, using the crystal orbital overlap population (COOP) and overlap population (OP) analysis of selected pairs of atoms. We analyzed the acrolein intramolecular bonds, Pt (1 1 1) superficial bonds and new moleculesbnd surface formed bonds after adsorption. We found that Ptsbnd Pt bonds interacting with the molecule and acrolein Cdbnd O and Cdbnd C bonds are weakened after adsorption; this last bond is significantly linked to the surface. The obtained Csbnd Pt and Osbnd Pt OP values suggest that the most stable adsorption modes are η3-cis and η4-trans, while the η1-trans is the less favored configuration. We also found that C pz orbital and Pt pz and d orbitals participate strongly in the adsorption process.

  6. Airway Obstruction and the Unilateral Cleft Lip and Palate Deformity: Contributions by the Bony Septum.

    Science.gov (United States)

    Friel, Michael T; Starbuck, John M; Ghoneima, Ahmed M; Murage, Kariuki; Kula, Katherine S; Tholpady, Sunil; Havlik, Robert J; Flores, Roberto L

    2015-07-01

    Patients with unilateral cleft lip and palate (CLP) deformities commonly develop nasal airway obstruction, necessitating septoplasty at the time of definitive rhinoplasty. We assessed the contribution of the bony septum to airway obstruction using computed tomography (CT) and cone beam CT (CBCT). A 2-year retrospective review of all subjects with unilateral CLP who underwent CBCT imaging (n = 22) and age-matched controls (n = 9) who underwent CT imaging was conducted. Control CT scans were used to determine the segment of nasal septum comprised almost entirely of bone. The CBCT of the nasal airway was assessed using Dolphin software to determine the contribution of the bony septum to septal deviation and airway obstruction. The nasal septum posterior to the midpoint between anterior and posterior nasal spine is comprised of 96% bone. The nasal airway associated with this posterior bony segment was 43.1% (P < 0.001) larger by volume on the non-cleft side in patients with unilateral CLP. The average septal deviation within the posterior bony segment was 5.4 mm, accounting for 74.4% of the maximal deviation within the nasal airway. The average airway stenosis within the posterior bony nasal airway was 0.45 mm (0-2.2 mm). In patients with unilateral CLP, the bony nasal septum can demonstrate significant deviation and airway stenosis. Surgeons should consider a bony septoplasty in their treatment algorithm in unilateral CLP patients who have reached skeletal maturity.

  7. [Study of parental bonding in childhood in children and adolescents with anorexia nervosa].

    Science.gov (United States)

    Albinhac, A M H; Jean, F A M; Bouvard, M P

    2018-04-16

    Anorexia nervosa constitutes a severe and complex eating disorder occurring principally in adolescence. It is one of the most deadly psychiatric disorders. Considering the multifactorial nature of anorexia nervosa, the important place of the family and the growing interest in the theory of attachment in eating disorders, parental bonding is questioned in anorexia nervosa. The main study goal is to analyze parental bonding in a population of children and adolescents with anorexia nervosa. The secondary objective is to study differences according to the age group. We realized an observational pilot study in Bordeaux over a period from June 2015 to April 2017. Twenty five young girls with anorexia nervosa, aged 10 to 17 years, hospitalized in the department of child and adolescent psychiatry and department of eating disorders have been included and divided into two groups: peripubertal for children under 14 and pubertal for children aged 14 to 17 years. We met them individually to complete a series of questionnaires including the Parental Bonding Instrument (for assessing attachment), the Mini International Neuropsychiatry Interview for Children and Adolescent (for detecting the presence of comorbidity) and a structured questionnaire for collecting general information on anorexia nervosa. Results revealed high parental care, high maternal and paternal overprotection with predominantly "optimal" parenting style followed by "affectionate constraint" style. Significant differences were observed in anorexia nervosa patients with maternal (P=0.011) and paternal (P=0.085) overprotection in pubes compared to peripubertal. In correlation analysis, there was a positive correlation between maternal protection and age of diagnosis and a negative correlation between parental care and duration of illness. Furthermore, the maternal overprotection tended to be correlated significantly and positively with the age of the diagnosis and the paternal overprotection with the body mass

  8. Myelotoxicity of Samarium Sm153 lexidronam in patients with painful bony metastases

    International Nuclear Information System (INIS)

    Ben Ghachem, T.; Mhiri, A.; Slim, I.; Bahloul, A.; Yeddes, I.; Elbez, I.; Meddeb, I.; Ben Slimene, M.F.

    2015-01-01

    Full text of publication follows. Introduction: the management of bone pain includes analgesia, radiation, hormones, radiofrequency (RF) ablation, chemotherapy, and surgery. Bone pain palliation therapy with radiopharmaceuticals is a cost-effective systemic therapy to relieve pain from skeletal metastases with a consequent decrease in morbidity and an improvement in quality of life. The aim of our study is to evaluate the effect of myelotoxicity of samarium lexidronam (Sm 153 ) in patients with painful bony metastasis. Methods: we reviewed 116 patients aged from 14 to 87 years old, 91 males (78%) and 25 females (22%), having received 1 to 4 treatments of Sm 153 (37 MBq/kg) for painful bony metastases from different primitive tumors: 67 cases of prostate cancer (57.7%), 22 cases of breast cancer (18.9%), 10 cases of pulmonary cancer (8.6%) and others in 14.6% of cases. Clinical follow-up was available for 159 treatments, consisting on blood count each week over at least two months, in order to evaluate myelotoxicity according to WHO classification. Results: no patients had grade 4 toxicity after its cures. A grade 2-3 myelotoxicity was observed after 52 treatments (34%) during the second week and after 50 treatments (32.6%) during the fourth week with a satisfactory reversibility. At 10 weeks of treatment, myelotoxicity was reclassified from 0 to 2 for 139 cures (90,8%). Moreover, we found that prior treatment with radiotherapy or chemotherapy did not affect the rates of myelotoxicity. Conclusion: multiple treatments with samarium Sm 153 lexidronam had no significant effect on myelotoxicity. Patients with bone predominant metastatic disease may survive for extended periods of time and may safely be treated with multiple modalities of therapy. (authors)

  9. [Prevalence and clinical characteristics of oral bony outgrowth in a Moroccan population].

    Science.gov (United States)

    Oualalou, Y; Azaroual, M F; Zaoui, F; Chbicheb, S; Berrada, S

    2014-11-01

    Oral bony outgrowths (OBOs) are localized bony protuberances that arise from the cortical plate. Various types of OBOs have been described, the precise designation of which depends on anatomic location such as torus palatinus, torus mandibularis, buccal exostosis, or palatal exostosis. We had for aim to determine the prevalence and clinical characteristics of OBOs in a Moroccan population. This cross-sectional study was conducted between March 15 and June 30, 2011 at the Rabat-Salé teaching hospital dental consultation and treatment center, in Morocco. Three hundred and fifty-three patients (160 female and 193 male patients), 11 to 82 years of age, were examined clinically and radiologically to determine the presence of OBO. Twenty-four patients (6.8%) presented with OBOs. The prevalence for exostosis, torus mandibularis, torus palatinus, and associated OBOs was 3.1%, 2%, 0.8%, and 0.9% respectively. There was a significant difference (P=0,01) between the average age for patients presenting with OBO (43.2±12 years of age) and the average age for patients without any OBO (36.5±16 years of age). The prevalence of OBOs in female patients (7.3%) was higher than in male patients (6.3%) but the difference was not significant (P=0.439). Patients with occlusal parafunctional activity presented with significantly more OBO (P=0.016). The reported prevalence of OBO is extremely variable, according to age, gender, and ethnic group. The occurrence of OBO could be triggered by genetic factors associated with environmental factors. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  10. Chemical Bonding in Tl Cuprates Studied by X-Ray Photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Lao, J.Y.; Overmyer, D.L.; Ren, Z.F.; Siegal, M.P.; Vasquez, R.P.; Wang, J.H.

    1999-04-05

    Epitaxial thin films of the Tl cuprate superconductors Tl{sub 2}Ba{sub 2}CaCu{sub 2}O{sub 8}, Tl{sub 2}Ba{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}, and TL{sub 0.78}Bi{sub 0.22}Ba{sub 0.4}Sr{sub 1.6}Ca{sub 2}Cu{sub 3}O{sub 9{minus}{delta}} are studied with x-ray photoemission spectroscopy. These data, together with previous measurements in this lab of Tl{sub 2}Ba{sub 2}CuO{sub 6+{delta}} and TlBa{sub 2}CaCu{sub 2}O{sub 7{minus}{delta}}, comprise a comprehensive data set for a comparative study of Tl cuprates with a range of chemical and electronic properties. In the Cu 2p spectra, a larger energy separation between the satellite and main peaks (E{sub s}-E{sub m}) and a lower intensity ratio (I{sub s}/I{sub m}) are found to correlate with higher values of T{sub c}. Analysis of these spectra within a simple configuration interaction model suggests that higher values of T{sub c} are related to low values of the O 2p {r_arrow} Cu 3d charge transfer energy. In the O 1s region, a smaller bond length between Ba and Cu-O planar oxygen is found to correlate with a lower binding energy for the signal associated with Cu-O bonding, most likely resulting from the increased polarization screening by Ba{sup 2+} ions. For samples near optimum doping, maximum T{sub c} is observed to occur when the Tl 4f{sub 7/2} binding energy is near 117.9 eV, which is near the middle of the range of values observed for Tl cuprates. Higher Tl 4f{sub 7/2} binding energies, corresponding to formal oxidation states nearer Tl{sup 1+}, are also found to correlate with longer bond lengths between Ba and Tl-O planar oxygen, and with higher binding energies of the O 1s signal associated with Tl-O bonding.

  11. Chemical bonding in Tl cuprates studied by x-ray photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Vasquez, R.P. [Center for Space Microelectronics Technology, Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California 91109-8099 (United States); Siegal, M.P.; Overmyer, D.L. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Ren, Z.F.; Lao, J.Y.; Wang, J.H. [Materials Synthesis Laboratory, Department of Chemistry, State University of New York, Buffalo, New York 14260-3000 (United States)

    1999-08-01

    Epitaxial thin films of the Tl cuprate superconductors Tl{sub 2}Ba{sub 2}CaCu{sub 2}O{sub 8}, Tl{sub 2}Ba{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}, and Tl{sub 0.78}Bi{sub 0.22}Ba{sub 0.4}Sr{sub 1.6}Ca{sub 2}Cu{sub 3}O{sub 9{minus}{delta}} are studied with x-ray photoemission spectroscopy. These data, together with previous measurements in this lab of Tl{sub 2}Ba{sub 2}CuO{sub 6+{delta}} and TlBa{sub 2}CaCu{sub 2}O{sub 7{minus}{delta}}, comprise a comprehensive data set for a comparative study of Tl cuprates with a range of chemical and electronic properties. In the Cu 2p spectra, a larger energy separation between the satellite and main peaks (E{sub s}{minus}E{sub m}) and a lower intensity ratio (I{sub s}/I{sub m}) are found to correlate with higher values of T{sub c}. Analysis of these spectra within a simple configuration interaction model suggests that higher values of T{sub c} are related to low values of the O&hthinsp;2p{r_arrow}Cu&hthinsp;3d charge transfer energy. In the O&hthinsp;1s region, a smaller bond length between Ba and Cu-O planar oxygen is found to correlate with a lower binding energy for the signal associated with Cu-O bonding, most likely resulting from the increased polarization screening by Ba{sup 2+} ions. For samples near optimum doping, maximum T{sub c} is observed to occur when the Tl 4f{sub 7/2} binding energy is near 117.9 eV, which is near the middle of the range of values observed for Tl cuprates. Higher Tl&hthinsp;4f{sub 7/2} binding energies, corresponding to formal oxidation states nearer Tl{sup 1+}, are also found to correlate with longer bond lengths between Ba and Tl-O planar oxygen, and with higher binding energies of the O&hthinsp;1s signal associated with Tl-O bonding. {copyright} {ital 1999} {ital The American Physical Society}

  12. Comparative study of the dental substrate used in shear bond strength tests

    Directory of Open Access Journals (Sweden)

    Lopes Murilo Baena

    2003-01-01

    Full Text Available The purpose of this study was to compare shear bond strength values obtained in human enamel and dentin with the values obtained in bovine teeth using two adhesive systems with different actions. Forty human tooth half-crowns and forty bovine tooth crowns were flattened to a minimum plain area of 5 mm in diameter. The samples were divided in four groups of 20 specimens each: 1 human enamel; 2 bovine enamel; 3 human dentin; 4 bovine dentin. The samples of each group were divided in 2 subgroups of 10 samples each, according to the adhesive system used: 1 Scotchbond Multi-Purpose (SBMP; and 2 Clearfil Liner Bond 2V (CLB2V applied according to the manufacturer's recommendations. Afterwards, restorations of Z100 composite with cylindrical shape (4 mm diameter x 5 mm height were made using a metallic mold to submit the samples to shear bond testing on an Instron universal testing machine, at a crosshead speed of 0.5 mm/min. The data were submitted to ANOVA and Tukey's test (5%. In enamel, there was no statistical difference between bovine and human teeth for SBMP (7.36 MPa, human; 8.24 MPa, bovine, nor for CLB2V (10.01 MPa, human; 7.95, bovine. In dentin, SBMP showed a statistically lower mean on human dentin (7.01 MPa than on bovine dentin (11.74 MPa. For CLB2V, there was no statistical difference between human (7.43 MPa and bovine (9.27 MPa substrates.

  13. Double hydrogen bonded ferroelectric liquid crystals: A study of field induced transition (FiT)

    Science.gov (United States)

    Vijayakumar, V. N.; Madhu Mohan, M. L. N.

    2009-12-01

    A novel series of chiral hydrogen bonded liquid crystals have been isolated. Hydrogen bond was formed between chiral nonmesogen ingredient levo tartaric acid and mesogenic p-n-alkoxybenzoic acids. Phase diagram was constructed from the transition temperatures obtained by DSC and polarizing optical microscopic (POM) studies. Thermal and electrical properties exhibited by three complexes namely LTA+8BA, LTA+7BA and LTA+5BA were discussed. Salient feature of the present work was the observation of a reentrant smectic ordering in LTA+8BA complex designated as C r∗ phase. This reentrant phenomenon was confirmed by DSC thermograms, optical textures of POM and temperature variation of capacitance and dielectric loss studies. Tilt angle was measured in smectic C ∗ and reentrant smectic C r∗ phases. Another interesting feature of the present investigation was the observation of a field induced transition (FiT) in the LTA+ nBA homologous series. Three threshold field values were noticed which give rise to two new phases (E 1 and E 2) induced by electric field and on further enhancement of the applied field the mesogen behaves like an optical shutter. FiT is reversible in the sense that when applied field is removed the original texture was restored.

  14. Dynamic study of excited state hydrogen-bonded complexes of harmane in cyclohexane-toluene mixtures.

    Science.gov (United States)

    Carmona, Carmen; Balón, Manuel; Galán, Manuel; Guardado, Pilar; Muñoz, María A

    2002-09-01

    Photoinduced proton transfer reactions of harmane or 1-methyl-9H-pyrido[3,4-b]indole (HN) in the presence of the proton donor hexafluoroisopropanol (HFIP) in cyclohexane-toluene mixtures (CY-TL; 10% vol/vol of TL) have been studied. Three excited state species have been identified: a 1:2 hydrogen-bonded proton transfer complex (PTC), between the pyridinic nitrogen of the substrate and the proton donor, a hydrogen-bonded cation-like exciplex (CL*) with a stoichiometry of at least 1:3 and a zwitterionic exciplex (Z*). Time-resolved fluorescence measurements evidence that upon excitation of ground state PTC, an excited state equilibrium is established between PTC* and the cationlike exciplex, CL*, lambdaem approximately/= 390 nm. This excited state reaction is assisted by another proton donor molecule. Further reaction of CL* with an additional HFIP molecule produces the zwitterionic species, Z*, lambda(em) approximately/= 500 nm. From the analysis of the multiexponential decays, measured at different emission wavelengths and as a function of HFIP concentration, the mechanism of these excited state reactions has been established. Thus, three rate constants and three reciprocal lifetimes have been determined. The simultaneous study of 1,9-dimethyl-9H-pyrido[3,4-b]indole (MHN) under the same experimental conditions has helped to understand the excited state kinetics of these processes.

  15. Study of behavior on bonding and failure mode of pressurized and doped BWR fuel rod

    International Nuclear Information System (INIS)

    Yanagisawa, Kazuaki

    1992-03-01

    The study of transient behavior on the bonding and the failure mode was made using the pressurized/doped 8 x 8 BWR type fuel rod. The dopant was mullite minerals consisted mainly of silicon and aluminum up to 1.5 w/o. Pressurization of the fuel rod with pure helium was made to the magnitude about 0.6 MPa. As a reference, the non-pressurized/non-doped 8 x 8 BWR fuel rod and the pressurized/7 x 7 BWR fuel rod up to 0.6 MPa were prepared. Magnitude of energy deposition given to the tested fuel rods was 248, 253, and 269 cal/g·fuel, respectively. Obtained results from the pulse irradiation in NSRR are as follows. (1) It was found from the experiment that alternation of the fuel design by the adoption of pressurization up to 0.6 MPa and the use of wider gap up to 0.38 mm could avoid the dopant BWR fuel from the overall bonding. The failure mode of the present dopant fuel was revealed to be the melt combined with rupture. (2) The time of fuel failure of the pressurized/doped 8 x 8 BWR fuel defected by the melt/rupture mode is of order of two times shorter than that of the pressurized/ 7 x 7 BWR defected by the rupture mode. Failure threshold of the pressurized/doped 8 x 8 BWR BWR tended to be lower than that of non-pressurized/non-doped 8 x 8 BWR one. Cracked area of the pressurized/doped 8 x 8 BWR was more wider and magnitude of oxidation at the place is relatively larger than the other tested fuels. (3) Failure mode of the non-pressurized/ 8 x 8 BWR fuel rod was the melt/brittle accompanied with a significant bonding at failed location. While, failure mode of the pressurized/ 7 x 7 BWR fuel rod was the cladding rupture accompanied with a large ballooning. No bonding at failed location of the latter was observed. (author)

  16. Shear Bond Strength of Ceramic Brackets with Different Base Designs: Comparative In-vitro Study

    Science.gov (United States)

    Ansari, Mohd. Younus; Agarwal, Deepak K; Bhattacharya, Preeti; Ansar, Juhi; Bhandari, Ravi

    2016-01-01

    Introduction Knowledge about the Shear Bond Strength (SBS) of ceramic brackets with different base design is essential as it affects bond strength to enamel. Aim The aim of the present study was to evaluate and compare the effect of base designs of different ceramic brackets on SBS, and to determine the fracture site after debonding. Materials and Methods Four groups of ceramic brackets and one group of metal brackets with different base designs were used. Adhesive precoated base of Clarity Advanced (APC Flash-free) (Unitek/3M, Monrovia, California), microcrystalline base of Clarity Advanced (Unitek/3M, Monrovia, California), polymer mesh base of InVu (TP Orthodontics, Inc., La Porte, IN, United States), patented bead ball base of Inspire Ice (Ormco, Glendora, California), and a mechanical mesh base of Gemini Metal bracket (Unitek/3M, Monrovia, California). Ten brackets of each type were bonded to 50 maxillary premolars with Transbond XT (Unitek/3M). Samples were stored in distilled water at room temperature for 24 hours and subsequently tested in shear mode on a universal testing machine (Model 3382; Instron Corp., Canton, Massachusetts, USA) at a cross head speed of 1mm/minute with the help of a chisel. The debonded interface was recorded and analyzed to determine the predominant bond failure site under an optical microscope (Stereomicroscope) at 10X magnification. One way analysis of variance (ANOVA) was used to compare SBS. Tukey’s significant differences tests were used for post-hoc comparisons. The Adhesive Remnant Index (ARI) scores were compared by chi-square test. Results Mean SBS of microcrystalline base (27.26±1.73), was the highest followed by bead ball base (23.45±5.09), adhesive precoated base (20.13±5.20), polymer mesh base (17.54±1.91), and mechanical mesh base (17.50±2.41) the least. Comparing the frequency (%) of ARI Score among the groups, chi-square test showed significantly different ARI scores among the groups (χ2 = 34.07, pbrackets

  17. Comparative Evaluation of shear Bond Strength of universal Dental Adhesives -An in vitro study.

    Science.gov (United States)

    Jayasheel, Arun; Niranjan, Nandini; Pamidi, Hemanthkumar; Suryakanth, Mayuri B

    2017-07-01

    Patient demand for tooth colored restorations and desire for minimally invasive restorations have made composites an indispensable part of the restorative process. An important factor affecting the intra-oral performance of composite restorations is bonding. Ninty six freshly extracted molar teeth were collected and occlusal 3mm is removed using a diamond disc to expose dentine. Following with samples were divided in to two main groups (self-etch & total etch). Each main group is again sub divided in to three groups each according to bonding agent used (Tetric N- Bond Universal, Single Bond Universal, Tetric N Bond Total etch in total etch group and Clear Fill SE in self etch group). Following which bonding protocol is followed according to manufacture instructions, a composite buildup of 2x3 mm is done on each specimen and then specimen were subjected to shear bond test under universal testing machine. All the readings were noted and subjected to statistical analysis using One way ANOVA and Tukey's posthoc test. It showed that there is no significant difference among the groups in both self-etch and total etch modes. It can be concluded that application of an etching step prior to Universal Adhesives significantly improves their dentine penetration pattern, although this does not affect their mean SBS. The bond strength values of the TBU regardless of application mode were comparable to SBU making them reliable for working under different clinical conditions. Key words: Dentine bonding agents, self-etch mode, total etch mode, shear bond strength.

  18. A parametric study of surface roughness and bonding mechanisms of aluminum alloys with epoxies: a molecular dynamics simulation

    Science.gov (United States)

    Timilsina, Rajendra; Termaath, Stephanie

    The marine environment is highly aggressive towards most materials. However, aluminium-magnesium alloys (Al-Mg, specifically, 5xxx series) have exceptionally long service life in such aggressive marine environments. For instance, an Al-Mg alloy, AA5083, is extensively used in naval structures because of its good mechanical strength, formability, seawater corrosion resistance and weldability. However, bonding mechanisms of these alloys with epoxies in a rough surface environment are not fully understood yet. It requires a rigorous investigation at molecular or atomic levels. We performed a molecular dynamics simulation to study an adherend surface preparation and surface bonding mechanisms of Al-Mg alloy (AA5083) with different epoxies by developing several computer models. Various distributions of surface roughness are introduced in the models and performed molecular dynamics simulations. Formation of a beta phase (Al3Mg2) , microstructures, bonding energies at the interface, bonding strengths and durability are investigated. Office of Naval Research.

  19. A study on the compatibility between one-bottle dentin adhesives and composite resins using micro-shear bond strength.

    Science.gov (United States)

    Song, Minju; Shin, Yooseok; Park, Jeong-Won; Roh, Byoung-Duck

    2015-02-01

    This study was performed to determine whether the combined use of one-bottle self-etch adhesives and composite resins from same manufacturers have better bond strengths than combinations of adhesive and resins from different manufacturers. 25 experimental micro-shear bond test groups were made from combinations of five dentin adhesives and five composite resins with extracted human molars stored in saline for 24 hr. Testing was performed using the wire-loop method and a universal testing machine. Bond strength data was statistically analyzed using two way analysis of variance (ANOVA) and Tukey's post hoc test. Two way ANOVA revealed significant differences for the factors of dentin adhesives and composite resins, and significant interaction effect (p composite resin (p composite resin than other manufacturer's composite resin. Not all combinations of adhesive and composite resin by same manufacturers failed to show significantly higher bond strengths than mixed manufacturer combinations.

  20. Bond Issues.

    Science.gov (United States)

    Pollack, Rachel H.

    2000-01-01

    Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…

  1. Quantitative Studies on PDMS-PDMS Interface Bonding with Piranha Solution and its Swelling Effect

    Directory of Open Access Journals (Sweden)

    Choon-Lai Chiang

    2012-05-01

    Full Text Available In this paper, a low-cost yet effective method of irreversible bonding between two elastomeric polydimethylsiloxane (PDMS interfaces using Piranha solution is investigated. Piranha solutions at a weight ratio of 3:1 using different acids and hydrogen peroxide were attempted. The average tensile strengths of the device bonded with concentrated sulfuric acid-based piranha solution and nitric acid-based piranha solution were found to be 200 ± 20 kPa and 100 ± 15 kPa respectively. A PDMS surface treated with Piranha Solution demonstrated an increase in hydrophilicity. In addition, relatively straightforward swelling studies of PDMS using a weight loss method with common organic solvents were also investigated. Experimental results show that hexane, toluene, ethyl acetate, n-propyl alcohol and acetone swell PDMS significantly over a duration of up to 1 h and above; PDMS samples reached a steady state of swelling only after 5 min of immersion in other solvents. This will enable researchers to develop devices for the future according to the interaction between the material and the solvents in contact.

  2. Guided ion beam and theoretical studies of the bond energy of SmS+

    Science.gov (United States)

    Armentrout, P. B.; Demireva, Maria; Peterson, Kirk A.

    2017-12-01

    Previous work has shown that atomic samarium cations react with carbonyl sulfide to form SmS+ + CO in an exothermic and barrierless process. To characterize this reaction further, the bond energy of SmS+ is determined in the present study using guided ion beam tandem mass spectrometry. Reactions of SmS+ with Xe, CO, and O2 are examined. Results for collision-induced dissociation processes with all three molecules along with the endothermicity of the SmS+ + CO → Sm+ + COS exchange reaction are combined to yield D0(Sm+-S) = 3.37 ± 0.20 eV. The CO and O2 reactions also yield a SmSO+ product, with measured endothermicities that indicate D0(SSm+-O) = 3.73 ± 0.16 eV and D0(OSm+-S) = 1.38 ± 0.27 eV. The SmS+ bond energy is compared with theoretical values characterized at several levels of theory, including CCSD(T) complete basis set extrapolations using all-electron basis sets. Multireference configuration interaction calculations with explicit spin-orbit calculations along with composite thermochemistry using the Feller-Peterson-Dixon method and all-electron basis sets were also explored for SmS+, and for comparison, SmO, SmO+, and EuO.

  3. Using social bonding theory to examine 'recovery' in a forensic mental health hospital: A qualitative study.

    Science.gov (United States)

    Nijdam-Jones, Alicia; Livingston, James D; Verdun-Jones, Simon; Brink, Johann

    2015-07-01

    For people living with mental illness, recovery involves learning to overcome and manage their symptoms and striving to live fulfilling lives. The literature on achieving recovery emphasises the importance of social connections and positive role models. Hirschi's social bonding theory posits that an individual's attachment to others, belief in social norms, and their commitment and involvement in conventional activities are the major contributors to normalising social behaviour. The aim of this study is to understand the qualities of service identified by patients in a forensic hospital as being important and meaningful to recovery. Semi-structured interviews with 30 inpatients in a forensic mental health hospital in British Columbia, Canada, were audio recorded, and the transcriptions were analysed using thematic analysis. Five themes emerged: involvement in programmes, belief in rules and social norms, attachment to supportive individuals, commitment to work-related activities and concern about indeterminacy of stay. The first four themes map closely onto Hirschi's criminologically derived social bonding theory; however, indeterminacy of stay also arose as a common theme. In addition, the theory was too simple in its separation of elements; our data suggested the complex integration of themes. Our findings may be useful for informing evaluation of forensic mental health services. Copyright © 2014 John Wiley & Sons, Ltd.

  4. Corrosion Mechanism and Bond-Strength Study on Galvanized Steel in Concrete Environment

    Energy Technology Data Exchange (ETDEWEB)

    Kouril, M.; Pokorny, P.; Stoulil, J. [University of Chemistry and Technology, Prague (Czech Republic)

    2017-04-15

    Zinc coating on carbon steels give the higher corrosion resistance in chloride containing environments and in carbonated concrete. However, hydrogen evolution accompanies the corrosion of zinc in the initial activity in fresh concrete, which can lead to the formation of a porous structure at the reinforcement -concrete interface, which can potentially reduce the bond-strength of the reinforcement with concrete. The present study examines the mechanism of the corrosion of hot-dip galvanized steel in detail, as in the model pore solutions and real concrete. Calcium ion plays an important role in the corrosion mechanism, as it prevents the formation of passive layers on zinc at an elevated alkalinity. The corrosion rate of galvanized steel decreases in accordance with the exposure time; however, the reason for this is not the zinc transition into passivity, but the consumption of the less corrosion-resistant phases of hot-dip galvanizing in the concrete environment. The results on the electrochemical tests have been confirmed by the bond-strength test for the reinforcement of concrete and by evaluating the porosity of the cement adjacent to the reinforcement.

  5. A Study on the Cost of Issuing Social Healthcare Corporation Bonds.

    Science.gov (United States)

    Fukunaga, Hajime; Yamauchi, Kazunobu

    2015-07-01

    The "Social Healthcare Corporation" system was established on 1 April 2007 as a result of the revised Japanese Medical Care Law. As of 1 October 2014, 234 corporations are certified Social Healthcare Corporations. These corporations are allowed to issue public bonds. However, to this day (1 December 2014), no bonds have been issued. In this paper, we focus on cost analysis with respect to issuing public bonds.

  6. The paediatric wrist revisited - findings of bony depressions in healthy children on radiographs compared to MRI

    International Nuclear Information System (INIS)

    Avenarius, Derk M.F.; Eldevik, Petter; Ording Mueller, Lil-Sofie; Owens, Catherine M.; Rosendahl, Karen

    2012-01-01

    The presence of erosions is used for diagnosis and monitoring of disease activity in juvenile idiopathic arthritis (JIA). Assessment of carpal bone erosions in children is challenging due to lack of normal references. To define normal appearances of bony depressions in the wrist on radiographs and MRI. MRI and radiography of the wrist were performed in 88 healthy children, 5-15 years of age. We assessed the number of bony depressions within the carpals/proximal metacarpals on both modalities, separately and combined. A total of 75 carpal depressions were identified on radiography compared to 715 on MRI. The number of bony depressions identified radiographically showed no statistically significant difference across age-groups. Within the metacarpals, there was no significant difference between bony depressions identified by MRI or radiography, except at the bases of the second metacarpal. Bony depressions that resemble erosions are normal findings in the wrist in children. MRI identifies more depressions than radiographs in the carpus. Some bony depressions occur at typical locations and should be accounted for when assessing the wrist in JIA to avoid overstaging. (orig.)

  7. Metal, bond energy, and ancillary ligand effects on actinide-carbon σ-bond hydrogenolysis. A kinetic and mechanistic study

    International Nuclear Information System (INIS)

    Lin, Z.; Marks, T.J.

    1987-01-01

    A kineticmechanistic study of actinide hydrocarbyl ligand hydrogenolysis (An-R + H 2 → An-H + RH) is reported. For the complex Cp' 2 TH(CH 2 -t-Bu)(O-t-Bu)(Cp' = eta 5 -Me 5 C 5 ), the rate law is first-order in organoactinide and first-order in H 2 , with k/sub H2/k/sub D2/ = 2.5 (4) and k/sub THF/k/sub toluene/ = 2.9 (4). For a series of complexes, hydrogenolysis rates span a range of ca. 10 5 with Cp' 2 ThCH 2 C(CH 3 ) 2 CH 2 ≅ Cp' 2 U(CH 2 -t-Bu) (too rapid to measure accurately) > Cp' 2 Th(CH 2 -t-Bu)[OCH(t-Bu) 2 ] = Cp' 2 Th(CH 2 -t-Bu)(O-t-Bu) > Cp' 2 Th(CH 2 -t-Bu)(Cl) > Me 2 Si(Me 4 C 5 ) 2 Th(n-Bu) 2 > Cp' 2 Th(n-Bu) 2 ≅ Cp' 2 ThMe 2 > Cp' 2 Th(Me)(O 3 SCF 3 ) > Cp' 2 Th(n-Bu)[OCG(t-Bu) 2 ] ≅ Cp' 2 Th(Me)[OSiMe 2 (t-Bu)] > Cp' 2 ZrMe 2 = Cp' 2 Th(rho-C 6 H 4 NMe 2 )(O-tu-Bu) > Cp' 2 Th(Ph)(O-t-Bu) > Cp' 2 U(Me)[OCH(t-Bu) 2 ] > Cp' 2 Th(Me)[OCH(t-Bu) 2 ]. In the majority of cases, the rate law is cleanly first-order in organoactinide over 3 or more half-lives. However, for Cp' 2 ThMe 2 → (Cp' 2 ThH 2 ) 2 , an intermediate is observe by NMR that is probably [Cp' 2 Th(Me)(μ-H)] 2 . For Cp' 2 Th(Me)(O 3 SCF 3 ), a follow-up reaction, which consumes Cp' 2 TH(H)(O 3 SCF 3 ) is detected. Variable-temperature kinetic studies yield ΔH** = 3.7 (2) kcalmol and ΔS double dagger = -50.8 (7) eu for Cp' 2 Th(CH 2 -t-Bu)(O-t-Bu) and ΔH double dagger = 9 (2) kcalmol and ΔS double dagger = -45 (5) eu for Cp' 2 U(Me)[OCH(O-t-Bu) 2

  8. A modified bonded-interface technique with improved features for studying indentation damage of materials

    International Nuclear Information System (INIS)

    Low, I.M.

    1998-01-01

    A modified 'bonded-interface' technique with improved features for studying contact damage of ceramic (Al 2 O 3 graded Al 2 TiO 5 /Al 2 O 3 , Ti 3 SiC 2 ) and non-ceramic (epoxy, tooth) materials is developed and compared with the conventional method. This technique enables the surface damage around and below an indentor to be studied. When used in conjunction with Nomarski illumination and atomic force microscopy, this technique can reveal substantial information on the topography of indentation surface damage. In particular, it is ideal for monitoring the evolution of deformation-micro fracture damage of quasi-plastic materials. The technique is much less sophisticated, less time consuming, and user-friendly. It does not require a highly experience user to be proficient in the procedure. When compared with the conventional tool- clamp method, this modified technique gives similar, if not, identical results. Copyright (1998) Australasian Ceramic Society

  9. Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-06

    The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustrate the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.

  10. A contribution to the study of metal-ceramic bonding by direct vacuum brazing with reactive metals

    International Nuclear Information System (INIS)

    Guimaraes, A.S.

    1988-01-01

    Wettability and bonding tests were utilized to evaluate the behaviour of various specials alloys, for work at high temperature under vacuum, for the inter-bonding of silicon carbide, alumina ceramic, graphite (for electrical applications) and petroleum coke and their joining with themselves as the metals titanium, molybdenum, nickel and copper. The joints exhibiting effective bonding were investigated by means of optical microscopy, scanning electron microscopy and X-rays diffraction. Elemental mapping of the constituents and quantitative chemical microanalysis were also undertaken, via the energy dispersive analysis of X-rays (SEM/EDS). On the basis of the results the possible mechanisms of bond-formation have been discussed. It was verified that: a) of the filler metals studied, those which exhibited effective wettability on all the above materials were: 49Cu-49Ti-2Be, Zircaloy4-5Be and a commercial alloy Ticusil, which consisted of a Cu-Ag eutectic with a small addition of pure Ti, of nominal composition 26.7Cu-68.8Ag-4.5Ti; b) the alloys with high levels of reactive metals such as Ti and Zr tended to form low ductility bonds due to the formation of hard, brittle phases; c) the copper suffered pronounced erosion when in direct contact with alloys of high Ti and Zr contents, due to the formation of phases whose melting points were below the brazing temperature of those materials; e) the compounds detected as reaction products were identified as, TiC in the samples rich in carbon, such as the SiC ceramic and graphite joints, or the oxides Cu2Ti2O5 and Cu3TiO4 in the bonding of alumina to alloys including Ti in their composition or in that of the filler metal, proving that the effectiveness of the bond is dependent upon an initial and indispensable chemical bonding. (author)

  11. Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes

    Science.gov (United States)

    Oliveira, Vytor; Cremer, Dieter

    2017-08-01

    Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting with halogen-donors. The local stretching force constants of the metal-halogen interactions reveal a smooth transition from weak non-covalent halogen bonding to non-classical 3-center-4-electron bonding and finally covalent metal-halide bonding. The strongest halogen bonds are found for dialkylaurates interacting with Cl2 or FCl. Differing trends in the intrinsic halogen-metal bond strength, the binding energy, and the electrostatic potential are explained.

  12. Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid

    International Nuclear Information System (INIS)

    Hanna, Gabriel; Geva, Eitan

    2010-01-01

    The signature of hydrogen-bond strength on the one- and two-dimensional infrared spectra of the hydrogen-stretch in a hydrogen-bonded complex dissolved in a polar liquid was investigated via mixed quantum-classical molecular dynamics simulations. Non-Condon effects were found to intensify with increasing hydrogen-bond strength and to shift oscillator strength from the stable configurations that correspond to the ionic and covalent tautomers into unstable configurations that correspond to the transition-state between them. The transition-state peak is observed to blue shift and increase in intensity with increasing hydrogen-bond strength, and to dominate the spectra in the case of a strong hydrogen-bond. It is argued that the application of multidimensional infrared spectroscopy in the region of the transition-state peak can provide a uniquely direct probe of the molecular events underlying breaking and forming of hydrogen-bonds in the condensed phase.

  13. Local electronic and geometrical structures of hydrogen-bonded complexes studied by soft X-ray spectroscopy

    International Nuclear Information System (INIS)

    Luo, Y.

    2004-01-01

    Full text: The hydrogen bond is one of the most important forms of intermolecular interactions. It occurs in all-important components of life. However, the electronic structures of hydrogen-bonded complexes in liquid phases have long been difficult to determine due to the lack of proper experimental techniques. In this talk, a recent joint theoretical and experimental effort to understand hydrogen bonding in liquid water and alcohol/water mixtures using synchrotron radiation based soft-X-ray spectroscopy will be presented. The complexity of the liquid systems has made it impossible to interpret the spectra with physical intuition alone. Theoretical simulations have thus played an essential role in understanding the spectra and providing valuable insights on the local geometrical and electronic structures of these liquids. Our study sheds light on a 40-year controversy over what kinds of molecular structures are formed in pure liquid methanol. It also suggests an explanation for the well-known puzzle of why alcohol and water do not mix completely: the system must balance nature's tendency toward greater disorder (entropy) with the molecules' tendency to form hydrogen bonds. The observation of electron sharing and broken hydrogen bonding local structures in liquid water will be presented. The possible use of X-ray spectroscopy to determinate the local arrangements of hydrogen-bonded nanostructures will also been discussed

  14. Structural and phonon transmission study of Ge-Au-Ge eutectically bonded interfaces

    International Nuclear Information System (INIS)

    Knowlton, W.B.; Lawrence Berkeley Lab., CA

    1995-07-01

    This thesis presents a structural analysis and phonon transparency investigation of the Ge-Au-Ge eutectic bond interface. Interface development was intended to maximize the interfacial ballistic phonon transparency to enhance the detection of the dark matter candidate WIMPs. The process which was developed provides an interface which produces minimal stress, low amounts of impurities, and insures Ge lattice continuity through the interface. For initial Au thicknesses of greater than 1,000 angstrom Au per substrate side, eutectic epitaxial growth resulted in a Au dendritic structure with 95% cross sectional and 90% planar Au interfacial area coverages. In sections in which Ge bridged the interface, lattice continuity across the interface was apparent. Epitaxial solidification of the eutectic interface with initial Au thicknesses < 500 A per substrate side produced Au agglomerations thereby reducing the Au planar interfacial area coverage to as little as 30%. The mechanism for Au coalescence was attributed to lateral diffusion of Ge and Au in the liquid phase during solidification. Phonon transmission studies were performed on eutectic interfaces with initial Au thicknesses of 1,000 angstrom, 500 angstrom, and 300 angstrom per substrate side. Phonon imaging of eutectically bonded samples with initial Au thicknesses of 300 angstrom/side revealed reproducible interfacial percent phonon transmissions from 60% to 70%. Line scan phonon imaging verified the results. Phonon propagation TOF spectra distinctly showed the predominant phonon propagation mode was ballistic. This was substantiated by phonon focusing effects apparent in the phonon imaging data. The degree of interface transparency to phonons and resulting phonon propagation modes correlate with the structure of the interface following eutectic solidification. Structural studies of samples with initial Au thickness of 1,000 angstrom/side appear to correspond with the phonon transmission study

  15. Structural and phonon transmission study of Ge-Au-Ge eutectically bonded interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Knowlton, W.B. [Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering]|[Lawrence Berkeley Lab., CA (United States). Materials Sciences Div.

    1995-07-01

    This thesis presents a structural analysis and phonon transparency investigation of the Ge-Au-Ge eutectic bond interface. Interface development was intended to maximize the interfacial ballistic phonon transparency to enhance the detection of the dark matter candidate WIMPs. The process which was developed provides an interface which produces minimal stress, low amounts of impurities, and insures Ge lattice continuity through the interface. For initial Au thicknesses of greater than 1,000 {angstrom} Au per substrate side, eutectic epitaxial growth resulted in a Au dendritic structure with 95% cross sectional and 90% planar Au interfacial area coverages. In sections in which Ge bridged the interface, lattice continuity across the interface was apparent. Epitaxial solidification of the eutectic interface with initial Au thicknesses < 500 A per substrate side produced Au agglomerations thereby reducing the Au planar interfacial area coverage to as little as 30%. The mechanism for Au coalescence was attributed to lateral diffusion of Ge and Au in the liquid phase during solidification. Phonon transmission studies were performed on eutectic interfaces with initial Au thicknesses of 1,000 {angstrom}, 500 {angstrom}, and 300 {angstrom} per substrate side. Phonon imaging of eutectically bonded samples with initial Au thicknesses of 300 {angstrom}/side revealed reproducible interfacial percent phonon transmissions from 60% to 70%. Line scan phonon imaging verified the results. Phonon propagation TOF spectra distinctly showed the predominant phonon propagation mode was ballistic. This was substantiated by phonon focusing effects apparent in the phonon imaging data. The degree of interface transparency to phonons and resulting phonon propagation modes correlate with the structure of the interface following eutectic solidification. Structural studies of samples with initial Au thickness of 1,000 {angstrom}/side appear to correspond with the phonon transmission study.

  16. Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR)

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Justine P. [Johns Hopkins Univ., Baltimore, MD (United States)

    2015-03-03

    Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR) Research during the project period focused primarily on mechanisms of water oxidation by structurally defined transition metal complexes. Competitive oxygen isotope fractionation of water, mediated by oxidized precursors or reduced catalysts together with ceric, Ce(IV), ammonium nitrate in aqueous media, afforded oxygen-18 kinetic isotope effects (O-18 KIEs). Measurement, calculation, and interpretation of O-18 KIEs, described in the accompanying report has important ramifications for the production of electricity and solar hydrogen (as fuel). The catalysis division of BES has acknowledged that understanding mechanisms of transition metal catalyzed water oxidation has major ramifications, potentially leading to transformation of the global economy and natural environment in years to come. Yet, because of program restructuring and decreased availability of funds, it was recommended that the Solar Photochemistry sub-division of BES would be a more appropriate parent program for support of continued research.

  17. Chemical Bond Energies of 3d Transition Metals Studied by Density Functional Theory

    DEFF Research Database (Denmark)

    Moltved, Klaus A.d; Kepp, Kasper P.

    2018-01-01

    Despite their vast importance to inorganic chemistry, materials science and catalysis, the accuracy of modelling the formation or cleavage of metal-ligand (M-L) bonds depends greatly on the chosen functional and the type of bond in a way that is not systematically understood. In order to approach...

  18. The study of forms of bonding marshmallow moisture with different composition by method of thermal analysis

    Directory of Open Access Journals (Sweden)

    G. O. Magomedov

    2017-01-01

    Full Text Available Marshmallow is a sugar confectionary product with increased sugar content and energy value because of the significant content of carbohydrates, in particular sugar-sand. The main drawback of marshmallow is the rapid process of its drying during storage due to the crystallization of sucrose and the gradual removal of moisture from the product. A method for obtaining marshmallow without sugar on the basis of high-conversion glucose syrup. In the work, experimental studies were carried out to determine the content and ratio of free and bound forms of moisture in marshmallow on the basis of sugars and on the basis of  high-conversion glucose syrup by Differential Scanning Calorimetry (DSC and Thermogravimetry (TG. To study the patterns of thermal effects on the properties of marshmallow samples, the non-isothermal analysis method and the synchronous thermal analysis instrument (TG-DTA / DSC of the STA 449 F3 Jupiter were used. In the process of thermal exposure, the samples decompose sugars and other organic compounds, as a result of which the sample weight decreases due to evaporation of moisture. The process of dehydration in a control sample of marshmallow using sugar occurs in a less wide temperature range than in a sample of marshmallow on the basis of  high-conversion glucose syrup, which indicates a greater degree of moisture bonding in the developed sample. A quantitative evaluation of the forms of moisture bonding in the samples was carried out using the experimental curves obtained by the TG method. From the temperature curves, the endothermic effects were determined, which correspond to the release of moisture with different forms and energies. Substitution of sugar for treacle in the formula of marshmallow reduces the share of free moisture and increases the safety of the product without signs of staling.

  19. Analytical and numerical study concerning the behaviour of single-sided bonded patch repairs

    Directory of Open Access Journals (Sweden)

    Gheorghi OPATCHI

    2011-06-01

    Full Text Available Adhesive bonded joints are used in the assembling of structural parts, especially of those which are made from dissimilar materials. Lightweight fibre reinforced polymer composites and other adhesive bonded components represent a major proportion of a modern aircraft. Bonded patch repair technology has been widely used to repair cracked thin-walled structures to extend their service life, because a correctly executed repair significantly enhances the structural performance.In practice, the single-sided bonded patch repair is the most used because a good solution like the double-sided repair may not be an option if the access to the structure is only available from one side.This paper presents a relatively simple and effective design procedure for the single strapped bonded joints. Also, the influence of various geometrical parameters of the joint is evaluated. The analytical development is validated based on nonlinear finite element analyses.

  20. Blue-shifted and red-shifted hydrogen bonds: Theoretical study of the CH3CHO· · ·HNO complexes

    Science.gov (United States)

    Yang, Yong; Zhang, Weijun; Gao, Xiaoming

    The blue-shifted and red-shifted H-bonds have been studied in complexes CH3CHO?HNO. At the MP2/6-31G(d), MP2/6-31+G(d,p) MP2/6-311++G(d,p), B3LYP/6-31G(d), B3LYP/6-31+G(d,p) and B3LYP/6-311++G(d,p) levels, the geometric structures and vibrational frequencies of complexes CH3CHO?HNO are calculated by both standard and CP-corrected methods, respectively. Complex A exhibits simultaneously red-shifted C bond H?O and blue-shifted N bond H?O H-bonds. Complex B possesses simultaneously two blue-shifted H-bonds: C bond H?O and N bond H?O. From NBO analysis, it becomes evident that the red-shifted C bond H?O H-bond can be explained on the basis of the two opposite effects: hyperconjugation and rehybridization. The blue-shifted C bond H?O H-bond is a result of conjunct C bond H bond strengthening effects of the hyperconjugation and the rehybridization due to existence of the significant electron density redistribution effect. For the blue-shifted N bond H?O H-bonds, the hyperconjugation is inhibited due to existence of the electron density redistribution effect. The large blue shift of the N bond H stretching frequency is observed because the rehybridization dominates the hyperconjugation.

  1. The effect of pre-cure bracket movement on shear bond strength during placement of orthodontic brackets, an in vitro study.

    Science.gov (United States)

    Tam, Byron; Bollu, Prashanti; Chaudhry, Kishore; Subramani, Karthikeyan

    2017-10-01

    The purpose of this study was to determine the influence of linear and rotational pre-cure bracket displacement during the bonding procedure on shear bond strength (SBS) of orthodontic brackets. Stainless steel orthodontic premolar brackets were bonded to the buccal surfaces of 50 human pre-molars with a conventional two-step bonding protocol. Extracted human pre-molars were divided into 5 groups (n=10/group). In the Control Group, the brackets were bonded with no pre-cure bracket displacement or rotation. The Rotation Group was bonded with 45 degrees of pre-cure rotation. The Displacement Group was bonded with 2mm pre-cure linear displacement. The Rotation-Displacement Group was bonded with pre-cure movements of 45º counter-clockwise rotation and 2mm displacement. The Slippage Group was bonded with 2mm each of mesial and distal pre-cure linear displacement. Photo-activation was carried out on the lateral sides of the bracket. Shear debonding force was measured, 24 hours after initial bonding, with an Instron universal testing machine using a knife-edged chisel. Data was analyzed using one-way ANOVA test. Adhesive Remnant Index (ARI) was scored under 15x magnification. The ARI data was analyzed using the Chi-square test ( p -value bracket displacements do not appear to effect the shear bond strength of orthodontic brackets. Key words: Shear bond strength, orthodontic bracket, displacement, rotation, adhesive remnant index, pre-cure movement.

  2. Evaluation of bond strength and load deflection rate of multi-stranded fixed retainer wires: An In-Vitro Study

    Directory of Open Access Journals (Sweden)

    Renu Sarah Samson

    2018-01-01

    Full Text Available Background: Fixed orthodontic retainers must be well retained on the tooth surfaces, allow physiologic movement of teeth and exert minimal forces on the teeth to be retained. Previous studies analyzed the bond strength and amount of deflection caused due to the debonding force but not the magnitude of force needed for unit deformation. Aims: This study aims to evaluate and compare the bond strength and load deflection rate (LDR of three different fixed retainer wires. Materials and Methods: The wires were divided into three Groups: A – three-stranded twisted ligature wire, B – Bond-A-Braid (Reliance Orthodontics, and C – three-stranded twisted lingual retainer wire (3M Unitek. Twenty models were prepared for each group with a passive 15 mm long lingual retainer wire bonded to two lower incisors. An occlusogingival force was applied to the wire until it debonded. For LDR, three-point bending test was done at 0.5 mm deflection. These forces were measured using a Universal Instron Testing Machine. Statistical Analysis: Mean bond strength/LDR and pairwise comparisons were analyzed with one-way ANOVA and Tukey's honest significant difference post hoc test, respectively. Results: Group C exhibited the highest mean bond strength and LDR of 101.17N and 1.84N, respectively. The intergroup comparisons were all statistically significant. Conclusion: Compared to the other two wire types, Group C might be better retained on the teeth due to its higher bond strength. With its relatively higher LDR value, it may resist deformation from occlusal forces, thereby reducing inadvertent tooth movement and yet remain flexible enough to allow physiologic tooth movements.

  3. Study of the structure and chemical bonding of crystalline Ge_4Sb_2Te_7 using first principle calculations

    International Nuclear Information System (INIS)

    Singh, Janpreet; Singh, Satvinder; Tripathi, S. K.; Singh, Gurinder; Kaura, Aman

    2016-01-01

    The atomic arrangements and chemical bonding of stable Ge_4Sb_2Te_7 (GeTe rich), a phase-change material, have been investigated by means of ab initio total energy calculations. To study the atomic arrangement, GeTe block is considered into -TeSbTeSbTe- block and -Te-Te- layer in the stacking I and II respectively. The stacking I is energetically more stable than the stacking II. The reason for more stability of the stacking I has been explained. The chemical bonding has been studied with the electronic charge density distribution around the atomic bonds. The quantity of electronic charge loosed or gained by atoms has been calculated using the Bader charge analysis. The metallic character has been studied using band structures calculations. The band gap for the stacking I and II is 0.463 and 0.219 eV respectively.

  4. Usulan Pengembangan Komunikasi Pemasaran Melalui Strategi Customer Bonding (Studi Kasus : Supermarket Hero di Jakarta

    Directory of Open Access Journals (Sweden)

    Ronald Sukwadi

    2012-03-01

    Full Text Available The consequence of competition is the decrease of the number of customers which causes Hero Supermarket closed down several of its outlets. This decrease is also caused by the existence of internal issue of marketing communication (promotion which lacked a strong concept. The ineffective selection of communication channel which in turn fails to conform the activity to the public. For that, the identification in marketing communication activity through Customer Bonding strategy is needed. Through marketing communication program assessment with Customer Bonding (Awareness Bonding, Relationship Bonding, and Advocacy Bonding, intensity of marketing communication problem can be identified, through survey assessment (management and costumer, analyzed with statistical testing like validity and reliability test, Spearman Correlation test and Cross tab test. The questionnaires will be given to 13 respondents from Hero Management by using quota sampling and 100 customers using stratified sampling.               Through marketing communication program assessment using Customer Bonding, marketing communication intensity and correlation analysis between marketing communication program and consumer loyalty are obtained. From this analysis, it is shown that there is noise in marketing communication that influences information sending to customer. Hero must maintain marketing communication program which focuses in marketing program that have competitive advantages. Beside that, evaluation has always to be done in order to improve customer loyalty. Keywords: communication, customer bonding, loyalty

  5. Theoretical study of ZnO adsorption and bonding on Al2O3 (0001) surface

    Institute of Scientific and Technical Information of China (English)

    LI Yanrong; YANG Chun; XUE Weidong; LI Jinshan; LIU Yonghua

    2004-01-01

    ZnO adsorption on sapphire (0001) surface is theoretically calculated by using a plane wave ultrasoft pseudo-potential method based on ab initio molecular dynamics. The results reveal that the surface relaxation in the first layer Al-O is reduced, even eliminated after the surface adsorption of ZnO, and the chemical bonding energy is 434.3(±38.6) kJ·mol-1. The chemical bond of ZnO (0.185 ± 0.01 nm) has a 30° angle away from the adjacent Al-O bond, and the stable chemical adsorption position of the Zn is deflected from the surface O-hexagonal symmetry with an angle of about 30°. The analysis of the atomic populations, density of state and bonding electronic density before and after the adsorption indicates that the chemical bond formed by the O2- of the ZnO and the surface Al3+ has a strong ionic bonding characteristic, while the chemical bond formed by the Zn2+ and the surface O2- has an obvious covalent characteristic, which comes mainly from the hybridization of the Zn 4s and the O 2p and partially from that of the Zn 3d and the O 2p.

  6. SU-E-J-94: Positioning Errors Resulting From Using Bony Anatomy Alignment for Treating SBRT Lung Tumor

    International Nuclear Information System (INIS)

    Frame, C; Ding, G

    2014-01-01

    Purpose: To quantify patient setups errors based on bony anatomy registration rather than 3D tumor alignment for SBRT lung treatments. Method: A retrospective study was performed for patients treated with lung SBRT and imaged with kV cone beam computed tomography (kV-CBCT) image-guidance. Daily CBCT images were registered to treatment planning CTs based on bony anatomy alignment and then inter-fraction tumor movement was evaluated by comparing shift in the tumor center in the medial-lateral, anterior-posterior, and superior-inferior directions. The PTV V100% was evaluated for each patient based on the average daily tumor displacement to assess the impact of the positioning error on the target coverage when the registrations were based on bony anatomy. Of the 35 patients studied, 15 were free-breathing treatments, 10 used abdominal compression with a stereotactic body frame, and the remaining 10 were performed with BodyFIX vacuum bags. Results: For free-breathing treatments, the range of tumor displacement error is between 1–6 mm in the medial-lateral, 1–13 mm in the anterior-posterior, and 1–7 mm in the superior-inferior directions. These positioning errors lead to 6–22% underdose coverage for PTV - V100% . Patients treated with abdominal compression immobilization showed positional errors of 0–4mm mediallaterally, 0–3mm anterior-posteriorly, and 0–2 mm inferior-superiorly with PTV - V100% underdose ranging between 6–17%. For patients immobilized with the vacuum bags, the positional errors were found to be 0–1 mm medial-laterally, 0–1mm anterior-posteriorly, and 0–2 mm inferior-superiorly with PTV - V100% under dose ranging between 5–6% only. Conclusion: It is necessary to align the tumor target by using 3D image guidance to ensure adequate tumor coverage before performing SBRT lung treatments. The BodyFIX vacuum bag immobilization method has the least positioning errors among the three methods studied when bony anatomy is used for

  7. Estimation of strength in different extra Watson-Crick hydrogen bonds in DNA double helices through quantum chemical studies.

    Science.gov (United States)

    Bandyopadhyay, D; Bhattacharyya, D

    2006-10-15

    It was shown earlier, from database analysis, model building studies, and molecular dynamics simulations that formation of cross-strand bifurcated or Extra Watson-Crick hydrogen (EWC) bonds between successive base pairs may lead to extra rigidity to DNA double helices of certain sequences. The strengths of these hydrogen bonds are debatable, however, as they do not have standard linear geometry criterion. We have therefore carried out detailed ab initio quantum chemical studies using RHF/6-31G(2d,2p) and B3LYP/6-31G(2p,2d) basis sets to determine strengths of several bent hydrogen bonds with different donor and acceptors. Interaction energy calculations, corrected for the basis set superposition errors, suggest that N-H...O type bent EWC hydrogen bonds are possible along same strands or across the strands between successive base pairs, leading to significant stability (ca. 4-9 kcal/mol). The N-H...N and C-H...O type interactions, however, are not so stabilizing. Hence, consideration of EWC N-H...O H-bonds can lead to a better understanding of DNA sequence directed structural features. Copyright (c) 2006 Wiley Periodicals, Inc.

  8. Study of Diffusion Bonding of 45 Steel through the Compacted Nickel Powder Layer

    Science.gov (United States)

    Zeer, G. M.; Zelenkova, E. G.; Temnykh, V. I.; Tokmin, A. M.; Shubin, A. A.; Koroleva, Yu. P.; Mikheev, A. A.

    2018-02-01

    The microstructure of the transition zone and powder spacer, the concentration distribution of chemical elements over the width of the diffusion-bonded joint, and microhardness of 45 steel-compacted Ni powder spacer-45 steel layered composites formed by diffusion bonding have been investigated. It has been shown that the relative spacer thickness χ compacting pressure of 500 MPa. The solid-state diffusion bonding is accompanied by sintering the nickel powder spacer and the formation of the transition zone between the spacer and steel. The transition zone consists of solid solution of nickel in the α-Fe phase and ordered solid solution of iron in nickel (FeNi3).

  9. Bond and Equity Home Bias and Foreign Bias: an International Study

    OpenAIRE

    VanPée, Rosanne; De Moor, Lieven

    2012-01-01

    In this paper we explore tentatively and formally the differences between bond and equity home bias and foreign bias based on one large scale dataset including developed and emerging markets for the period 2001 to 2010. We set the stage by tentatively and formally linking the diversion of bond and equity home bias in OECD countries to the increasing public debt issues under the form of government bonds i.e. the supply-driven argument. Unlike Fidora et al. (2007) we do not find that exchange r...

  10. SU-E-J-33: Comparison Between Soft Tissue Alignment and Bony Alignment for Pancreatic Cancer Radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Suh, Y; Crane, C; Krishnan, S; Das, P; Koay, E; Beddar, S [UT MD Anderson Cancer Center, Houston, TX (United States)

    2015-06-15

    Purpose An IGRT modality for pancreatic cancer treatment with dose escalation at our institution is in-room daily CT imaging. The purpose of this study is to assess the difference between soft tissue alignment and bony alignment for pancreatic tumor localization. Methods Eighteen patients with pancreatic tumors who underwent IMRT treatment with an inspiration breath-hold technique between July 2012 and February 2015 are included in this study. Prior to each treatment, a CT scan was acquired. The CT image guidance started with auto-alignment to either the bony anatomy (vertebral bodies) or fiducials (for the six patients with the stent in/near the tumor) and then, when necessary, manual adjustments were made based on soft tissue alignment using clinical software (CT-Assisted Targeting system). The difference between soft tissue alignment and bony/fiducial alignment was evaluated. Results Of all 380 treatments, manual adjustment was made in 225 treatments, ranging from 11% (3 treatments out of 28) to 96% (27 treatments out of 28) per patient. The mean of the difference between soft tissue alignment and bony/fiducial alignment per patient ranged from −3.6 to 0.3 mm, −1.5 to 2.8 mm, and −3.3 to 3.4 mm in the AP, SI, and RL directions, respectively. The maximum difference over all treatments was −9.5, −14.6, and −14.6 mm in the AP, SI, and RL directions, respectively. Conclusion About 60% of the time, manual adjustment based on soft tissue alignment was required. The extent of manual adjustment was usually small but varied significantly from patient to patient. The ultimate goal of the IGRT modality using daily CT imaging is not to fully cover the target but to spare organs-at-risk as much as possible to avoid them moving into higher dose gradients than accepted in the treatment plan. To this end, manual adjustment based on soft tissue alignment is critically important.

  11. Arthroscopic Suture Anchor Fixation of Bony Bankart Lesions: Clinical Outcome, Magnetic Resonance Imaging Results, and Return to Sports.

    Science.gov (United States)

    Plath, Johannes E; Feucht, Matthias J; Bangoj, Robert; Martetschläger, Frank; Wörtler, Klaus; Seppel, Gernot; Aboalata, Mohamed; Tischer, Thomas; Imhoff, Andreas B; Vogt, Stephan

    2015-08-01

    The purpose of this study was to evaluate the outcome, return to sporting activity, and postoperative articular cartilage and bony morphology of shoulders that underwent arthroscopic suture anchor repair of bony Bankart lesions. The inclusion criteria for this retrospective study were anterior glenoid rim fractures after traumatic shoulder instability that were treated with arthroscopic suture anchor repair. Patients were surveyed by a questionnaire including sport-specific outcome, Rowe score, Western Ontario Shoulder Instability Index, and Oxford Instability Score. Three-tesla magnetic resonance imaging could be performed in 30 patients to assess osseous integration, glenoid reconstruction, and signs of osteoarthritis. From November 1999 to April 2010, 81 patients underwent an anterior bony Bankart repair in our department (50 arthroscopic suture anchor repairs, 5 arthroscopic screw fixations, and 26 open repairs). The 55 arthroscopic repairs comprised a consecutive cohort of patients treated by a single surgeon. Of the 50 patients in the suture anchor group, 45 (90%) were available for evaluation. At 82 ± 31 months postoperatively, the mean Rowe score was 85.9 ± 20.5 points, the mean Western Ontario Shoulder Instability Index score was 89.4% ± 14.7%, and the mean Oxford Instability Score was 13.6 ± 5.4 points. Compared with the contralateral shoulder, all scores showed a significantly reduced outcome (P sporting activity after surgery. The number of sports disciplines (P < .001), duration (P = .005), level (P = .02), and risk category (P = .013) showed a significant reduction compared with the pretrauma condition. However, only 19% of patients reported that shoulder complaints were the reason for the reduction in activity. Nonunion occurred in 16.6%, with a higher frequency in patients with chronic lesions (P = .031). Anatomic reduction was achieved in 72%, the medial step-off in patients with nonanatomic reduction averaged 1.8 ± 0.9 mm, and the

  12. Is radiographic measurement of bony landmarks reliable for lateral meniscal sizing?

    Science.gov (United States)

    Yoon, Jung-Ro; Kim, Taik-Seon; Lim, Hong-Chul; Lim, Hyung-Tae; Yang, Jae-Hyuk

    2011-03-01

    The accuracy of meniscal measurement methods is still in debate. The authors' protocol for radiologic measurements will provide reproducible bony landmarks, and this measurement method of the lateral tibial plateau will correlate with the actual anatomic value. Controlled laboratory study. Twenty-five samples of fresh lateral meniscus with attached proximal tibia were obtained during total knee arthroplasty. Each sample was obtained without damage to the meniscus and bony attachment sites. The inclusion criterion was mild to moderate osteoarthritis in patients with mechanical axis deviation of less than 15°. Knees with lateral compartment osteoarthritic change or injured or degenerated menisci were excluded. For the lateral tibial plateau length measurements, the radiographic beam was angled 10° caudally at neutral rotation, which allowed differentiation of the lateral plateau cortical margins from the medial plateau. The transition points were identified and used for length measurement. The values of length were then compared with the conventional Pollard method and the anatomic values. The width measurement was done according to Pollard's protocol. For each knee, the percentage deviation from the anatomic dimension was recorded. Intraobserver error and interobserver error were calculated. The deviation of the authors' radiographic length measurements from anatomic dimensions was 1.4 ± 1.1 mm. The deviation of Pollard's radiographic length measurements was 4.1 ± 2.0 mm. With respect to accuracy-which represents the frequency of measurements that fall within 10% of measurements-the accuracy of authors' length was 98%, whereas for Pollard's method it was 40%. There was a good correlation between anatomic meniscal dimensions and each radiologic plateau dimensions for lateral meniscal width (R(2) = .790) and the authors' lateral meniscal length (R(2) = .823) and fair correlation for Pollard's lateral meniscal length (R(2) = .660). The reliability of each

  13. CT of the canine lumbosacral spine in extension - flexion rotation; part I: bony window

    International Nuclear Information System (INIS)

    Henninger, W.; Werner, G.

    2002-01-01

    The canine lumbosacral spine is examined radiographically in extended and flexed lateral position as well as ventrodorsally. Superimposition of bones hinders exact evaluation of the lumbosacral intervertebral foramen in case of cauda equina syndrome, especially when degenerative changes overlap. CT or MRI are more and more indicated to get reliable findings because myelography is not always of diagnostic value. For this study twelve dogs (7 German Shepherd dogs, 4 Cross-breds, and 1 Rottweiler) of different age and sex were taken which had been referred for CT examination of the lumbosacral area. Plain radiographs did not show abnormalities. The anaesthetized dogs were positioned in dorsal recumbency with the legs firstly extended and secondly flexed according to flexion-extension radiography. Slice thickness was 2 mm, the CT images were evaluated in both bony and soft tissue windows. Bony window easily showed vertebral bodies, vertebral canal, pedicles, vertebral laminae, and articular processes of L7 and S1. Median height of the vertebral canal did not change during extension or flexion at the level of L7 and the sacrum. Height and width of the intervertebral foramen and width of the interarcual foramen changed markedly from extension to flexion. Lateral recessus of the vertebral canal always could be observed as ventrolateral widening. In sagittal CT scans of the lumbosacral specimen of a normal German Shepherd dog cranial articular processes of the sacrum were detected to be responsible for maximum height or width of the intervertebral foramen. Evolving from the lateral recessus the intervertebral foramen was initially oval-shaped and got rounded and narrowed by the cranial articular process of the sacrum. Position and shape of the cranial articular processes of the sacrum were evaluated. Surface of the cranial articular processes of S1 were found even with articular spaces congruent, but some also appeared slightly concave or convex where incongruity of the

  14. Visualization of bonding at an inclusion boundary using axial-shear strain elastography: a feasibility study

    International Nuclear Information System (INIS)

    Thitaikumar, Arun; Krouskop, Thomas A; Garra, Brian S; Ophir, Jonathan

    2007-01-01

    Ultrasound elastography produces strain images of compliant tissues under quasi-static compression. In axial-shear strain elastography, the local axial-shear strain resulting from application of quasi-static axial compression to an inhomogeneous material is imaged. The overall hypothesis of this work is that the pattern of axial-shear strain distribution around the inclusion/background interface is completely determined by the bonding at the interface after normalization for inclusion size and applied strain levels, and that it is feasible to extract certain features from the axial-shear strain elastograms to quantify this pattern. The mechanical model used in this study consisted of a single stiff circular inclusion embedded in a homogeneous softer background. First, we performed a parametric study using finite-element analysis (FEA) (no ultrasound involved) to identify possible features that quantify the pattern of axial-shear strain distribution around an inclusion/background interface. Next, the ability to extract these features from axial-shear strain elastograms, estimated from simulated pre- and post-compression noisy RF data, was investigated. Further, the feasibility of extracting these features from in vivo breast data of benign and malignant tumors was also investigated. It is shown using the FEA study that the pattern of axial-shear strain distribution is determined by the degree of bonding at the inclusion/background interface. The results suggest the feasibility of using normalized features that capture the region of positive and negative axial-shear strain area to quantify the pattern of the axial-shear strain distribution. The simulation results showed that it was feasible to extract the features, as identified in the FEA study, from axial-shear strain elastograms. However, an effort must be made to obtain axial-shear strain elastograms with the highest signal-to-noise ratio (SNR asse ) possible, without compromising the resolution. The in vivo

  15. Vibrational signatures of cation-anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study.

    Science.gov (United States)

    Mondal, Anirban; Balasubramanian, Sundaram

    2015-02-05

    Hydrogen bonding in alkylammonium based protic ionic liquids was studied using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Normal-mode analysis within the harmonic approximation and power spectra of velocity autocorrelation functions were used as tools to obtain the vibrational spectra in both the gas phase and the crystalline phases of these protic ionic liquids. The hydrogen bond vibrational modes were identified in the 150-240 cm(-1) region of the far-infrared (far-IR) spectra. A blue shift in the far-IR mode was observed with an increasing number of hydrogen-bonding sites on the cation; the exact peak position is modulated by the cation-anion hydrogen bond strength. Sub-100 cm(-1) bands in the far-IR spectrum are assigned to the rattling motion of the anions. Calculated NMR chemical shifts of the acidic protons in the crystalline phase of these salts also exhibit the signature of cation-anion hydrogen bonding.

  16. Study on the bonding state for carbon-boron nitrogen with different ball milling time

    International Nuclear Information System (INIS)

    Xiong, Y.H.; Xiong, C.S.; Wei, S.Q.; Yang, H.W.; Mai, Y.T.; Xu, W.; Yang, S.; Dai, G.H.; Song, S.J.; Xiong, J.; Ren, Z.M.; Zhang, J.; Pi, H.L.; Xia, Z.C.; Yuan, S.L.

    2006-01-01

    The varied bonding state and microstructure characterization were discussed for carbon-boron nitrogen (CBN) with abundant phase structure and nanostructure, which were synthesized directly by mechanical alloying technique at room temperature. According to the results of SEM and X-ray photoelectron spectroscopy (XPS) of CBN with different ball milling time, it is substantiated that the bonding state and microstructure for CBN were closely related to the ball milling time. With the increase of the ball milling time, some new chemical bonding states of CBN were observed, which implies that some new bonding state and microstructures have been formed. The results of XPS are accordance with that of X-ray diffraction of CBN

  17. Fibre-matrix bond strength studies of glass, ceramic, and metal matrix composites

    Science.gov (United States)

    Grande, D. H.; Mandell, J. F.; Hong, K. C. C.

    1988-01-01

    An indentation test technique for compressively loading the ends of individual fibers to produce debonding has been applied to metal, glass, and glass-ceramic matrix composites; bond strength values at debond initiation are calculated using a finite-element model. Results are correlated with composite longitudinal and interlaminar shear behavior for carbon and Nicalon fiber-reinforced glasses and glass-ceramics including the effects of matrix modifications, processing conditions, and high-temperature oxidation embrittlement. The data indicate that significant bonding to improve off-axis and shear properties can be tolerated before the longitudinal behavior becomes brittle. Residual stress and other mechanical bonding effects are important, but improved analyses and multiaxial interfacial failure criteria are needed to adequately interpret bond strength data in terms of composite performance.

  18. Retentive Shear Strengths of Various Bonding Attachment Bases: An in vitro Study

    Directory of Open Access Journals (Sweden)

    Abhishek Goyal

    2013-01-01

    Conclusion: Gemini brackets provided the best bond strengths clinically, followed by Mini Diagonali, Nu-Edge, Mini Twin, Mini Diamond and the Sapphire brackets in decreasing order as measured using the Weibull analysis.

  19. Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase

    International Nuclear Information System (INIS)

    Langkilde, Annette; Kristensen, Søren M.; Lo Leggio, Leila; Mølgaard, Anne; Jensen, Jan H.; Houk, Andrew R.; Navarro Poulsen, Jens-Christian; Kauppinen, Sakari; Larsen, Sine

    2008-01-01

    The short hydrogen bonds in rhamnogalacturonan acetylesterase have been investigated by structure determination of an active-site mutant, 1 H NMR spectra and computational methods. Comparisons are made to database statistics. A very short carboxylic acid carboxylate hydrogen bond, buried in the protein, could explain the low-field (18 p.p.m.) 1 H NMR signal. An extremely low-field signal (at approximately 18 p.p.m.) in the 1 H NMR spectrum of rhamnogalacturonan acetylesterase (RGAE) shows the presence of a short strong hydrogen bond in the structure. This signal was also present in the mutant RGAE D192N, in which Asp192, which is part of the catalytic triad, has been replaced with Asn. A careful analysis of wild-type RGAE and RGAE D192N was conducted with the purpose of identifying possible candidates for the short hydrogen bond with the 18 p.p.m. deshielded proton. Theoretical calculations of chemical shift values were used in the interpretation of the experimental 1 H NMR spectra. The crystal structure of RGAE D192N was determined to 1.33 Å resolution and refined to an R value of 11.6% for all data. The structure is virtually identical to the high-resolution (1.12 Å) structure of the wild-type enzyme except for the interactions involving the mutation and a disordered loop. Searches of the Cambridge Structural Database were conducted to obtain information on the donor–acceptor distances of different types of hydrogen bonds. The short hydrogen-bond interactions found in RGAE have equivalents in small-molecule structures. An examination of the short hydrogen bonds in RGAE, the calculated pK a values and solvent-accessibilities identified a buried carboxylic acid carboxylate hydrogen bond between Asp75 and Asp87 as the likely origin of the 18 p.p.m. signal. Similar hydrogen-bond interactions between two Asp or Glu carboxy groups were found in 16% of a homology-reduced set of high-quality structures extracted from the PDB. The shortest hydrogen bonds in RGAE are

  20. A biomechanical analysis of a single-row suture anchor fixation of a large bony bankart lesion.

    Science.gov (United States)

    Dyskin, Evgeny; Marzo, John M; Howard, Craig; Ehrensberger, Mark

    2014-12-01

    This study was conducted to assess whether a single-row suture anchor repair of a bony Bankart lesion comprising 19% of the glenoid length restores peak translational force and glenoid depth compared with the intact shoulder. Nine thawed adult cadaveric shoulders were dissected and mounted in 45° of abduction and 30° of external rotation. A bony Bankart lesion was simulated with an anterior longitudinal osteotomy, parallel to the superoinferior axis of the glenoid, equivalent to 19% of the glenoid length. The humeral head was displaced 10 mm anteriorly at a speed of 2 mm/s with a 50-N compressive load applied. Testing was performed with the glenoid intact, a simulated lesion, and the lesion repaired with 3 single-row suture anchors. Median (interquartile range [IQR]) peak translational force and glenoid depth were reported. The Friedman test and post hoc comparisons with the Wilcoxon signed rank test were used for between-group analyses. Peak translational force decreased after osteotomy (13.7 N; IQR, 9.6 to 15.5 N; P = .01) and increased after the repair (18.3 N; IQR, 18.3 to 20.6 N; P = .01) compared with the intact shoulder (23.7 N; IQR, 16.4 to 29.9 N). Glenoid depth significantly decreased after the osteotomy (0.2 mm; IQR, -0.6 to 0.7 mm) compared with baseline (1.7 mm; IQR, 1.3 to 2.0 mm; P = .01) and increased after repair (0.8 mm; IQR, 0.1 to 1.0 mm; P = .03) compared with the osteotomized shoulder. The glenoid depth of the repair was less than the baseline value (P = .01). Repair of an anterior bony Bankart lesion equivalent to 19% of the glenoid length with 3 suture anchors restored the peak translational force needed to anteriorly displace the humerus relative to the glenoid; however, this technique failed to restore the natural glenoid depth in a laboratory setting. Our findings describe the inability of a single-row suture anchor repair to provide anatomic fixation of the bony Bankart lesion equivalent to 19% of the glenoid length

  1. Relationship Bonds and Customer Loyalty: A Study Across Different Service Contexts

    OpenAIRE

    Mafalda Lima; Teresa Fernandes

    2015-01-01

    The benefits of customer relationship strategies are well known and somewhat established nowadays. Customer loyalty emerges as the crucial glue in developing a relational approach. However, relational bonds, which relate to customer loyalty, have not yet been fully explored. Also, there is little research that takes into account the effect of service types on customer relationships and bonding. This paper develops a conceptual framework based on previous literature with a complete set of diff...

  2. Efficacy of quercetin flavonoid in recovering the postbleaching bond strength of orthodontic brackets: A preliminary study.

    Science.gov (United States)

    Shamsedin, Mana; Arash, Valiollah; Jahromi, Masoud Babaei; Moghadamnia, Ali Akbar; Kamel, Manouchehr Rahmati; Ezoji, Fariba; Bijani, Ali; Kavoli, Samira; Ghasemi, Tania; Ramezani, Gholamhossein

    2017-01-01

    To evaluate comparatively the effect of quercetin on postbleaching shear bond strength (SBS) and adhesive remnant index (ARI). Intact maxillary premolars were divided randomly into 12 groups of 10 each: (1) bonding the bracket immediately after bleaching, (2) bonding 1 week after bleaching, (3-8) application of three experimental concentrations of quercetin (0.1%, 0.5%, and 1%) at two time durations (5 and 10 min), (9-10) application of the solvent of quercetin at two time periods (5 and 10 min), (11) application of 10% sodium ascorbate for 10 min, and (12) bonding the brackets on nonbleached teeth. Bleaching was performed using 15% carbamide peroxide gel for 5 days (6 h daily). After incubation and thermocycling, the SBS of brackets was measured. The ARI too was recorded at ×20. The data were analyzed statistically (α =0.05). Bleaching reduced the SBS below 10 Megapascal (MPa) level ( P 0.01). All eight postbleaching treatments had rather similar efficacies ( P = 0.1396). The concentration of quercetin (beta = 0.259, P = 0.042) but not its duration (beta = 0.213, P = 0.093) significantly improved its efficacy. Bleaching can weaken the bond strength of orthodontic brackets below acceptable levels. The application of quercetin or Vitamin C or delaying the bracket bonding improved the postbleaching SBS.

  3. Peptide bond detection via graphene nanogaps: a proof of principle study.

    Science.gov (United States)

    Rossini, Aldo Eugenio; Gala, Fabrizio; Chinappi, Mauro; Zollo, Giuseppe

    2018-03-29

    Solid-state nanopores and nanogaps are emerging as promising tools for single molecule analysis. 2D materials, such as graphene, can potentially reach the spatial resolution needed for nucleic acid and protein sequencing. In the context of the density functional theory, atomistic modeling and non-equilibrium Green's function calculation, we show that glycine based polypeptide chains translocating across a nano-gap between two semi-infinite graphene nano-ribbons leave a specific transverse current signature for each peptide bond. The projected density of states and bond current analyses reveal a complex scenario with a role played by the adjacent α-carbons and side chains and by the orbitals of the partially resonant double bond involving C, N and O atoms of the peptide bond. In this context, specific fingerprints of the atoms involved in the peptide bonds are found. The same scenario is evidenced also for peptides involving alanine residues. The signal measured can be considered as a specific fingerprint of peptide bonds between small and neutral amino acids with no polar/charge effects. On this basis, a newly conceived nano-device made of a graphene based array of nano-gap is proposed as a possible route to approach peptide sequencing with atomic resolution.

  4. Severe bony ankylosis of the temporomandibular joint on one side and contralateral adhesion: A case report

    International Nuclear Information System (INIS)

    Song, Ji Young; Kim, Seong Gon; Choi, Hang Moon; Kim, Hyun Jung

    2015-01-01

    Bony fusion between the mandibular condyle and skull base involves temporomandibular joint (TMJ) bony ankylosis. This condition might originate from trauma, infection, or systemic disease. TMJ adhesion can develop after synovial damage. Both TMJ ankylosis and adhesion lead to functional impairment and pain. Here, we present a case of a 50-year-old female who had bony ankylosis of the right TMJ and adhesion of the left TMJ. She had otitis media in the right ear. A large mass in the right TMJ was observed on computed tomograph. Magnetic resonance image showed a large fused bone mass with normal bone marrow in the right TMJ and flattening of the condyle with a thin disk in the left TMJ. Gap arthroplasty with temporal fascia was performed on the right TMJ, and discectomy, high condylectomy, and coronoidectomy were performed on the left TMJ. During a 2-year follow-up after surgery, the patient had no recurrence

  5. Severe bony ankylosis of the temporomandibular joint on one side and contralateral adhesion: A case report

    Energy Technology Data Exchange (ETDEWEB)

    Song, Ji Young [Dept. of Oral and Maxillofacial Surgery, Jeju National University Hospital, Jeju National University School of Medicine, Jeju (Korea, Republic of); Kim, Seong Gon; Choi, Hang Moon [School of Dentistry, Gangneung-Wonju National University, Gangneung (Korea, Republic of); Kim, Hyun Jung [Dept. of Anesthesiology and Pain Medicine, Jeju National University School of Medicine, Jeju (Korea, Republic of)

    2015-06-15

    Bony fusion between the mandibular condyle and skull base involves temporomandibular joint (TMJ) bony ankylosis. This condition might originate from trauma, infection, or systemic disease. TMJ adhesion can develop after synovial damage. Both TMJ ankylosis and adhesion lead to functional impairment and pain. Here, we present a case of a 50-year-old female who had bony ankylosis of the right TMJ and adhesion of the left TMJ. She had otitis media in the right ear. A large mass in the right TMJ was observed on computed tomograph. Magnetic resonance image showed a large fused bone mass with normal bone marrow in the right TMJ and flattening of the condyle with a thin disk in the left TMJ. Gap arthroplasty with temporal fascia was performed on the right TMJ, and discectomy, high condylectomy, and coronoidectomy were performed on the left TMJ. During a 2-year follow-up after surgery, the patient had no recurrence.

  6. Bilateral bony fusion around the supraspinatus muscle inducing muscle hypoplasia and shoulder pain

    Energy Technology Data Exchange (ETDEWEB)

    Son, YeNa; Jin, Wook; Park, So Young [Kyung Hee University Hospital at Gangdong, Department of Radiology, 892, Dongnam-ro, Gangdong-gu, Seoul (Korea, Republic of); Ryu, Kyung Nam; Park, Ji Seon [Kyung Hee University Hospital, Department of Radiology, 23 Kyunghee-daero, Dongdaemun-gu, Seoul (Korea, Republic of)

    2017-03-15

    We describe the case of a 30-year-old man who developed chronic bilateral shoulder pain that relapsed and remitted over the course of 1 year. The patient was diagnosed with congenital shoulder fusion anomalies. The right shoulder showed anomalous accessory articulation between the distal third of the clavicle and the acromion along with normal articulation of the shoulder on CT. At the left shoulder, bony fusions were present between the distal portion of the clavicle, the acromion, and the coracoid process, and between the coracoid process, upper portion of the glenoid, and upper body of the scapula, which formed a bony canal and was responsible for hypoplasia of the supraspinatus muscle on CT and MRI. To our knowledge, this is the first description of such congenital shoulder anomalies with extreme bony fusion and is an illustrative example of how imaging may be used to differentiate fusion from other congenital abnormalities of the shoulder to aid diagnosis. (orig.)

  7. Municipal Bonds in Developing Countries. Case Study: Municipality of Stip, Republic of Macedonia

    Directory of Open Access Journals (Sweden)

    Marija GOGOVA SAMONIKOV

    2017-06-01

    Full Text Available The developing countries, especially in the Balkans, barely use the municipal bonds as an alternative way of financing their activities. This paper is part of the project “The municipal bonds as an alternative source of financing municipals activities and the effective management of funds, with a special emphasis to the Municipality of Stip, R. Macedonia”. The paper has an important impact, according to both academic and practical perspective. It combines the experts’ academic analysis with the municipals potential in order to facilitate a successful municipal bond emission that would support the local economic growth. The purpose of this paper is to investigate the ability and willingness of the Municipality of Stip to issue municipal bonds. The main hypothesis states that the Municipality of Stip is able to issue a municipal bond as an alternative way of financing its investment activities. The research includes the classical SWOT analysis regarding the Municipality of Stip and continues with a statistical analysis based on correlation and regression relationships within the accounts of the Municipality’s annual reports. The methodological framework is based on quantitative research methods (correlations and regression methods which result in acceptance of the main hypothesis in the paper - the municipal bonds as an alternative source for funding municipal’s activities are justified, especially if the funds are associated with a specific revenue-generating project. The findings would serve as a basis for the municipal bonds prospect, which would be the ultimate goal of combining the academic knowledge with the practical potential of the Municipality of Stip. The conclusions reveal that this would be the first municipal bond emission in the Republic of Macedonia. However, this fact can serve as an advantage in the market in terms of introducing financial instrument innovation. This paper suggests that the usage of municipal bonds is

  8. Comparison of the bony remodelling of two synthetic biomaterials: aragonite 55% and aragonite 55% with active substance

    International Nuclear Information System (INIS)

    Oudadesse, H; Derrien, A C; Martin, S; Lucas-Girot, A; Cathelineau, G

    2007-01-01

    In this work, the in vivo behaviour of pure aragonite and vectabone, which is an association of aragonite and an active substance such as gentamicin, was studied to highlight the kinetic resorption of these two biomaterials with 55% of porosity destined for the filling or replacement of bony defects. The synthesis conditions and parameters we used permit us to obtain a biomaterial without a sintering stage. These conditions allow introducing of active substances at the first stage of the elaboration. In this work, the gentamycin antibiotic was associated with calcium carbonate (aragonite 55% with gentamycin) to deliver this active substance on the surgical site for local treatment. The tricalcium phosphate biomaterial was used as the control because of its high biocompatibility. The bony remodelling of these three biomaterials was studied by in vivo experiments. This study was ensured with neutron activation analysis (NAA). The resorption kinetic was elaborated and comparisons of the remodelling biomaterials CaCO 3 55% and CaCO 3 55% with gentamicin (vectabone) and tricalcium phosphate were carried out. The obtained results show that, 6 months after implantation, the mineral composition of vectabone and tricalcium phosphate becomes close to that of young bone. Twelve months after implantation, it becomes similar to that of mature bone

  9. Patterns of congenital bony spinal deformity and associated neural anomalies on X-ray and magnetic resonance imaging

    OpenAIRE

    Trenga, Anthony P.; Singla, Anuj; Feger, Mark A.; Abel, Mark F.

    2016-01-01

    Purpose Congenital malformations of the bony vertebral column are often accompanied by spinal cord anomalies; these observations have been reinforced with the use of magnetic resonance imaging (MRI). We hypothesized that the incidence of cord anomalies will increase as the number and complexity of bony vertebral abnormalities increases. Methods All patients aged ?13 years (n?=?75) presenting to the pediatric spine clinic from 2003?2013 with congenital bony spinal deformity and both radiograph...

  10. Spectroscopic, DFT, and XRD Studies of Hydrogen Bonds in N-Unsubstituted 2-Aminobenzamides.

    Science.gov (United States)

    Mphahlele, Malose Jack; Maluleka, Marole Maria; Rhyman, Lydia; Ramasami, Ponnadurai; Mampa, Richard Mokome

    2017-01-04

    The structures of the mono- and the dihalogenated N -unsubstituted 2-aminobenzamides were characterized by means of the spectroscopic (¹H-NMR, UV-Vis, FT-IR, and FT-Raman) and X-ray crystallographic techniques complemented with a density functional theory (DFT) method. The hindered rotation of the C(O)-NH₂ single bond resulted in non-equivalence of the amide protons and therefore two distinct resonances of different chemical shift values in the ¹H-NMR spectra of these compounds were observed. 2-Amino-5-bromobenzamide ( ABB ) as a model confirmed the presence of strong intramolecular hydrogen bonds between oxygen and the amine hydrogen. However, intramolecular hydrogen bonding between the carbonyl oxygen and the amine protons was not observed in the solution phase due to a rapid exchange of these two protons with the solvent and fast rotation of the Ar-NH₂ single bond. XRD also revealed the ability of the amide unit of these compounds to function as a hydrogen bond donor and acceptor simultaneously to form strong intermolecular hydrogen bonding between oxygen of one molecule and the NH moiety of the amine or amide group of the other molecule and between the amine nitrogen and the amide hydrogen of different molecules. DFT calculations using the B3LYP/6-311++G(d,p) basis set revealed that the conformer ( A ) with oxygen and 2-amine on the same side predominates possibly due to the formation of a six-membered intramolecular ring, which is assisted by hydrogen bonding as observed in the single crystal XRD structure.

  11. New endodontic obturation systems and their interfacial bond strength with intraradicular dentine - ex vivo studies.

    Science.gov (United States)

    Pawińska, M; Kierklo, A; Tokajuk, G; Sidun, J

    2011-01-01

    To comparatively evaluate adhesive properties of selected root canal fillings through the measurement of the material-dentine interfacial bond strength. Fifty extracted single-rooted human teeth with one canal each were prepared using Hero instruments to size 30.04. Teeth were divided into four subgroups depending on the root canal filling material and the method of obturation: Resilon/Epiphany - a thermoplastic method (IA), Resilon/Epiphany - a matching single-point method (IB), gutta-percha/Roeko Seal Automix - a thermoplastic method (IIA) and gutta-percha/Roeko Seal Automix - a matching single-point method (IIB). The obturated roots were cut perpendicular to the long axis to create 1.7 mm thick slices. The bond strength was measured for each test slice with push -out testing machine. The highest push-out bond strength was registered in subgroup IB (3.98 ± 1.33 MPa). Significantly lower bond strength was observed in subgroups IA (0.50 ± 0.24 MPa), IIA (0.33 ± 0.18 MPa) and IIB (0.08 ± 0.03 MPa) (pmaterial-dentine interfacial bond strength values were observed between IA and IIA, IA and IIB, IIA and IIB subgroups (p > 0.05). The push-out bond strength of the material-dentine interface was dependent on the type of material used and the root canal filling technique. The R/E system exhibited better adhesion ability to intraradicular dentine than G/RSA. The highest bond strength was observed for Resilon/Epiphany introduced with the single-cone technique.

  12. Spectroscopic, DFT, and XRD Studies of Hydrogen Bonds in N-Unsubstituted 2-Aminobenzamides

    Directory of Open Access Journals (Sweden)

    Malose Jack Mphahlele

    2017-01-01

    Full Text Available The structures of the mono- and the dihalogenated N-unsubstituted 2-aminobenzamides were characterized by means of the spectroscopic (1H-NMR, UV-Vis, FT-IR, and FT-Raman and X-ray crystallographic techniques complemented with a density functional theory (DFT method. The hindered rotation of the C(O–NH2 single bond resulted in non-equivalence of the amide protons and therefore two distinct resonances of different chemical shift values in the 1H-NMR spectra of these compounds were observed. 2-Amino-5-bromobenzamide (ABB as a model confirmed the presence of strong intramolecular hydrogen bonds between oxygen and the amine hydrogen. However, intramolecular hydrogen bonding between the carbonyl oxygen and the amine protons was not observed in the solution phase due to a rapid exchange of these two protons with the solvent and fast rotation of the Ar–NH2 single bond. XRD also revealed the ability of the amide unit of these compounds to function as a hydrogen bond donor and acceptor simultaneously to form strong intermolecular hydrogen bonding between oxygen of one molecule and the NH moiety of the amine or amide group of the other molecule and between the amine nitrogen and the amide hydrogen of different molecules. DFT calculations using the B3LYP/6-311++G(d,p basis set revealed that the conformer (A with oxygen and 2-amine on the same side predominates possibly due to the formation of a six-membered intramolecular ring, which is assisted by hydrogen bonding as observed in the single crystal XRD structure.

  13. Adatom Bond Dissociation in the Collision Between an Adsorbed Atom and Incident Diatomic Molecule: A Classical Trajectory Study

    International Nuclear Information System (INIS)

    Bayhan, U.

    2004-01-01

    The collisional dissociation of the Atom-Surface bond in the diatomic molecule (gas) / atom (ads) collision taking place on a bcc-structure surface have been studied by classical trajectory methods over the collision energy ranges and the attractive well depth of the diatomic molecule (gas) / atom (ads) interactions

  14. Theoretical Study on the Aza-Diels-Alder Reaction Catalyzed by PHCl2 Lewis Acid via Pnicogen Bonding.

    Science.gov (United States)

    Yaghoobi, Fereshteh; Sohrabi Mahboub, Mahdi

    2018-03-15

    The reaction mechanism of the Aza-Diels-Alder (A-D-A) cycloaddition reaction between X 2 C═NNH 2 , where X = H, F, Cl, Br, and 1,3-butadiene catalyzed by a PHCl 2 Lewis acid was characterized using density functional theory calculations. The influences of various substituents of X on the studied reaction were analyzed using the activation strain model (ASM), which is also termed as the distortion-interaction model. Calculations showed that the smallest and largest values of the activation energies belong to the substituents of F and Br, respectively. The activation energy of the studied reactions was decreased within 8.6 kcal·mol -1 in the presence of PHCl 2 catalyst. Investigations showed that the pnicogen bonding is adequately capable of activating the A-D-A reaction. The quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis were implemented to understand the nature of C 4,Cbut ···C XIm and C 1,Cbut ···N XIm bonds at the TS structures. Additionally, the energy decomposition analysis (EDA) based on the ETS-NOCV scheme was used to characterize the nature of C 4,Cbut ···C XIm and C 1,Cbut ···N XIm bond. The results of the study mirror the fact that the PHCl 2 Lewis acid may be suggested as a simple suitable catalyst for experimental studies on the A-D-A reactions.

  15. The bonded in the chestnut-tree (Aesculus hippocastanum L.) bark water freezing process studied by means NMR method

    International Nuclear Information System (INIS)

    Haranczyk, H.; Weglarz, W.

    1994-01-01

    The bonded in the chestnut-tree (Aesculus hippocastanum L.) bark water freezing process was studied by means NMR method. The measured relaxation time (as a function of temperature) shows two compounds. First from solid state water (T 2 * 20 μs) and the second one from liquid water (T 2 * = 1 ms). This results are presented and discussed

  16. The freezing of water bonded in the wheat (Triticum aestivum L.) grain studied by means protons magnetic relaxation method

    International Nuclear Information System (INIS)

    Haranczyk, H.; Jasinski, G.; Strzalka, K.

    1994-01-01

    Some biological aspects of water freezing in the wheat grain have been studied using NMR methods. Measuring of the relaxation times for freezing and liquid water shown absence of T 2 ∼100 μs and T 2 ∼1 ms separated components what pointed for some different way of water bonding

  17. Density functional theory study of the structural and bonding mechanism of molecular oxygen (O2) with C3Si

    Science.gov (United States)

    Parida, Saroj K.; Behera, C.; Sahu, Sridhar

    2018-07-01

    The investigations of pure and heteroatom doped carbon clusters have created great interest because of their enormous prospective applications in various research zones, for example, optoelectronics, semiconductors, material science, energy storage devices, astro-science and so on. In this article, the interaction of molecular oxygen (O2) with C3Si has explored within a density functional theory (DFT). Different possible types of structure for C3SiO2 have collected. Among five different kinds of structure, the structure-1a, 1A1 is more energetically stable. The nature of the bonding of O2 and C3Si, in C3SiO2 has been studied by using Bader's topological analysis of the electron charge density distribution ρ(r) , Laplacian ∇2 ρ(r) and total energy density H(r) at the bond critical points (BCPs) of the structures within the framework of the atoms in molecules theory (AIM). The bonding mechanism of O2 and C3Si in C3SiO2 prompts to the fundamental understanding of the interaction of C3Si with oxygen molecule. It is interesting to note that, two types of bonding mechanism are established in same C3SiO2 system such as (i) shared-kind interactions (ii) closed-shell interactions. From various kinds of structure, Csbnd C bonds in all structures are shown as shared-kind interactions whereas Csbnd Si, Osbnd O bonds are classified as closed-shell type interactions with a certain degree of covalent character.

  18. Melorheostosis of the hand with complicating bony spur formation and bursal inflammation: diagnosis and treatment

    International Nuclear Information System (INIS)

    Ameen, S.; Anderson, S.E.; Nagy, L.; Gerich, U.

    2002-01-01

    A 37-year old woman presented with intolerable pain associated with a slowly growing mass on the dorsum of the right hand. The radiographs were characteristic of melorheostosis involving the third and fourth metacarpals, with a cortical bony projection extending from the base of the third metacarpal eroding slightly into the fourth metacarpal, associated with bursal formation. Magnetic resonance imaging (MRI) demonstrated an inflamed bursal collection adjacent to the spur. This region corresponded to the patient's severe clinical, focal pain. To our knowledge, this is the first case report in which melorheostosis of the hand has been associated with bony spur formation and complicated by an inflamed bursa. (orig.)

  19. Cervical spinal cord, root, and bony spine injuries: a closed claims analysis.

    Science.gov (United States)

    Hindman, Bradley J; Palecek, John P; Posner, Karen L; Traynelis, Vincent C; Lee, Lorri A; Sawin, Paul D; Tredway, Trent L; Todd, Michael M; Domino, Karen B

    2011-04-01

    The aim of this study was to characterize cervical cord, root, and bony spine claims in the American Society of Anesthesiologists Closed Claims database to formulate hypotheses regarding mechanisms of injury. All general anesthesia claims (1970-2007) in the Closed Claims database were searched to identify cervical injuries. Three independent teams, each consisting of an anesthesiologist and neurosurgeon, used a standardized review form to extract data from claim summaries and judge probable contributors to injury. Cervical injury claims (n = 48; mean ± SD age 47 ± 15 yr; 73% male) comprised less than 1% of all general anesthesia claims. When compared with other general anesthesia claims (19%), cervical injury claims were more often permanent and disabling (69%; P cervical stenosis) were often present, cord injuries usually occurred in the absence of traumatic injury (81%) or cervical spine instability (76%). Cord injury occurred with cervical spine (65%) and noncervical spine (35%) procedures. Twenty-four percent of cord injuries were associated with the sitting position. Probable contributors to cord injury included anatomic abnormalities (81%), direct surgical complications (24% [38%, cervical spine procedures]), preprocedural symptomatic cord injury (19%), intraoperative head/neck position (19%), and airway management (11%). Most cervical cord injuries occurred in the absence of traumatic injury, instability, and airway difficulties. Cervical spine procedures and/or sitting procedures appear to predominate. In the absence of instability, cervical spondylosis was the most common factor associated with cord injury.

  20. Automated bony region identification using artificial neural networks: reliability and validation measurements

    Energy Technology Data Exchange (ETDEWEB)

    Gassman, Esther E.; Kallemeyn, Nicole A.; DeVries, Nicole A.; Shivanna, Kiran H. [The University of Iowa, Department of Biomedical Engineering, Seamans Center for the Engineering Arts and Sciences, Iowa City, IA (United States); The University of Iowa, Center for Computer-Aided Design, Iowa City, IA (United States); Powell, Stephanie M. [The University of Iowa, Department of Biomedical Engineering, Seamans Center for the Engineering Arts and Sciences, Iowa City, IA (United States); University of Iowa Hospitals and Clinics, The University of Iowa, Department of Radiology, Iowa City, IA (United States); Magnotta, Vincent A. [The University of Iowa, Department of Biomedical Engineering, Seamans Center for the Engineering Arts and Sciences, Iowa City, IA (United States); The University of Iowa, Center for Computer-Aided Design, Iowa City, IA (United States); University of Iowa Hospitals and Clinics, The University of Iowa, Department of Radiology, Iowa City, IA (United States); Ramme, Austin J. [University of Iowa Hospitals and Clinics, The University of Iowa, Department of Radiology, Iowa City, IA (United States); Adams, Brian D. [The University of Iowa, Department of Biomedical Engineering, Seamans Center for the Engineering Arts and Sciences, Iowa City, IA (United States); University of Iowa Hospitals and Clinics, The University of Iowa, Department of Orthopaedics and Rehabilitation, Iowa City, IA (United States); Grosland, Nicole M. [The University of Iowa, Department of Biomedical Engineering, Seamans Center for the Engineering Arts and Sciences, Iowa City, IA (United States); University of Iowa Hospitals and Clinics, The University of Iowa, Department of Orthopaedics and Rehabilitation, Iowa City, IA (United States); The University of Iowa, Center for Computer-Aided Design, Iowa City, IA (United States)

    2008-04-15

    The objective was to develop tools for automating the identification of bony structures, to assess the reliability of this technique against manual raters, and to validate the resulting regions of interest against physical surface scans obtained from the same specimen. Artificial intelligence-based algorithms have been used for image segmentation, specifically artificial neural networks (ANNs). For this study, an ANN was created and trained to identify the phalanges of the human hand. The relative overlap between the ANN and a manual tracer was 0.87, 0.82, and 0.76, for the proximal, middle, and distal index phalanx bones respectively. Compared with the physical surface scans, the ANN-generated surface representations differed on average by 0.35 mm, 0.29 mm, and 0.40 mm for the proximal, middle, and distal phalanges respectively. Furthermore, the ANN proved to segment the structures in less than one-tenth of the time required by a manual rater. The ANN has proven to be a reliable and valid means of segmenting the phalanx bones from CT images. Employing automated methods such as the ANN for segmentation, eliminates the likelihood of rater drift and inter-rater variability. Automated methods also decrease the amount of time and manual effort required to extract the data of interest, thereby making the feasibility of patient-specific modeling a reality. (orig.)

  1. Automated bony region identification using artificial neural networks: reliability and validation measurements

    International Nuclear Information System (INIS)

    Gassman, Esther E.; Kallemeyn, Nicole A.; DeVries, Nicole A.; Shivanna, Kiran H.; Powell, Stephanie M.; Magnotta, Vincent A.; Ramme, Austin J.; Adams, Brian D.; Grosland, Nicole M.

    2008-01-01

    The objective was to develop tools for automating the identification of bony structures, to assess the reliability of this technique against manual raters, and to validate the resulting regions of interest against physical surface scans obtained from the same specimen. Artificial intelligence-based algorithms have been used for image segmentation, specifically artificial neural networks (ANNs). For this study, an ANN was created and trained to identify the phalanges of the human hand. The relative overlap between the ANN and a manual tracer was 0.87, 0.82, and 0.76, for the proximal, middle, and distal index phalanx bones respectively. Compared with the physical surface scans, the ANN-generated surface representations differed on average by 0.35 mm, 0.29 mm, and 0.40 mm for the proximal, middle, and distal phalanges respectively. Furthermore, the ANN proved to segment the structures in less than one-tenth of the time required by a manual rater. The ANN has proven to be a reliable and valid means of segmenting the phalanx bones from CT images. Employing automated methods such as the ANN for segmentation, eliminates the likelihood of rater drift and inter-rater variability. Automated methods also decrease the amount of time and manual effort required to extract the data of interest, thereby making the feasibility of patient-specific modeling a reality. (orig.)

  2. Theoretical and experimental studies on the electric impedance of active piezoelectric sensors bonded on cracked beams

    International Nuclear Information System (INIS)

    Kuang, Y D; Chen, C Y; Shi, S Q; Chan, P K L; He, X Q

    2010-01-01

    The electric impedance of symmetrically surface-bonded piezoelectric sensors on a cracked beam is studied. To investigate the effect of the crack on the electric impedance in a convenient fashion, an analytical expression is derived that is correlated to the physical parameters of the crack and the host beam. The beam segment covered with piezoelectric patches and the cracked region are regarded as a bimorph segment and an equivalent spring, respectively, and the entire beam system is then represented by three elastic beam segments and a bimorph segment together with the spring. Electric impedance experiments are also conducted for uncracked beams and for cracked beams with single-edge or double-edge cracks. The experimental results agree with those generated by the analytical expression. The crack depth has little effect on the corresponding mode frequency for cracks located at the mode node of a beam. For cracks located away from the mode node, the corresponding mode frequency decreases as the crack depth increases. Moreover, the closer the crack to the anti-node of the mode, the greater the decrease in the corresponding mode frequency. The mechanism of these changes is discussed. The findings should prove helpful for structural health monitoring using active piezoelectric sensors

  3. Study on crack propagation of adhesively bonded DCB for aluminum foam using energy release rate

    Energy Technology Data Exchange (ETDEWEB)

    Bang, Hye Jin; Lee, Sang Kyo; Cho, Chong Du [Inha University, Incheon (Korea, Republic of); Cho, Jae Ung [Kongju National University, Choenan (Korea, Republic of)

    2015-01-15

    Aluminum foam with initial crack, which has a closed cell form adhesively bonded, is studied to compare and analyze the crack propagation behavior by using both experimental and finite element analysis techniques. The specimen is loaded in Mode I type of fracture as 15 mm/min speed of a displacement control method. The experimental results were used to accommodate the finite element analysis performed with commercial software ABAQUS 6.10. First, using a video recording, five steps of experiment were selected at random and then the energy release rate was calculated. The estimated energy release rate was then used as fracture energy into the finite element analysis. Comparing the experimental axial load-displacement graphs and the finite element analysis results, roughly equivalent peak values were observed in the cohesive strength of the aluminum foam double cantilever beam. However, force versus displacement patterns showed somewhat different: little deformation was observed in aluminum foam, whereas adhesive parts in double cantilever beam were significantly deformed.

  4. Molecular dynamics study of some non-hydrogen-bonding base pair DNA strands

    Science.gov (United States)

    Tiwari, Rakesh K.; Ojha, Rajendra P.; Tiwari, Gargi; Pandey, Vishnudatt; Mall, Vijaysree

    2018-05-01

    In order to elucidate the structural activity of hydrophobic modified DNA, the DMMO2-D5SICS, base pair is introduced as a constituent in different set of 12-mer and 14-mer DNA sequences for the molecular dynamics (MD) simulation in explicit water solvent. AMBER 14 force field was employed for each set of duplex during the 200ns production-dynamics simulation in orthogonal-box-water solvent by the Particle-Mesh-Ewald (PME) method in infinite periodic boundary conditions (PBC) to determine conformational parameters of the complex. The force-field parameters of modified base-pair were calculated by Gaussian-code using Hartree-Fock /ab-initio methodology. RMSD Results reveal that the conformation of the duplex is sequence dependent and the binding energy of the complex depends on the position of the modified base-pair in the nucleic acid strand. We found that non-bonding energy had a significant contribution to stabilising such type of duplex in comparison to electrostatic energy. The distortion produced within strands by such type of base-pair was local and destabilised the duplex integrity near to substitution, moreover the binding energy of duplex depends on the position of substitution of hydrophobic base-pair and the DNA sequence and strongly supports the corresponding experimental study.

  5. Study of gluing and wire bonding for the Belle II Silicon Vertex Detector

    International Nuclear Information System (INIS)

    Kang, K.H.; Hara, K.; Higuchi, T.; Hyun, H.J.; Jeon, H.B.; Joo, C.W.; Kah, D.H.; Kim, H.J.; Mibe, T.; Onuki, Y.; Park, H.; Rao, K.K.; Sato, N.; Shimizu, N.; Tanida, K.; Tsuboyama, T.; Uozumi, S.

    2014-01-01

    This paper describes an investigation into gluing and wire bonding for assembling the Silicon Vertex Detector (SVD) for the Belle II experiment at KEK in Japan. Optimizing the gluing of the silicon microstrip sensors, the support frame, and the readout flex cables is important for achieving the required mechanical precision. The wire bonding between the sensors and the readout electronic chips also needs special care to maximize the physics capability of the SVD. The silicon sensors and signal fan out flex circuits (pitch adapters) are glued and connected using wire bonding. We determine that gluing quality is important for achieving good bonding efficiency. The standard deviation in the glue thickness for the best result is measured to be 3.11 μm. Optimal machine parameters for wire bonding are determined to be 70 mW power, 20 gf force, and 20 ms for the pitch adapter and 60 mW power, 20 gf force, and 20 ms for the silicon strip sensors; these parameters provide a pull force of (10.92±0.72) gf. With these settings, 75% of the pitch adapters and 25% of the strip sensors experience the neck-broken type of break

  6. Paternal and maternal bonding styles in childhood are associated with the prevalence of chronic pain in a general adult population: the Hisayama Study.

    Science.gov (United States)

    Anno, Kozo; Shibata, Mao; Ninomiya, Toshiharu; Iwaki, Rie; Kawata, Hiroshi; Sawamoto, Ryoko; Kubo, Chiharu; Kiyohara, Yutaka; Sudo, Nobuyuki; Hosoi, Masako

    2015-07-31

    Previous research has suggested that extraordinary adverse experiences during childhood, such as abuse, are possible risk factors for the development of chronic pain. However, the relationship between the perceived parental bonding style during childhood and chronic pain has been much less studied. In this cross-sectional study, 760 community-dwelling Japanese adults were asked if they had pain that had been present for six months or more. They completed the Parental Bonding Instrument (PBI), a self-administrated questionnaire designed to assess perceived parental bonding, and the Patient Health Questionnaire-9 to assess current depressive symptoms. The PBI consists of care and overprotection subscales that are analyzed by assigning the parental bonding style to one of four quadrants: Optimal bonding (high care/low overprotection), neglectful parenting (low care/low overprotection), affectionate constraint (high care/high overprotection), and affectionless control (low care/high overprotection). Logistic regression analysis was done to estimate the contribution of the parental bonding style to the risk of chronic pain, controlling for demographic variables. Compared to the optimal bonding group, the odds ratios (ORs) for having chronic pain were significantly higher in the affectionless control group for paternal bonding (OR: 2.21, 95% CI: 1.50-3.27) and for maternal bonding (OR: 1.60, 95% CI: 1.09-2.36). After adjusting for depression, significance remained only for paternal bonding. The results demonstrate that the parental bonding style during childhood is associated with the prevalence of chronic pain in adults in the general population and that the association is more robust for paternal bonding than for maternal bonding.

  7. Theoretical study of relativistic effects in the electronic structure and chemical bonding of UF6

    International Nuclear Information System (INIS)

    Onoe, Jun; Takeuchi, Kazuo; Sekine, Rika; Nakamatsu, Hirohide; Mukoyama, Takeshi; Adachi, Hirohiko.

    1992-01-01

    We have performed the relativistic molecular orbital calculation for the ground state of UF 6 , using the discrete-variational Dirac-Slater method (DV-DS), in order to elucidate the relativistic effects in the electronic structure and chemical bonding. Compared with the electronic structure calculated by the non-relativistic Hartree-Fock-Slater (DV-X α )MO method, not only the direct relativistic effects (spin-orbit splitting etc), but also the indirect effect due to the change in screening core potential charge are shown to be important in the MO level structure. From the U-F bond overlap population analysis, we found that the U-F bond formation can be explained only by the DV-DS, not by the DV-X α . The calculated electronic structure in valence energy region (-20-OeV) and excitation energies in UV region are in agreement with experiments. (author)

  8. A 19F NMR study of C-I....pi- halogen bonding

    DEFF Research Database (Denmark)

    Hauchecorne, Dieter; vand er Veken, Benjamin J.; Herrebout, Wouter A.

    2011-01-01

    The formation of halogen bonded complexes between toluene-d8 and the perfluoroiodopropanes 1-C3F7I and 2-C3F7I has been investigated using 19F NMR spectroscopy. For both Lewis acids, evidence was found for the formation of a C–I⋯π halogen bonded complex. The complex formed is a 1:1 type. Using sp...... results are supported by ab initio calculations at the B3LYP-PCM/6-311++G(d,p) + LanL2DZ∗ level....

  9. Bonding prediction in friction stir consolidation of aluminum alloys: A preliminary study

    Science.gov (United States)

    Baffari, Dario; Reynolds, Anthony P.; Li, Xiao; Fratini, Livan

    2018-05-01

    Friction Stir Consolidation (FSC) is a solid-state process that results in consolidation of metal powders or chips producing solid billet through severe plastic deformation and the solid-state bonding phenomena. This process can be used both for primary production and for metal scrap recycling. During the FSC process, a rotating die is plunged into a hollow chamber containing the finely divided, unconsolidated material to be processed. In this paper, a FEM numerical model for the prediction of the quality of the consolidated billet is presented. In particular, a dedicated bonding criterion that takes into account the peculiar process mechanics of this innovative technology is proposed.

  10. Comparison of shear bond strength of the stainless steel metallic brackets bonded by three bonding systems

    Directory of Open Access Journals (Sweden)

    Mehdi Ravadgar

    2013-09-01

    Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP in the second group, TBXT composite was bonded with the conventional method of acid etching and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.

  11. Comparison of shear bond strength of the stainless steel metallic brackets bonded by three bonding systems

    Directory of Open Access Journals (Sweden)

    Mehdi Ravadgar

    2013-09-01

    Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP; in the second group, TBXT composite was bonded with the conventional method of acid etching; and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.

  12. Antibacterial Effect and Tensile Bond Strength of Self-etching Adhesive Resins with and without Methacryloyloxydodecylpyridinium Bromide: An in vitro Study.

    Science.gov (United States)

    Krishnamurthy, Madhuram; Kumar, V Naveen; Leburu, Ashok; Dhanavel, Chakravarthy; Selvendran, Kasiswamy E; Praveen, Nehrudhas

    2018-04-01

    Aim: The aim of the present study was to compare the antibacterial activity of a self-etching primer containing antibacterial monomer methacryloyloxydodecylpyridinium bromide (MDPB) (Clearfil protect bond) with a conventional self-etching primer without MDPB (Clearfil SE bond) against Streptococcus mutans and the effect of incorporation of MDPB on the tensile bond strength of the experimental self-etching primer (Clearfil protect bond). Materials and methods: The antibacterial activity of the self-etching primers was assessed using agar disk diffusion method and the diameters of the zones of inhibition were measured and ranked. For tensile bond strength testing, 20 noncarious human molars were selected and randomly divided into two groups comprising 10 teeth in each group. Group I specimens were treated with Clearfil SE bond (without MDPB). Group II specimens were treated with Clearfil protect bond (with MDPB). Composite material was placed incrementally and cured for 40 seconds in all the specimens. Tensile bond strength was estimated using the Instron Universal testing machine at a crosshead speed of 1 mm/min. Results: The addition of MDPB into a self-etching primer exerts potential antibacterial effect against S. mutans. The tensile bond strength of MDPB containing self-etching primer was slightly lower than that of the conventional self-etching Clearfil protect bond primer, but the difference was not statistically significant. Conclusion: Thus, a self-etching primer containing MDPB will be a boon to adhesive dentistry as it has bactericidal property with adequate tensile bond strength. Clinical significance: The concept of prevention of extension in adhesive dentistry would result in micro/nanoleakage due to the presence of residual bacteria in the cavity. Self-etching primers with MDPB would improve the longevity of such restorations by providing adequate antibacterial activity without compromising the bond strength. Keywords: Antibacterial property

  13. Amalgam shear bond strength to dentin using different bonding agents.

    Science.gov (United States)

    Vargas, M A; Denehy, G E; Ratananakin, T

    1994-01-01

    This study evaluated the shear bond strength of amalgam to dentin using five different bonding agents: Amalgambond Plus, Optibond, Imperva Dual, All-Bond 2, and Clearfil Liner Bond. Flat dentin surfaces obtained by grinding the occlusal portion of 50 human third molars were used for this study. To contain the amalgam on the tooth surface, cylindrical plastic molds were placed on the dentin and secured with sticky wax. The bonding agents were then applied according to the manufacturers' instructions or light activated and Tytin amalgam was condensed into the plastic molds. The samples were thermocycled and shear bond strengths were determined using an Instron Universal Testing Machine. Analysis by one-way ANOVA indicated significant difference between the five groups (P < 0.05). The bond strength of amalgam to dentin was significantly higher with Amalgambond Plus using the High-Performance Additive than with the other four bonding agents.

  14. A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions

    International Nuclear Information System (INIS)

    Solimannejad, Mohammad; Massahi, Shokofeh; Alkorta, Ibon

    2009-01-01

    Ab initio calculations at MP2/aug-cc-pVTZ level were used to analyze the interactions between nitrosyl hydride (HNO) dimers and trimers. The structures obtained have been analyzed with the Atoms in Molecules (AIMs) and Natural Bond Orbital (NBO) methodologies. Four minima were located on the potential energy surface of the dimers. Nine different structures have been obtained for the trimers. Three types of interactions are observed, NH···N and NH···O hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the nitrogen atom. Stabilization energies of dimers and trimers including BSSE and ZPE are in the range 4-8 kJ mol -1 and 12-19 kJ mol -1 , respectively. Blue shift of NH bond upon complex formation in the ranges between 30-80 and 14,114 cm -1 is predicted for dimers and trimers, respectively.

  15. A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions

    Science.gov (United States)

    Solimannejad, Mohammad; Massahi, Shokofeh; Alkorta, Ibon

    2009-07-01

    Ab initio calculations at MP2/aug-cc-pVTZ level were used to analyze the interactions between nitrosyl hydride (HNO) dimers and trimers. The structures obtained have been analyzed with the Atoms in Molecules (AIMs) and Natural Bond Orbital (NBO) methodologies. Four minima were located on the potential energy surface of the dimers. Nine different structures have been obtained for the trimers. Three types of interactions are observed, NH⋯N and NH⋯O hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the nitrogen atom. Stabilization energies of dimers and trimers including BSSE and ZPE are in the range 4-8 kJ mol -1 and 12-19 kJ mol -1, respectively. Blue shift of NH bond upon complex formation in the ranges between 30-80 and 14,114 cm -1 is predicted for dimers and trimers, respectively.

  16. Hydrogen bonding interactions between ethylene glycol and water:density,excess molar volume,and spectral study

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures. The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume,which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×10?6 (volume ratio) in the gas phase. Meanwhile,FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration,respectively. Furthermore,the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

  17. A single disulfide bond disruption in the β3 integrin subunit promotes thiol/disulfide exchange, a molecular dynamics study.

    Directory of Open Access Journals (Sweden)

    Lihie Levin

    Full Text Available The integrins are a family of membrane receptors that attach a cell to its surrounding and play a crucial function in cell signaling. The combination of internal and external stimuli alters a folded non-active state of these proteins to an extended active configuration. The β3 subunit of the platelet αIIbβ3 integrin is made of well-structured domains rich in disulfide bonds. During the activation process some of the disulfides are re-shuffled by a mechanism requiring partial reduction of some of these bonds; any disruption in this mechanism can lead to inherent blood clotting diseases. In the present study we employed Molecular Dynamics simulations for tracing the sequence of structural fluctuations initiated by a single cysteine mutation in the β3 subunit of the receptor. These simulations showed that in-silico protein mutants exhibit major conformational deformations leading to possible disulfide exchange reactions. We suggest that any mutation that prevents Cys560 from reacting with one of the Cys(567-Cys(581 bonded pair, thus disrupting its ability to participate in a disulfide exchange reaction, will damage the activation mechanism of the integrin. This suggestion is in full agreement with previously published experiments. Furthermore, we suggest that rearrangement of disulfide bonds could be a part of a natural cascade of thiol/disulfide exchange reactions in the αIIbβ3 integrin, which are essential for the native activation process.

  18. BOND STRENGTH OF SELF-ETCH ADHESIVES WITH PRIMARY AND PERMANENT TEETH DENTIN – IN VITRO STUDY.

    Directory of Open Access Journals (Sweden)

    Natalia Gateva

    2012-03-01

    Full Text Available Objective: The aim of this study was to compare dentin bond strength of primary and permanent teeth with self-etching adhesive systems. Methods: On 40 intact specimens of primary and permanent teeth was created flat dentin surfaces. The patterns were divided in 4 groups. Two different self-etching adhesive systems were used – one two steps (AdheSE, VivaDent and one one step (AdheSE One, VivaDent. Resin composite build-ups were constructed by means of convetional copper ring after applying the adhesive. The specimens were stored in water for 72 h at room temperature. After that specimens were tested for macrotensile bond strength. Debonded surfaces were analyzed by SEM.Conclusions: The measured values of dentin bond strength after applying self-etching adhesives are statistically significant in group of permanent teeth in comparison with group of primary teeth, and for both adhesive generations. Two steps self-etching adhesive provide significant stronger dentin bond strength with both dentitions in comparison with one step self-etching adhesive.

  19. Bony landmark between the attachment of the medial meniscus posterior root and the posterior cruciate ligament: CT and MR imaging assessment

    Energy Technology Data Exchange (ETDEWEB)

    Fujii, Masataka; Furumatsu, Takayuki; Miyazawa, Shinichi; Kodama, Yuya; Hino, Tomohito; Kamatsuki, Yusuke; Ozaki, Toshifumi [Okayama University Graduate School of Medicine, Dentistry, and Pharmaceutical Sciences, Department of Orthopaedic Surgery, Science of Functional Recovery and Reconstruction, Okayama (Japan)

    2017-08-15

    (1) To reveal the prevalence of the bony recess (posterior dimple) and (2) to determine the position of the posterior dimple on the tibial plateau using three-dimensional computed tomography (3DCT). In this study, a retrospective review of 112 patients was performed to identify the posterior dimple and to evaluate its position on 3DCT. Magnetic resonance images (MRIs) were also used to determine the positional relationship among the posterior cruciate ligament (PCL), medial meniscus posterior insertion (MMPI), and posterior dimple. The posterior dimple was observed in 100 of 112 knees (89.3%) on 3DCT. The center of the posterior dimple was 13.6 ± 0.8 mm from the medial tibial eminence apex. MRI showed that the posterior dimple separated the tibial attachment of the PCL and MMPI. This is the first study to discuss the prevalence and position of the bony recess in the posterior intercondylar fossa. (orig.)

  20. Bony landmark between the attachment of the medial meniscus posterior root and the posterior cruciate ligament: CT and MR imaging assessment

    International Nuclear Information System (INIS)

    Fujii, Masataka; Furumatsu, Takayuki; Miyazawa, Shinichi; Kodama, Yuya; Hino, Tomohito; Kamatsuki, Yusuke; Ozaki, Toshifumi

    2017-01-01

    (1) To reveal the prevalence of the bony recess (posterior dimple) and (2) to determine the position of the posterior dimple on the tibial plateau using three-dimensional computed tomography (3DCT). In this study, a retrospective review of 112 patients was performed to identify the posterior dimple and to evaluate its position on 3DCT. Magnetic resonance images (MRIs) were also used to determine the positional relationship among the posterior cruciate ligament (PCL), medial meniscus posterior insertion (MMPI), and posterior dimple. The posterior dimple was observed in 100 of 112 knees (89.3%) on 3DCT. The center of the posterior dimple was 13.6 ± 0.8 mm from the medial tibial eminence apex. MRI showed that the posterior dimple separated the tibial attachment of the PCL and MMPI. This is the first study to discuss the prevalence and position of the bony recess in the posterior intercondylar fossa. (orig.)

  1. "Sub Specie Boni": The Comfort Zone of Self-Belief--A Dimension in Counseling Offenders.

    Science.gov (United States)

    Church, James Lee

    1996-01-01

    Claims that self-defeating behavior is a rational attempt to satisfy early, introjected messages about the type of person one is, arising from a desire for things perceived as good--sub specie boni. Examines the notion of the comfort zone, toxic shame, and therapists' responsibility to nourish acceptable joy. (RJM)

  2. Value of diffusion weighted MRI in differentiating benign from malignant bony tumors and tumor like lesions

    Directory of Open Access Journals (Sweden)

    Samir Zaki Kotb

    2014-06-01

    Conclusion: DWI has been proven to be highly useful in the differentiation of benign, malignant bone tumors and tumor like bony lesions. Measurement of ADC values improves the accuracy of the diagnosis of bone tumors and tumor like lesions. Moreover, measurement of ADC values can be used in the follow up of tumors and their response to therapy.

  3. 127I Moessbauer study of some oxygen bonded iodine(I) and iodine(III) complexes

    International Nuclear Information System (INIS)

    Bardhan, M.; Birchall, T.; Frampton, C.; Kapoor, P.

    1988-01-01

    127 I Moessbauer spectra have been recorded at 4.2 0 K for a series of oxygen bonded iodine(I) and iodine(III) complexes. The sign of the quadrupole coupling constant is dependant only on the primary arrangement of ligands about the central iodine nucleus whereas the magnitude and the asymmetry parameter are more sensitive to ligand electronegativity and type. (orig.)

  4. Halogen bonded complexes between volatile anaeshetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study

    Czech Academy of Sciences Publication Activity Database

    Zierkiewicz, W.; Wieczorek, R.; Hobza, Pavel; Michalska, D.

    2011-01-01

    Roč. 13, č. 11 (2011), s. 5105-5113 ISSN 1463-9076 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : halogen bond * anaesthetics * ab initio calculation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.573, year: 2011

  5. H-Bonding Cooperativity Effects in Amyloids: Quantum Mechanical and Molecular Mechanics Study

    Czech Academy of Sciences Publication Activity Database

    Přenosil, Ondřej; Pitoňák, Michal; Sedlák, Robert; Kabeláč, Martin; Hobza, Pavel

    2011-01-01

    Roč. 225, č. 5 (2011), s. 553-574 ISSN 0942-9352 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : non- covalent interaction * hydrogen bond * amyloids * DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.568, year: 2011

  6. Study of the adsorption, electronic structure and bonding of C2H4 on the FeNi(1 1 1) surface

    International Nuclear Information System (INIS)

    Simonetti, S.; Brizuela, G.; Juan, A.

    2010-01-01

    The adsorption of C 2 H 4 on the FeNi(1 1 1) alloy surface has been studied by ASED-MO tight binding calculations. The C 2 H 4 molecule presents its most stable geometry with the C=C bond axis parallel to the surface along the [1, -1, 0] direction, bonded on top Fe atom and bonded along a Fe-Fe bridge site. As a consequence, the strength of the local Fe-Fe bond decreases between 37 and 62% of its original bulk value. This bond weakening is mainly due to the new C-Fe interactions however no Fe 3 C carbide formation is evidenced on surface. The Fe-Ni and Ni-Ni superficial bonds are only slightly modified.

  7. The role of the autonomic nervous system in hypertension: a bond graph model study

    International Nuclear Information System (INIS)

    Chen, Shuzhen; Gong, Yuexian; Dai, Kaiyong; Sui, Meirong; Yu, Yi; Ning, Gangmin; Zhang, Shaowen

    2008-01-01

    A bond graph model of the cardiovascular system with embedded autonomic nervous regulation was developed for a better understanding of the role of the autonomic nervous system (ANS) in hypertension. The model is described by a pump model of the heart and a detailed representation of the head and neck, pulmonary, coronary, abdomen and extremity circulation. It responds to sympathetic and parasympathetic activities by modifying systemic peripheral vascular resistance, heart rate, ventricular end-systolic elastance and venous unstressed volumes. The impairment of ANS is represented by an elevation of the baroreflex set point. The simulation results show that, compared with normotensive, in hypertension the systolic and diastolic blood pressure (SBP/DBP) rose from 112/77 mmHg to 144/94 mmHg and the left ventricular wall thickness (LVWT) increased from 10 mm to 12.74 mm. In the case that ANS regulation was absent, both the SBP and DBP further increased by 8 mmHg and the LVWT increased to 13.22 mm. The results also demonstrate that when ANS regulation is not severely damaged, e.g. the baroreflex set point is 97 mmHg, it still has an effect in preventing the rapid rise of blood pressure in hypertension; however, with the worsening of ANS regulation, its protective role weakens. The results agree with human physiological and pathological features in hemodynamic parameters and carotid baroreflex function curves, and indicate the role of ANS in blood pressure regulation and heart protection. In conclusion, the present model may provide a valid approach to study the pathophysiological conditions of the cardiovascular system and the mechanism of ANS regulation

  8. FTIR study of hydrogen bonding interaction between fluorinated alcohol and unsaturated esters

    Science.gov (United States)

    Sheng, Xia; Jiang, Xiaotong; Zhao, Hailiang; Wan, Dongjin; Liu, Yongde; Ngwenya, Cleopatra Ashley; Du, Lin

    2018-06-01

    The 1:1 complexes of two unsaturated esters with 2,2,2-trifluoroethanol (TFE) were investigated experimentally and computationally. The experimental observations of the spectral shifts of the OH-stretching vibrational transitions were obtained at 113 cm-1 for TFE-methyl acrylate (MA) and 92 cm-1 for TFE-vinyl acetate (VA). There are three docking sites in the two unsaturated esters for the incoming TFE. The predicted red shifts of the OH-stretching vibrational transitions were found to be larger for the Osbnd H⋯Odbnd C hydrogen bonded conformer than those for the Osbnd H⋯π and Osbnd H⋯O ones. The binding energies further prove that the Osbnd H⋯Odbnd C hydrogen bonded conformers are the most stable ones. On the basis of the DFT calculations as well as previous works, the carbonyl group is the best docking site for TFE. Furthermore, the thermodynamic equilibrium constants of TFE-MA and TFE-VA were obtained at 0.28 and 0.15 by combining the experimental spectra data and the DFT calculations. Consequently, the Gibbs free energies of formation were determined to be 3.2 and 4.8 kJ mol-1 for TFE-MA and TFE-VA, respectively. The quantum theory of atoms in molecules (AIM) and generalized Kohn-Sham energy decomposition analysis (GKS-EDA) were carried out for further characterization of the hydrogen bonding interactions. GKS-EDA shows an "electrostatic" dominated hydrogen bonding character for the Osbnd H⋯Odbnd C hydrogen bonds.

  9. A comparative study of shear bond strength of orthodontic bracket after acid-etched and Er:YAG treatment on enamel surface

    Science.gov (United States)

    Leão, Juliana C.; Mota, Cláudia C. B. O.; Cassimiro-silva, Patricia F.; Gomes, Anderson S. L.

    2016-02-01

    This study aimed to evaluate the shear bond strength (SBS) of teeth prepared for orthodontic bracket bonding with 37% phosphoric acid and Er:YAG laser. Forty bovine incisors were divided into two groups. In Group I, the teeth were conditioned with 37% phosphoric acid and brackets were bonded with Transbond XT; in Group II, the teeth were irradiated with Er:YAG and bonding with Transbond XT. After SBS test, the adhesive remnant index was determined. Adhesion to dental hard tissues after Er:YAG laser etching was inferior to that obtained after acid etching but exceeded what is believed to be clinically sufficient strength, and therefore can be used in patients.

  10. Endocrine and Local IGF-I in the Bony Fish Immune System.

    Science.gov (United States)

    Franz, Anne-Constance; Faass, Oliver; Köllner, Bernd; Shved, Natallia; Link, Karl; Casanova, Ayako; Wenger, Michael; D'Cotta, Helena; Baroiller, Jean-François; Ullrich, Oliver; Reinecke, Manfred; Eppler, Elisabeth

    2016-01-26

    A role for GH and IGF-I in the modulation of the immune system has been under discussion for decades. Generally, GH is considered a stimulator of innate immune parameters in mammals and teleost fish. The stimulatory effects in humans as well as in bony fish often appear to be correlated with elevated endocrine IGF-I (liver-derived), which has also been shown to be suppressed during infection in some studies. Nevertheless, data are still fragmentary. Some studies point to an important role of GH and IGF-I particularly during immune organ development and constitution. Even less is known about the potential relevance of local (autocrine/paracrine) IGF-I within adult and developing immune organs, and the distinct localization of IGF-I in immune cells and tissues of mammals and fish has not been systematically defined. Thus far, IGF-I has been localized in different mammalian immune cell types, particularly macrophages and granulocytes, and in supporting cells, but not in T-lymphocytes. In the present study, we detected IGF-I in phagocytic cells isolated from rainbow trout head kidney and, in contrast to some findings in mammals, in T-cells of a channel catfish cell line. Thus, although numerous analogies among mammals and teleosts exist not only for the GH/IGF-system, but also for the immune system, there are differences that should be further investigated. For instance, it is unclear whether the primarily reported role of GH/IGF-I in the innate immune response is due to the lack of studies focusing on the adaptive immune system, or whether it truly preferentially concerns innate immune parameters. Infectious challenges in combination with GH/IGF-I manipulations are another important topic that has not been sufficiently addressed to date, particularly with respect to developmental and environmental influences on fish growth and health.

  11. Endocrine and Local IGF-I in the Bony Fish Immune System

    Directory of Open Access Journals (Sweden)

    Anne-Constance Franz

    2016-01-01

    Full Text Available A role for GH and IGF-I in the modulation of the immune system has been under discussion for decades. Generally, GH is considered a stimulator of innate immune parameters in mammals and teleost fish. The stimulatory effects in humans as well as in bony fish often appear to be correlated with elevated endocrine IGF-I (liver-derived, which has also been shown to be suppressed during infection in some studies. Nevertheless, data are still fragmentary. Some studies point to an important role of GH and IGF-I particularly during immune organ development and constitution. Even less is known about the potential relevance of local (autocrine/paracrine IGF-I within adult and developing immune organs, and the distinct localization of IGF-I in immune cells and tissues of mammals and fish has not been systematically defined. Thus far, IGF-I has been localized in different mammalian immune cell types, particularly macrophages and granulocytes, and in supporting cells, but not in T-lymphocytes. In the present study, we detected IGF-I in phagocytic cells isolated from rainbow trout head kidney and, in contrast to some findings in mammals, in T-cells of a channel catfish cell line. Thus, although numerous analogies among mammals and teleosts exist not only for the GH/IGF-system, but also for the immune system, there are differences that should be further investigated. For instance, it is unclear whether the primarily reported role of GH/IGF-I in the innate immune response is due to the lack of studies focusing on the adaptive immune system, or whether it truly preferentially concerns innate immune parameters. Infectious challenges in combination with GH/IGF-I manipulations are another important topic that has not been sufficiently addressed to date, particularly with respect to developmental and environmental influences on fish growth and health.

  12. First Record of Eocene Bony Fishes and Crocodyliforms from Canada’s Western Arctic

    Science.gov (United States)

    Eberle, Jaelyn J.; Gottfried, Michael D.; Hutchison, J. Howard; Brochu, Christopher A.

    2014-01-01

    Background Discovery of Eocene non-marine vertebrates, including crocodylians, turtles, bony fishes, and mammals in Canada’s High Arctic was a critical paleontological contribution of the last century because it indicated that this region of the Arctic had been mild, temperate, and ice-free during the early – middle Eocene (∼53–50 Ma), despite being well above the Arctic Circle. To date, these discoveries have been restricted to Canada’s easternmost Arctic – Ellesmere and Axel Heiberg Islands (Nunavut). Although temporally correlative strata crop out over 1,000 km west, on Canada’s westernmost Arctic Island – Banks Island, Northwest Territories – they have been interpreted as predominantly marine. We document the first Eocene bony fish and crocodyliform fossils from Banks Island. Principal Findings We describe fossils of bony fishes, including lepisosteid (Atractosteus), esocid (pike), and amiid, and a crocodyliform, from lower – middle Eocene strata of the Cyclic Member, Eureka Sound Formation within Aulavik National Park (∼76°N. paleolat.). Palynology suggests the sediments are late early to middle Eocene in age, and likely spanned the Early Eocene Climatic Optimum (EECO). Conclusions/Significance These fossils extend the geographic range of Eocene Arctic lepisosteids, esocids, amiids, and crocodyliforms west by approximately 40° of longitude or ∼1100 km. The low diversity bony fish fauna, at least at the family level, is essentially identical on Ellesmere and Banks Islands, suggesting a pan-High Arctic bony fish fauna of relatively basal groups around the margin of the Eocene Arctic Ocean. From a paleoclimatic perspective, presence of a crocodyliform, gar and amiid fishes on northern Banks provides further evidence that mild, year-round temperatures extended across the Canadian Arctic during early – middle Eocene time. Additionally, the Banks Island crocodyliform is consistent with the phylogenetic hypothesis of a Paleogene divergence

  13. First record of eocene bony fishes and crocodyliforms from Canada's Western Arctic.

    Science.gov (United States)

    Eberle, Jaelyn J; Gottfried, Michael D; Hutchison, J Howard; Brochu, Christopher A

    2014-01-01

    Discovery of Eocene non-marine vertebrates, including crocodylians, turtles, bony fishes, and mammals in Canada's High Arctic was a critical paleontological contribution of the last century because it indicated that this region of the Arctic had been mild, temperate, and ice-free during the early - middle Eocene (∼53-50 Ma), despite being well above the Arctic Circle. To date, these discoveries have been restricted to Canada's easternmost Arctic - Ellesmere and Axel Heiberg Islands (Nunavut). Although temporally correlative strata crop out over 1,000 km west, on Canada's westernmost Arctic Island - Banks Island, Northwest Territories - they have been interpreted as predominantly marine. We document the first Eocene bony fish and crocodyliform fossils from Banks Island. We describe fossils of bony fishes, including lepisosteid (Atractosteus), esocid (pike), and amiid, and a crocodyliform, from lower - middle Eocene strata of the Cyclic Member, Eureka Sound Formation within Aulavik National Park (∼76°N. paleolat.). Palynology suggests the sediments are late early to middle Eocene in age, and likely spanned the Early Eocene Climatic Optimum (EECO). These fossils extend the geographic range of Eocene Arctic lepisosteids, esocids, amiids, and crocodyliforms west by approximately 40° of longitude or ∼1100 km. The low diversity bony fish fauna, at least at the family level, is essentially identical on Ellesmere and Banks Islands, suggesting a pan-High Arctic bony fish fauna of relatively basal groups around the margin of the Eocene Arctic Ocean. From a paleoclimatic perspective, presence of a crocodyliform, gar and amiid fishes on northern Banks provides further evidence that mild, year-round temperatures extended across the Canadian Arctic during early - middle Eocene time. Additionally, the Banks Island crocodyliform is consistent with the phylogenetic hypothesis of a Paleogene divergence time between the two extant alligatorid lineages Alligator

  14. Association between condylar morphology and changes in bony microstructure and subsynovial inflammation in experimental temporomandibular joint arthritis

    DEFF Research Database (Denmark)

    Kristensen, Kasper Dahl; Hauge, Ellen Margrethe; Dalstra, Michel

    2010-01-01

    Association between condylar morphology and changes in bony microstructure and subsynovial inflammation in experimental temporomandibular joint arthritis. 86. Congress of the European Orthodontic Society, Slovenien, 2010.......Association between condylar morphology and changes in bony microstructure and subsynovial inflammation in experimental temporomandibular joint arthritis. 86. Congress of the European Orthodontic Society, Slovenien, 2010....

  15. CAT & MAUS: A novel system for true dynamic motion measurement of underlying bony structures with compensation for soft tissue movement.

    Science.gov (United States)

    Jia, Rui; Monk, Paul; Murray, David; Noble, J Alison; Mellon, Stephen

    2017-09-06

    Optoelectronic motion capture systems are widely employed to measure the movement of human joints. However, there can be a significant discrepancy between the data obtained by a motion capture system (MCS) and the actual movement of underlying bony structures, which is attributed to soft tissue artefact. In this paper, a computer-aided tracking and motion analysis with ultrasound (CAT & MAUS) system with an augmented globally optimal registration algorithm is presented to dynamically track the underlying bony structure during movement. The augmented registration part of CAT & MAUS was validated with a high system accuracy of 80%. The Euclidean distance between the marker-based bony landmark and the bony landmark tracked by CAT & MAUS was calculated to quantify the measurement error of an MCS caused by soft tissue artefact during movement. The average Euclidean distance between the target bony landmark measured by each of the CAT & MAUS system and the MCS alone varied from 8.32mm to 16.87mm in gait. This indicates the discrepancy between the MCS measured bony landmark and the actual underlying bony landmark. Moreover, Procrustes analysis was applied to demonstrate that CAT & MAUS reduces the deformation of the body segment shape modeled by markers during motion. The augmented CAT & MAUS system shows its potential to dynamically detect and locate actual underlying bony landmarks, which reduces the MCS measurement error caused by soft tissue artefact during movement. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Study of a class of photovoltaic systems using a bond graph approach. Modeling, analysis and control; Etude d'une classe de systemes photovoltaiques par une approche bond graph. Modelisation, analyse et commande

    Energy Technology Data Exchange (ETDEWEB)

    Andoulsi, R.

    2001-12-01

    We present in this thesis a study of a class of photovoltaic system by a bond graph approach. This study concerns the modelling, the analysis and the control of some configurations including PV generator, DC/DC converters and DC motor-pumps. The modelling of the different elements of a photovoltaic system is an indispensable stage that must precede all application of sizing, identification or simulation. However, theses PV systems are of hybrid type and their modelling is complex. It is why we use a unified modelling approach based on the bond graph technique. This methodology is completely systematic and has a sufficient flexibility for allowing the introduction of different components in the system. In the first chapter, we recall the principle of functioning of a photovoltaic generator and we treat mainly the MPPT (Maximum Power Point Tracking) working. In the second chapter, we elaborate bond graph models of various photovoltaic system configurations. For the PV source, we elaborate, in a first stage, a complete model taking into account the various physical phenomena influencing the quality of the PV source. In a second stage, we deduce a reduced bond graph model more easy to use for analysis and control purposes. For the DC/DC converters, we recall the bond graph modelling of switching elements and the average bond graph of the DC/DC converters developed in the literature. Thus, we deduce the bond graphs models of the various DC/DC converters to be used. The third chapter presents a dynamic study of some configurations stability in linear procedure. In the fourth chapter, we study the feasibility of non linear controllers by input/output linearization for some configurations of PV systems. In this study, we use the concept of inverse bond graph to determine, by a bond graph approach, the expression of the control input and the nature of the stability of the internal dynamics (dynamics of zeros). The fifth chapter is dedicated for the presentation of some

  17. Comparative study of the shear bond strength of composite resin bonded to enamel treated with acid etchant and erbium, chromium: Yttrium, scandium, gallium, garnet laser

    Directory of Open Access Journals (Sweden)

    Adel Sulaiman Alagl

    2016-01-01

    Full Text Available Aim: The purpose of this investigation is in vitro comparison of the shear bond strength (SBS of composite resin bonded to enamel pretreated with an acid etchant against enamel etched with erbium, chromium: yttrium, scandium, gallium, garnet (Er, Cr:YSGG laser. Materials and Methods: Sixty premolars were sectioned mesiodistally and these 120 specimens were separated into two groups of 60 each (Groups A and B. In Group A (buccal surfaces, enamel surface was etched using 37% phosphoric acid for 15 s. In Group B (lingual surfaces, enamel was laser-etched at 2W for 10 s by Er, Cr:YSGG laser operational at 2780 nm with pulse duration of 140 μs and a frequency of 20 Hz. After application of bonding agent on all test samples, a transparent plastic cylinder of 1.5 mm × 3 mm was loaded with composite and bonded by light curing for 20 s. All the samples were subjected to SBS analysis using Instron Universal testing machine. Failure modes were observed under light microscope and grouped as adhesive, cohesive, and mixed. Failure mode distributions were compared using the Chi-square test. Results: SBS values obtained for acid-etched enamel were in the range of 7.12–28.36 megapascals (MPa and for laser-etched enamel were in the range of 6.23–23.35 MPa. Mean SBS for acid-etched enamel was 15.77 ± 4.38 MPa, which was considerably greater (P < 0.01 than laser-etched enamel 11.24 ± 3.76 MPa. The Chi-square test revealed that the groups showed no statistically significant differences in bond failure modes. Conclusions: We concluded that the mean SBS of composite with acid etching is significantly higher as compared to Er, Cr: YSGG (operated at 2W for 10 s laser-etched enamel.

  18. Conventional radiology in the bony compromise of Langerhans cells Histiocytosis

    International Nuclear Information System (INIS)

    Morales, Nilson; Gonzalez, Claudia Patricia; Melendez, Patricia; Terselich, Gretty

    1999-01-01

    We present a descriptive study of 47 patients who attended the National Cancer Institute in Bogota, Colombia with pathological diagnosis of Langerhans cell histiocytosis. We reviewed the most frequent conventional x-ray findings

  19. Boni mores and consent for child research in South Africa

    African Journals Online (AJOL)

    2015-05-22

    May 22, 2015 ... 2 HIV/AIDS Vaccines Ethics Group, School of Applied Human Sciences, University of ... procedural requirements for approving research – for example, if a study does not obtain ethical approval for consent to participation –.

  20. A spectroscopic study of the hydrogen bonding and pi-pi stacking interactions of harmane with quinoline.

    Science.gov (United States)

    Balón, M; Guardado, P; Muñoz, M A; Carmona, C

    1998-01-01

    A spectroscopic (UV-vis, Fourier transform IR, steady state, and time-resolved fluorescence) study of the interactions of the ground and excited singlet states of harmane (1-methyl-9H-pyrido/3,4-b/indole) with quinoline has been carried out in cyclohexane, toluene, and buffered pH=8.7 aqueous solutions. To analyze how the number of rings in the substrate influences these interactions, pyridine and phenanthridine have also been included in this study. In cyclohexane and toluene 1:1 stoichiometric hydrogen-bonded complexes are formed in both the ground and the excited singlet states. As the number of rings of the benzopyridines and the solvent polarity increase hydrogen-bonding interactions weaken and pi-pi van der Waals interactions become apparent.

  1. The use of image analysis for the study of interfacial bonding in solid composite propellant

    Directory of Open Access Journals (Sweden)

    JASMINA DOSTANIC

    2007-10-01

    Full Text Available In the framework of this research, the program Image Pro Plus was applied for determining the polymer–oxidizer interactions in HTPB-based composite propellants. In order to improve the interactions, different bonding agents were used, and their efficiency was analyzed. The determination of the quantity, area and radius of non-bonded oxidizer crystals is presented. The position of formed cracks in the specimen and their area has a great influence on the mechanical properties of composite propellant. The preparation of the composite propellant in order to enable the photographing of their structure by means of stereoscopic and metallographic microscopes with the digital camera is also described as well.

  2. A critical analysis of Islamic bond: A case study on Sunway Treasury Sukuk

    OpenAIRE

    Uddin, Md Akther; Sultan, Yousuf; Hosen, Mosharrof; Ullah, Nazim

    2015-01-01

    Sukuk has been playing a significant role in developing Islamic finance, more specifically, Islamic capital market. Islamic financial institutions have very limited number of liquid investments other than hard cash to hold as conventional short-term bonds, commercial papers and notes are interest based and prohibited in Shari’ah. The rapid growth in Sukuk market not only in Malaysia but also internationally indicates huge potential of this innovative financial instrument. In this paper, an at...

  3. Halogen bonds in crystal TTF derivatives: an ab initio quantum mechanical study

    Czech Academy of Sciences Publication Activity Database

    Deepa, Palanisamy; Pandiyan, B. V.; Kolandaivel, P.; Hobza, Pavel

    2014-01-01

    Roč. 16, č. 5 (2014), s. 2038-2047 ISSN 1463-9076 R&D Projects: GA ČR GBP208/12/G016 Grant - others:Operational Program Research and Development for Innovations(XE) CZ 1.05/2.1.00/03/0058 Institutional support: RVO:61388963 Keywords : hydrogen-bonds * noncovalent interactions * sigma-hole Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.493, year: 2014

  4. Non-Destructive Evaluation of Kissing Bonds using Local Defect Resonance (LDR) Spectroscopy: A Simulation Study

    Science.gov (United States)

    Delrue, S.; Tabatabaeipour, M.; Hettler, J.; Van Den Abeele, K.

    With the growing demand from industry to optimize and further develop existing Non-Destructive Testing & Evaluation (NDT&E) techniques or new methods to detect and characterize incipient damage with high sensitivity and increased quality, ample efforts have been devoted to better understand the typical behavior of kissing bonds, such as delaminations and cracks. Recently, it has been shown experimentally that the nonlinear ultrasonic response of kissing bonds could be enhanced by using Local Defect Resonance (LDR) spectroscopy. LDR spectroscopy is an efficient NDT technique that takes advantage of the characteristic fre- quencies of the defect (defect resonances) in order to provide maximum acoustic wave-defect interaction. In fact, for nonlinear methodologies, the ultrasonic excitation of the sample should occur at either multiples or integer ratios of the characteristic defect resonance frequencies, in order to obtain the highest signal-to-noise response in the nonlinear LDR spectroscopy. In this paper, the potential of using LDR spectroscopy for the detection, localization and characterization of kissing bonds is illustrated using a 3D simulation code for elastic wave propagation in materials containing closed but dynamically active cracks or delaminations. Using the model, we are able to define an appropriate method, based on the Scaling Subtraction Method (SSM), to determine the local defect resonance frequencies of a delamination in a composite plate and to illustrate an increase in defect nonlinearity due to LDR. The simulation results will help us to obtain a better understanding of the concept of LDR and to assist in the further design and testing of LDR spectroscopy for the detection, localization and characterization of kissing bonds.

  5. The Effect of Two Soft Drinks on Bracket Bond Strength and on Intact and Sealed Enamel: An In Vitro Study

    OpenAIRE

    Pasha, Azam; Sindhu, D; Nayak, Rabindra S; Mamatha, J; Chaitra, K R; Vishwakarma, Swati

    2015-01-01

    Background and Objectives: This study was conducted to evaluate the effect of two soft drinks, Coca-Cola and Mirinda orange on bracket bond strength, on adhesive remnant on teeth after debonding the bracket, and to observe by means of scanning electron microscope (SEM) the effect of these drinks on intact and sealed enamel. Methods: 120 non-carious maxillary premolar teeth already extracted for Orthodontic purposes were taken and divided into three groups, i.e., Coca-Cola drink, Mirinda orang...

  6. A study of laser surface treatment in bonded repair of composite aircraft structures.

    Science.gov (United States)

    Li, Shaolong; Sun, Ting; Liu, Chang; Yang, Wenfeng; Tang, Qingru

    2018-03-01

    Surface pre-treatment is one of the key processes in bonded repair of aircraft carbon fibre reinforced polymer composites. This paper investigates the surface modification of physical and chemical properties by laser ablation and conventional polish treatment techniques. Surface morphology analysed by laser scanning confocal microscopy and scanning electron microscopy showed that a laser-treated surface displayed higher roughness than that of a polish-treated specimen. The laser-treated laminate exhibited more functional groups in the form of O 1 s/C 1 s atomic ratio of 30.89% for laser-treated and 20.14% for polish-treated as evidenced by X-ray photoelectron spectroscopy observation. Contact angle goniometry demonstrated that laser treatment can provide increased surface free energy and wettability. In the light of mechanical interlocking, molecular bonding and thermodynamics theories on adhesion, laser etching process displayed enhanced bonding performance relative to the polishing surface treatment. These properties resulted in an increased single lap shear strength and a cohesive failure mode for laser etching while an adhesive failure mode occurred in polish-treated specimen.

  7. [Preliminary study of bonding strength between diatomite-based dental ceramic and veneering porcelains].

    Science.gov (United States)

    Lu, Xiao-li; Gao, Mei-qin; Cheng, Yu-ye; Zhang, Fei-min

    2015-04-01

    In order to choose the best veneering porcelain for diatomite-based dental ceramic substrate, the bonding strength between diatomite-based dental ceramics and veneering porcelains was measured, and the microstructure and elements distribution of interface were analyzed. The coefficient of thermal expansion (CTE) of diatomite-based dental ceramics was detected by dilatometry. Three veneering porcelain materials were selected with the best CTE matching including alumina veneering porcelain (group A), titanium porcelain veneering porcelain (group B), and E-max veneering porcelain (group C). Shear bonding strength was detected. SEM and EDS were used to observe the interface microstructure and element distribution. Statistical analysis was performed using SPSS 17.0 software package. The CTE of diatomite-based dental ceramics at 25-500 degrees centigrade was 8.85×10-6K-1. The diatomite-based substrate ceramics combined best with group C. Shear bonding strength between group A and C and group B and C both showed significant differences(P<0.05). SEM and EDS showed that the interface of group C sintered tightly and elements permeated on both sides of the interface. The diatomite-based substrate ceramics combines better with E-max porcelain veneer.

  8. Analysis on Adhesively-Bonded Joints of FRP-steel Composite Bridge under Combined Loading : Arcan Test Study and Numerical Modeling

    NARCIS (Netherlands)

    Jiang, X.; Qiang, X.; Kolstein, M.H.; Bijlaard, F.S.K.

    2016-01-01

    The research presented in this paper is an experimental study and numerical analysis on mechanical behavior of the adhesively-bonded joint between FRP sandwich bridge deck and steel girder. Generally, there are three typical stress states in the adhesively-bonded joint: shear stress, tensile stress,

  9. The significance of a hypoplastic bony canal for the cochlear nerve in patients with sensorineural hearing loss: CT and MRI findings

    International Nuclear Information System (INIS)

    Choi, Yoon Jung; Park, Sang Yoo; Kim, Myung Soon; Sung, Ki Jun

    2004-01-01

    The purpose of this study is to evaluate the significance of the hypoplastic canal for the cochlear nerve in patients with sensorineural hearing loss (SNHL) and the relationship between the hypoplastic bony canal and aplasia or hypoplasia of the cochlear nerve. A retrospective review of high resolution temporal CT(HRCT) and MRI findings was conducted. The narrow bony canal of the cochlear nerve and the relative size of the internal auditory canal were correlated with the cochlear nerve deficiency on MRI. The comparative size of the component nerves (facial, cochlear, superior vestibular, inferior vestibular nerve), and the relative size of the internal auditory canal and the bony canal of the cochlear nerve were measured. The clinical history and the results of the clinical examination were reviewed for each patient. High resolution MRI showed aplasia of the common vestibulocochlear nerve in one patient and a deficiency of the cochlear nerve in 9 patients. These abnormalities occurred in association with a prominent narrowing of the canal for the cochlear nerve and a stenosis of the internal auditory canal, which was observed on temporal bone CT in 9 patients with congenital SNHL. Three patients had normal IAC, despite the presence of a hypoplastic cochlear nerve on the side on which they had SNHL. In one patient, the narrowing of the canal for the cochlear nerve and internal auditory canal were not found to be associated with acquired SNHL. The hypoplastic bony canal for the cochlear nerve might be more highly indicative of congenital cochlear nerve deficiency than that of the narrow internal auditory canal, and the position of the crista falciformis should also be carefully

  10. The significance of a hypoplastic bony canal for the cochlear nerve in patients with sensorineural hearing loss: CT and MRI findings

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Yoon Jung; Park, Sang Yoo; Kim, Myung Soon; Sung, Ki Jun [College of Medicine, Yonsei Univ., Wonju (Korea, Republic of)

    2004-04-01

    The purpose of this study is to evaluate the significance of the hypoplastic canal for the cochlear nerve in patients with sensorineural hearing loss (SNHL) and the relationship between the hypoplastic bony canal and aplasia or hypoplasia of the cochlear nerve. A retrospective review of high resolution temporal CT(HRCT) and MRI findings was conducted. The narrow bony canal of the cochlear nerve and the relative size of the internal auditory canal were correlated with the cochlear nerve deficiency on MRI. The comparative size of the component nerves (facial, cochlear, superior vestibular, inferior vestibular nerve), and the relative size of the internal auditory canal and the bony canal of the cochlear nerve were measured. The clinical history and the results of the clinical examination were reviewed for each patient. High resolution MRI showed aplasia of the common vestibulocochlear nerve in one patient and a deficiency of the cochlear nerve in 9 patients. These abnormalities occurred in association with a prominent narrowing of the canal for the cochlear nerve and a stenosis of the internal auditory canal, which was observed on temporal bone CT in 9 patients with congenital SNHL. Three patients had normal IAC, despite the presence of a hypoplastic cochlear nerve on the side on which they had SNHL. In one patient, the narrowing of the canal for the cochlear nerve and internal auditory canal were not found to be associated with acquired SNHL. The hypoplastic bony canal for the cochlear nerve might be more highly indicative of congenital cochlear nerve deficiency than that of the narrow internal auditory canal, and the position of the crista falciformis should also be carefully.

  11. 18F-FDG PET demonstrates previously unvisualised bony metastases in a lung cancer patient

    International Nuclear Information System (INIS)

    Bradley, J.; Rowe, C.; Scott, A.M.

    2002-01-01

    Full text: A 59-year-old male, presented to his local doctor with the trivial complaint of a persistent dry cough. On clinical examination he was found to have an enlarged right supraclavicular lymph node. He was investigated with chest X-ray, Computerised Tomography (CT) and Fine Needle Aspiration Cytology (FNAC) of the palpable node CT showed a right lung mass, bulky hilar, mediastinal, supraclavicular and cervical lymph nodes FNAC was inconclusive due to an insufficient tissue sample, but suggestive of non-Hodgkin's Lymphoma. Hence excisional node biopsy was required which revealed non-small cell lung cancer (NSCLC). Subsequent CT scans of the abdomen and pelvis for staging revealed no distant involvement. Therefore radical radiotherapy was planned to treat the locally advanced disease. Prior to treatment a Positron Emission Tomography (PET) scan was organised by his specialist as a baseline study to monitor therapy progress. Non-Attenuation corrected images of the chest, abdomen and pelvis were obtained 40 minutes post administration of 394 MBq 18 F-FDG, on a Siemens 951/3IR PET scanner. The images were reconstructed using both Filtered Back Projection (FBP) and Ordered Subsets-Expectation Maximization (OSEM) algorithms. The images revealed extensive metastases particularly in the spine and pelvis, besides the known locally advanced thoracic disease A 99m Tc MDP bone scan and plain film radiographs aimed at confirming bony metastases were negative, even though the bone scan noted a slight focus in the right fourth rib. The appearance suggested trauma, but a solitary bone metastasis could not be ruled out MRI of the spine confirmed the PET scan findings. Mr RD was to have curative radical radiotherapy, but after the PET results, it was decided to treat him palliatively. The value of 18 F-FDG PET in staging some cancers such as NSCLC is widely accepted, in this case it was pivotal in altering the patient's management. Copyright (2002) The Australian and New

  12. Three-Dimensional Reconstruction of the Bony Nasolacrimal Canal by Automated Segmentation of Computed Tomography Images.

    Directory of Open Access Journals (Sweden)

    Lucia Jañez-Garcia

    Full Text Available To apply a fully automated method to quantify the 3D structure of the bony nasolacrimal canal (NLC from CT scans whereby the size and main morphometric characteristics of the canal can be determined.Cross-sectional study.36 eyes of 18 healthy individuals.Using software designed to detect the boundaries of the NLC on CT images, 36 NLC reconstructions were prepared. These reconstructions were then used to calculate NLC volume. The NLC axis in each case was determined according to a polygonal model and to 2nd, 3rd and 4th degree polynomials. From these models, NLC sectional areas and length were determined. For each variable, descriptive statistics and normality tests (Kolmogorov-Smirnov and Shapiro-Wilk were established.Time for segmentation, NLC volume, axis, sectional areas and length.Mean processing time was around 30 seconds for segmenting each canal. All the variables generated were normally distributed. Measurements obtained using the four models polygonal, 2nd, 3rd and 4th degree polynomial, respectively, were: mean canal length 14.74, 14.3, 14.80, and 15.03 mm; mean sectional area 15.15, 11.77, 11.43, and 11.56 mm2; minimum sectional area 8.69, 7.62, 7.40, and 7.19 mm2; and mean depth of minimum sectional area (craniocaudal 7.85, 7.71, 8.19, and 8.08 mm.The method proposed automatically reconstructs the NLC on CT scans. Using these reconstructions, morphometric measurements can be calculated from NLC axis estimates based on polygonal and 2nd, 3rd and 4th polynomial models.

  13. Study on the bonding strength between calcium phosphate/chitosan composite coatings and a Mg alloy substrate

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Jie [School of Chemistry Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Pharmacy College, Jiamusi University, Jiamusi 154007 (China); Dai Changsong, E-mail: changsd@hit.edu.cn [School of Chemistry Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Wei Jie [School of Chemistry Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); School of Chemistry and Bioengineering, Suzhou Science Technology University, Suzhou 215009 (China); Wen Zhaohui, E-mail: wenzhaohui1968@163.com [Department of Neuro intern, First Affiliated Hospital of Harbin Medical University, Harbin 150001 (China)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Calcium phosphate/chitosan composite coatings on the MAO-AZ91D alloy were prepared. Black-Right-Pointing-Pointer The bonding force between the coating and the magnesium alloy was optimized. Black-Right-Pointing-Pointer The composite coating slowed down the corrosion rate of magnesium alloy in m-SBF. - Abstract: In order to improve the bonding strength between calcium phosphate/chitosan composite coatings and a micro-arc oxidized (MAO)-AZ91D Mg alloy, different influencing parameters were investigated in the process of electrophoretic deposition (EPD) followed by conversion in a phosphate buffer solution (PBS). Surface morphology and phase constituents of the as-prepared materials were investigated by using X-ray diffractometer (XRD), Fourier-transformed infrared spectrophotometer (FTIR), Raman spectrometer, scanning electron microscope (SEM) with an energy dispersive spectrometer (EDS), and a thermo gravimetric and differential thermal analyzer (TG-DTA). Scratch tests were carried out to study the bonding properties between the coatings and the substrates. In vitro immersion tests were conducted to determine the corrosion behaviors of samples with and without deposit layers through electrochemical experiments. In the EPD process, the acetic acid content in the electrophoresis suspension and the electrophoretic voltage played important roles in improving the bonding properties, while the contents of chitosan (CS) and nano-hydroxyapatite (nHA, Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2}) in the suspension had less significant influences on the mechanical bonding strength. It was observed that the coatings showed the excellent bonding property when an electrophoretic voltage was in a range of 40-110 V with other reagent amounts as follows: acetic acid: 4.5 vol.%, CS {<=} 0.25 g, nHA {<=} 2.0 g in 200 ml of a CS-acetic acid aqueous solution and nHA {<=} 2.5 g in 300 ml of absolute ethanol. The morphology of the composite coating

  14. Study on the bonding strength between calcium phosphate/chitosan composite coatings and a Mg alloy substrate

    International Nuclear Information System (INIS)

    Zhang Jie; Dai Changsong; Wei Jie; Wen Zhaohui

    2012-01-01

    Highlights: ► Calcium phosphate/chitosan composite coatings on the MAO-AZ91D alloy were prepared. ► The bonding force between the coating and the magnesium alloy was optimized. ► The composite coating slowed down the corrosion rate of magnesium alloy in m-SBF. - Abstract: In order to improve the bonding strength between calcium phosphate/chitosan composite coatings and a micro-arc oxidized (MAO)-AZ91D Mg alloy, different influencing parameters were investigated in the process of electrophoretic deposition (EPD) followed by conversion in a phosphate buffer solution (PBS). Surface morphology and phase constituents of the as-prepared materials were investigated by using X-ray diffractometer (XRD), Fourier-transformed infrared spectrophotometer (FTIR), Raman spectrometer, scanning electron microscope (SEM) with an energy dispersive spectrometer (EDS), and a thermo gravimetric and differential thermal analyzer (TG–DTA). Scratch tests were carried out to study the bonding properties between the coatings and the substrates. In vitro immersion tests were conducted to determine the corrosion behaviors of samples with and without deposit layers through electrochemical experiments. In the EPD process, the acetic acid content in the electrophoresis suspension and the electrophoretic voltage played important roles in improving the bonding properties, while the contents of chitosan (CS) and nano-hydroxyapatite (nHA, Ca 10 (PO 4 ) 6 (OH) 2 ) in the suspension had less significant influences on the mechanical bonding strength. It was observed that the coatings showed the excellent bonding property when an electrophoretic voltage was in a range of 40–110 V with other reagent amounts as follows: acetic acid: 4.5 vol.%, CS ≤ 0.25 g, nHA ≤ 2.0 g in 200 ml of a CS–acetic acid aqueous solution and nHA ≤ 2.5 g in 300 ml of absolute ethanol. The morphology of the composite coating obtained under the above optimal condition had a flake-like crystal structure. The EPD in

  15. Effect of miscarriage history on maternal-infant bonding during the first year postpartum in the first baby study: a longitudinal cohort study.

    Science.gov (United States)

    Bicking Kinsey, Cara; Baptiste-Roberts, Kesha; Zhu, Junjia; Kjerulff, Kristen H

    2014-07-15

    Miscarriage, the unexpected loss of pregnancy before 20 weeks gestation, may have a negative effect on a mother's perception of herself as a capable woman and on her emotional health when she is pregnant again subsequent to the miscarriage. As such, a mother with a history of miscarriage may be at greater risk for difficulties navigating the process of becoming a mother and achieving positive maternal-infant bonding with an infant born subsequent to the loss. The aim of this study was to examine the effect of miscarriage history on maternal-infant bonding after the birth of a healthy infant to test the hypothesis that women with a history of miscarriage have decreased maternal-infant bonding compared to women without a history of miscarriage. We completed secondary analysis of the First Baby Study, a longitudinal cohort study, to examine the effect of a history of miscarriage on maternal-infant bonding at 1 month, 6 months, and 12 months after women experienced the birth of their first live-born baby. In a sample of 2798 women living in Pennsylvania, USA, we tested our hypothesis using linear regression analysis of Shortened Postpartum Bonding Questionnaire (S-PBQ) scores, followed by longitudinal analysis using a generalized estimating equations model with repeated measures. We found that women with a history of miscarriage had similar S-PBQ scores as women without a history of miscarriage at each of the three postpartum time points. Likewise, longitudinal analysis revealed no difference in the pattern of maternal-infant bonding scores between women with and without a history of miscarriage. Women in the First Baby Study with a history of miscarriage did not differ from women without a history of miscarriage in their reported level of bonding with their subsequently born infants. It is important for clinicians to recognize that even though some women may experience impaired bonding related to a history of miscarriage, the majority of women form a healthy bond

  16. The thermodynamic stability of hydrogen bonded and cation bridged complexes of humic acid models-A theoretical study

    International Nuclear Information System (INIS)

    Aquino, Adelia J.A.; Tunega, Daniel; Pasalic, Hasan; Haberhauer, Georg; Gerzabek, Martin H.; Lischka, Hans

    2008-01-01

    Hydrogen bonded and cation bridged complexation of poly(acrylic acid) oligomers, representing a model compound for humic acids, with acetic acid and the herbicide (4-chloro-2-methylphenoxy) acetic acid (MCPA) have been studied by means of density functional theory. Solvation effects were computed by means of a combination of microsolvation (explicit insertion of water molecules) and global solvation (polarizable continuum approach). The stability of hydrogen bonded complexes in solution is characterized by a strong competition between solute and solvent molecules. The cation bridged complexes of the negatively charged (deprotonated) ligands were found to be strongly favored explaining the capability of humic acids to fixate anionic species from soil solutions and the ability to form cross-linking structures within the humic acid macromolecules

  17. ESI-MS study on non-covalent bond complex of rhFKBP12 and new neurogrowth promoter

    Institute of Scientific and Technical Information of China (English)

    WANG; Hongxia; (王红霞); ZHANG; Xuemin; (张学敏); YANG; Songcheng; (杨松成); XIAO; Junhai; (肖军海); NIE; Aihua; (聂爱华); ZHAO; Liqin; (赵丽琴); LI; Song; (李松)

    2003-01-01

    An ESI-MS method for studying the non-covalent bond complex of rhFKBP12 with its nonimmunosuppressive ligands was developed. The method was used to screen out three compounds capable of binding to rhFKBP12 non-covalently from 52 compounds. By competing binding experiment, the binding site and the relative binding strength of these three compounds 000107, 000308 and A2B12 with rhFKBP12 were measured. All of them have the same binding site as FK506 does. X-ray crystalline diffraction experiment of non-covalent bond complex of 000107, 000308 with rhFKBP12 by Tsinghua University showed the same results. Among them 000308 has good effect on stimulating neurite to grow in chicken sensory neuronal cultures.

  18. Parturition pit: the bony imprint of vaginal birth

    International Nuclear Information System (INIS)

    McArthur, Tatum A.; Meyer, Isuzu; Jackson, Bradford; Pitt, Michael J.; Larrison, Matthew C.

    2016-01-01

    To retrospectively evaluate for pits along the dorsum of the pubic body in females and compare the presence/absence of these pits to vaginal birth data. We retrospectively reviewed females with vaginal birth data who underwent pelvic CT. The presence of pits along the dorsum of the pubic body, pit grade (0 = not present; 1 = faintly imperceptible; 2 = present; 3 = prominent), and the presence of osteitis condensans ilii, preauricular sulcus, and sacroiliac joint vacuum phenomenon were assessed on imaging. Musculoskeletal radiologists who were blinded to the birth data evaluated the CTs. 48 males were also evaluated for the presence of pits. 482 female patients underwent CT pelvis and 171 were excluded due to lack of vaginal birth data. Of the 311 study patients, 262 had prior vaginal birth(s) and 194 had pits on CT. Only 7 of the 49 patients without prior vaginal birth had pits. There was a statistically significant association between vaginal birth and presence of pits (p < 0.0001). Patients with more prominent pits (grades 2/3) had a greater number of vaginal births. As vaginal deliveries increased, the odds of having parturition pits greatly increased, adjusting for age and race at CT (p < 0.0001). No males had pits. Our study indicates that parturition pits are associated with prior vaginal birth and should be considered a characteristic of the female pelvis. The lytic appearance of prominent pits on imaging can simulate disease and create a diagnostic dilemma for interpreting radiologists. (orig.)

  19. Bonds Boom.

    Science.gov (United States)

    Reynolds, Cathryn

    1989-01-01

    The combined effect of the "Serrano" decision and Proposition 13 left California school districts with aging, overcrowded facilities. Chico schools won a $18.5 million general obligation bond election for facilities construction. With $11 billion needed for new school construction, California will need to tap local sources. A sidebar…

  20. A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions

    Energy Technology Data Exchange (ETDEWEB)

    Solimannejad, Mohammad, E-mail: m-solimannejad@araku.ac.ir [Quantum Chemistry Group, Department of Chemistry, Arak University, 38156-879 Arak (Iran, Islamic Republic of); Massahi, Shokofeh [Quantum Chemistry Group, Department of Chemistry, Arak University, 38156-879 Arak (Iran, Islamic Republic of); Alkorta, Ibon, E-mail: ibon@iqm.csic.es [Instituto de Quimica Medica (CSIC), Juan de la Cierva, 3, 28006 Madrid (Spain)

    2009-07-30

    Ab initio calculations at MP2/aug-cc-pVTZ level were used to analyze the interactions between nitrosyl hydride (HNO) dimers and trimers. The structures obtained have been analyzed with the Atoms in Molecules (AIMs) and Natural Bond Orbital (NBO) methodologies. Four minima were located on the potential energy surface of the dimers. Nine different structures have been obtained for the trimers. Three types of interactions are observed, NH{center_dot}{center_dot}{center_dot}N and NH{center_dot}{center_dot}{center_dot}O hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the nitrogen atom. Stabilization energies of dimers and trimers including BSSE and ZPE are in the range 4-8 kJ mol{sup -1} and 12-19 kJ mol{sup -1}, respectively. Blue shift of NH bond upon complex formation in the ranges between 30-80 and 14,114 cm{sup -1} is predicted for dimers and trimers, respectively.

  1. A comparison of hydrogen-bonded and van der Waals isomers of phenolṡṡnitrogen and phenolṡṡcarbon monoxide: An ab initio study

    Science.gov (United States)

    Chapman, Darren M.; Müller-Dethlefs, Klaus; Peel, J. Barrie

    1999-08-01

    The hydrogen-bonded and van der Waals isomers of phenolṡṡnitrogen and phenolṡṡcarbon monoxide in their neutral electronic (S0) and cation ground state (D0) were studied using ab initio HF/6-31G*, MP2/6-31G*, and B3LYP/6-31G* methods. The hydrogen-bonded isomers have the ligand bound via the hydroxyl group of the phenol ring, while the van der Waals isomers studied have the ligand located above the aromatic ring. For both complexes, the hydrogen-bonded isomer was found to be the most stable form for both the S0 and the D0 states. For phenolṡṡcarbon monoxide, twice as many isomers as compared to phenolṡṡnitrogen were found. The hydrogen-bonded isomer with the carbon end bonded to the hydroxyl group was the most stable structure for both the S0 and the D0 states.

  2. Altering intra- to inter-molecular hydrogen bonding by dimethylsulfoxide: A TDDFT study of charge transfer for coumarin 343

    Science.gov (United States)

    Liu, Xiaochun; Yin, Hang; Li, Hui; Shi, Ying

    2017-04-01

    DFT and TDDFT methods were carried out to investigate the influences of intramolecular and intermolecular hydrogen bonding on excited state charge transfer for coumarin 343 (C343). Intramolecular hydrogen bonding is formed between carboxylic acid group and carbonyl group in C343 monomer. However, in dimethylsulfoxide (DMSO) solution, DMSO 'opens up' the intramolecular hydrogen bonding and forms solute-solvent intermolecular hydrogen bonded C343-DMSO complex. Analysis of frontier molecular orbitals reveals that intramolecular charge transfer (ICT) occurs in the first excited state both for C343 monomer and complex. The results of optimized geometric structures indicate that the intramolecular hydrogen bonding interaction is strengthened while the intermolecular hydrogen bonding is weakened in excited state, which is confirmed again by monitoring the shifts of characteristic peaks of infrared spectra. We demonstrated that DMSO solvent can not only break the intramolecular hydrogen bonding to form intermolecular hydrogen bonding with C343 but also alter the mechanism of excited state hydrogen bonding strengthening.

  3. Bonding in inorganic compounds: a study by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Avanzino, S.C.

    1978-10-01

    Core electron binding energies were measured for a variety of inorganic and organometallic compounds using gas-phase X-ray photoelectron spectroscopy (XPS). The atomic charge distributions in these molecules are deduced from the binding energies, often leading to a better understanding of the bonding in these compounds. The XPS spectra of fifteen volatile tin compounds were recorded. The data suggest that the metal d orbitals are not significantly involved in the bonding. The oxygen ls XPS spectra of gaseous CH 3 Mn(CO) 5 , [π-C 5 H 5 Fe(CO) 2 ] 2 , and Co 4 (CO) 12 can be readily resolved into separate peaks due to bridging and terminal carbonyl groups. The C ls spectrum of Fe(CO) 5 consists of a single symmetric peak. The carbonyl ligand core binding energies of transition-metal carbonyl complexes are sensitive to differences in the metal-to-CO ligand bonding. Both C ls and O ls carbonyl binding energies correlate well with average C-O stretching force constants or average C-O stretching frequencies. The metal and carbonyl binding energies in a series of pentacarbonylmanganese complexes LMn(CO) 5 are a good measure of the relative electronegativities of the ligands L. High-quality X-ray photoelectron spectra have been obtained for compounds dissolved in glycerin solutions, and aqueous solutions were converted into glycerin solutions which gave good XRSspectra of the solutes. The technique appears promising as a future analytical application of X-ray photoelectron spectroscopy. The shifts in the binding energies of oxygen, chlorine, and carbon atoms in some isoelectronic isostructural compounds can be explained in terms of simple trends in atomic charges

  4. {sup 13}C-NMR studies on disulfide bond isomerization in bovine pancreatic trypsin inhibitor (BPTI)

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Mitsuhiro [Kumamoto University, Department of Structural BioImaging, Faculty of Life Sciences (Japan); Miyanoiri, Yohei [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan); Terauchi, Tsutomu [Tokyo Metropolitan University, Graduate School of Science and Engineering (Japan); Kainosho, Masatsune, E-mail: kainosho@tmu.ac.jp [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan)

    2016-09-15

    Conformational isomerization of disulfide bonds is associated with the dynamics and thus the functional aspects of proteins. However, our understanding of the isomerization is limited by experimental difficulties in probing it. We explored the disulfide conformational isomerization of the Cys14–Cys38 disulfide bond in bovine pancreatic trypsin inhibitor (BPTI), by performing an NMR line-shape analysis of its Cys carbon peaks. In this approach, 1D {sup 13}C spectra were recorded at small temperature intervals for BPTI samples selectively labeled with site-specifically {sup 13}C-enriched Cys, and the recorded peaks were displayed in the order of the temperature after the spectral scales were normalized to a carbon peak. Over the profile of the line-shape, exchange broadening that altered with temperature was manifested for the carbon peaks of Cys14 and Cys38. The Cys14–Cys38 disulfide bond reportedly exists in equilibrium between a high-populated (M) and two low-populated states (m{sub c14} and m{sub c38}). Consistent with the three-site exchange model, biphasic exchange broadening arising from the two processes was observed for the peak of the Cys14 α-carbon. As the exchange broadening is maximized when the exchange rate equals the chemical shift difference in Hz between equilibrating sites, semi-quantitative information that was useful for establishing conditions for {sup 13}C relaxation dispersion experiments was obtained through the carbon line-shape profile. With respect to the m{sub c38} isomerization, the {sup 1}H-{sup 13}C signals at the β-position of the minor state were resolved from the major peaks and detected by exchange experiments at a low temperature.

  5. DFT Study of the Structure, Reactivity, Natural Bond Orbital and Hyperpolarizability of Thiazole Azo Dyes

    Directory of Open Access Journals (Sweden)

    Osman I. Osman

    2017-02-01

    Full Text Available The structure, reactivity, natural bond orbital (NBO, linear and nonlinear optical (NLO properties of three thiazole azo dyes (A, B and C were monitored by applying B3LYP, CAM-B3LYP and ωB97XD functionals with 6-311++G** and aug-cc-pvdz basis sets. The geometrical parameters,dipolemoments,HOMO-LUMO(highest occupied molecular orbital,lowest unoccupied molecular orbital energy gaps, absorption wavelengths and total hyperpolarizabilities were investigated in carbon tetrachloride (CCl4 chloroform (CHCl3, dichloromethane (CH2Cl2 and dimethlysulphoxide (DMSO. The donor methoxyphenyl group deviates from planarity with the thiazole azo moiety by ca. 38◦; while the acceptor dicyanovinyl, indandione and dicyanovinylindanone groups diverge by ca. 6◦. The HOMOs for the three dyes are identical. They spread over the methoxyphenyl donor moiety, the thiazole and benzene rings as π-bonding orbitals. The LUMOs are shaped up by the nature of the acceptor moieties. The LUMOs of the A, B and C dyes extend over the indandione, malononitrile and dicyanovinylindanone acceptor moieties, respectively, as π-antibonding orbitals. The HOMO-LUMO splittings showed that Dye C is much more reactive than dyes A and B. Compared to dyes A and B, Dye C yielded a longer maximum absorption wavelength because of the stabilization of its LUMOs relative to those of the other two. The three dyes show solvatochromism accompanied by significant increases in hyperpolarizability. The enhancement of the total hyperpolarizability of C compared to those of A and B is due to the cumulative action of the long π-conjugation of the indanone ring and the stronger electron-withdrawing ability of the dicyanovinyl moiety that form the dicyanovinylindanone acceptor group. These findings are facilitated by a natural bond orbital (NBO technique. The very high total hyperpolarizabilities of the three dyes define their potent nonlinear optical (NLO behaviour.

  6. Effect of solvent on proton location and dynamic behavior in short intramolecular hydrogen bonds studied by molecular dynamics simulations and NMR experiments

    Energy Technology Data Exchange (ETDEWEB)

    Mori, Yukie, E-mail: mori.yukie@ocha.ac.jp; Masuda, Yuichi

    2015-09-08

    Highlights: • MD simulations were performed to study dynamics of strong hydrogen bonds. • Nuclear magnetic relaxation times of proton were measured in solution. • The hydrogen bond of dibenzoylmethane enol is asymmetric in methanol solution. • Formation or breakage of intermolecular hydrogen bonds can trigger proton transfer. • Dimethylsulfoxide may form a bifurcated hydrogen bond with a hydrogen-bonded system. - Abstract: Hydrogen phthalate anion has a short strong O–H–O hydrogen bond (H-bond). According to previous experimental studies, the H-bond is asymmetric and two tautomers are interconverted in aqueous solutions. In the present study, the effects of polar solvents on the H-bond in a zwitterionic hydrogen phthalate derivative 1 were investigated by quantum mechanics/molecular mechanics molecular dynamics (MD) simulations. The analyses of the trajectories for the methanol solution showed that the H-bonding proton tends to be located closer to the carboxylate group that forms fewer intermolecular H-bonds, than to the other carboxylate group and that the intramolecular proton transfer in 1 is triggered by the breakage and/or formation of an intermolecular H-bond. The enol form of dibenzoylmethane (2) also has a short H-bond, and the OH bond is reported to be rather long (>1.1 Å) in the crystal. In the present study, the effects of the solvent on the H-bond in 2 were investigated by molecular orbital (MO) calculations, MD simulations and nuclear magnetic resonance (NMR) spectroscopy. Density functional theory (DFT) calculations for 2 in vacuum indicated that the barrier height for the intramolecular proton transfer is almost the same as the zero-point energy of the vibrational ground state, resulting in broad distribution of the proton density along the H-bond, owing to the nuclear quantum effect. The OH distances were determined in CCl{sub 4}, acetonitrile, and dimethylsulfoxide solutions from the magnetic dipolar interactions between the {sup 17

  7. Effect of solvent on proton location and dynamic behavior in short intramolecular hydrogen bonds studied by molecular dynamics simulations and NMR experiments

    International Nuclear Information System (INIS)

    Mori, Yukie; Masuda, Yuichi

    2015-01-01

    Highlights: • MD simulations were performed to study dynamics of strong hydrogen bonds. • Nuclear magnetic relaxation times of proton were measured in solution. • The hydrogen bond of dibenzoylmethane enol is asymmetric in methanol solution. • Formation or breakage of intermolecular hydrogen bonds can trigger proton transfer. • Dimethylsulfoxide may form a bifurcated hydrogen bond with a hydrogen-bonded system. - Abstract: Hydrogen phthalate anion has a short strong O–H–O hydrogen bond (H-bond). According to previous experimental studies, the H-bond is asymmetric and two tautomers are interconverted in aqueous solutions. In the present study, the effects of polar solvents on the H-bond in a zwitterionic hydrogen phthalate derivative 1 were investigated by quantum mechanics/molecular mechanics molecular dynamics (MD) simulations. The analyses of the trajectories for the methanol solution showed that the H-bonding proton tends to be located closer to the carboxylate group that forms fewer intermolecular H-bonds, than to the other carboxylate group and that the intramolecular proton transfer in 1 is triggered by the breakage and/or formation of an intermolecular H-bond. The enol form of dibenzoylmethane (2) also has a short H-bond, and the OH bond is reported to be rather long (>1.1 Å) in the crystal. In the present study, the effects of the solvent on the H-bond in 2 were investigated by molecular orbital (MO) calculations, MD simulations and nuclear magnetic resonance (NMR) spectroscopy. Density functional theory (DFT) calculations for 2 in vacuum indicated that the barrier height for the intramolecular proton transfer is almost the same as the zero-point energy of the vibrational ground state, resulting in broad distribution of the proton density along the H-bond, owing to the nuclear quantum effect. The OH distances were determined in CCl 4 , acetonitrile, and dimethylsulfoxide solutions from the magnetic dipolar interactions between the 17 O and 1

  8. Effects of six different preventive treatments on the shear bond strength of orthodontic brackets: in vitro study

    Directory of Open Access Journals (Sweden)

    Gianguido Cossellu

    2015-01-01

    Full Text Available Objective: The aim of this study is to evaluate the effect of six different prophylactic agents on shear bond strength (SBS of orthodontic brackets. Materials and methods: One hundred twenty-six freshly extracted mandibular bovine incisors were used. Teeth were randomly divided into 7 equal groups (18 per group as follows: group-1 served as control with no pre-treatment; group-2 enamel treated with fluoride varnish (Fluor Protector, Ivoclar Vivadent; group-3 containing casein-phosphopeptide–amorphous calcium-phosphate (CPP–ACP paste (GC Tooth Mousse, RECALDENT™; group-4 with ozone (HealOzone, Kavo; group-5 with glycine powder (Perio Flow, EMS; group-6 with hydroxyapatite powder 99.5% (Coswell S.p.A.; group-7 with a toothpaste made of hydroxyapatite nanocrystals (BioRepair® Plus, Coswell S.p.A. Brackets were all bonded using the same technique with transbond XT (3 M Unitek, Monrovia, CA. All the bonded specimens were stored for 24 h in deionized water (37 °C and subjected to thermal cycling for 1000 cycles. The SBS was measured with an Instron Universal Testing machine and the adhesive remnant was assessed with the adhesive remnant index (ARI using a stereomicroscope at 10× magnification. Results: Statistical differences (ANOVA were found among the seven investigated groups (F = 12.226, p < 0.001. SBS of groups 2, 5 and 6 were significantly lower than the control group (p < 0.05. ARI scores (chi-square test were correlated with the differences of SBS values. Conclusion: CPP–ACP paste, ozone or BioRepair® did not compromise on bracket bond strength. Fluoride, glycine or hydroxyapatite significantly decreased the SBS; only the fluoride group showed significant clinically low (<6 MPa SBS values.

  9. Study on the Optimum Cutting Parameters of an Aluminum Mold for Effective Bonding Strength of a PDMS Microfluidic Device

    Directory of Open Access Journals (Sweden)

    Caffiyar Mohamed Yousuff

    2017-08-01

    Full Text Available Master mold fabricated using micro milling is an easy way to develop the polydimethylsiloxane (PDMS based microfluidic device. Achieving high-quality micro-milled surface is important for excellent bonding strength between PDMS and glass slide. The aim of our experiment is to study the optimal cutting parameters for micro milling an aluminum mold insert for the production of a fine resolution microstructure with the minimum surface roughness using conventional computer numerical control (CNC machine systems; we also aim to measure the bonding strength of PDMS with different surface roughnesses. Response surface methodology was employed to optimize the cutting parameters in order to obtain high surface smoothness. The cutting parameters were demonstrated with the following combinations: 20,000 rpm spindle speed, 50 mm/min feed rate, depth of cut 5 µm with tool size 200 µm or less; this gives a fine resolution microstructure with the minimum surface roughness and strong bonding strength between PDMS–PDMS and PDMS–glass.

  10. Microtensile Bond Strength of Embrace Wetbond Hydrophilic Sealant in Different Moisture Contamination: An In-Vitro Study.

    Science.gov (United States)

    Panigrahi, Antarmayee; Srilatha, K T; Panigrahi, Rajat G; Mohanty, Susant; Bhuyan, Sanat K; Bardhan, Debojyoti

    2015-07-01

    Contamination of etched enamel with saliva has been shown to result in sealant failure. Recently, a hydrophilic sealant has been introduced. In absence of documented literature, this in vitro study was undertaken to ascertain the efficacy of Embrace Wet Bond without reduction of microtensile bond strength in the different moisture contamination. A 5mm block of sealant were built over prepared occlusal surface of 40 non-carious therapeutically extracted third molars which were sectioned into 1mm thick stick and tested using Zwick micro tensile tester. Obtained data were subjected to descriptive analysis, one-way ANOVA and Scheffe's post-hoc tests. Mean microtensile bond strength of Embrace sealant was not significantly lowered in different moisture contamination groups except Group 3 (air drying), which showed very highly significant (p<0.001) decrease in μTBS as compared to Group 1 (non-contaminated). Mean μTBS of Embrace sealant remains largely unchanged even in presence of moisture. Owing to its hydrophilic property, this sealant can be a great help in cases where maintaining isolation is difficult.

  11. Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study.

    Science.gov (United States)

    Matus, Myrna H; Garza, Jorge; Galván, Marcelo

    2006-01-26

    The electronic structure of the ciguatoxin 3C is analyzed through the Kohn-Sham model by using two different kinds of basis sets: localized basis set (Gaussian functions) and nonlocalized basis set (plane wave functions). With the localized basis functions, two approximations are used for the exchange-correlation functional: the local density approximation and the generalized gradient approximation. With the nonlocalized basis set, just the local density approximation is used. The energy gap, obtained from the frontier molecular orbitals, for this molecule predicts that this system is a semiconductor, even when the number of double bonds is increased inside the structure. However, as large molecules built with the basic unit--the tetrahydropyrane--of the ciguatoxin 3C are found in nature, it suggests studying the gap in polymeric systems built with the basic unit of this molecule. It is demonstrated that the presence of double bonds reduces considerably the gap, indicating the possibility of forming conducting materials by introducing double bonds in this kind of molecular systems. Thus, molecules strongly linked with biological systems can be used as precursor to build electric conducting systems.

  12. Study of diffusion bond development in 6061 aluminum and its relationship to future high density fuels fabrication.

    Energy Technology Data Exchange (ETDEWEB)

    Prokofiev, I.; Wiencek, T.; McGann, D.

    1997-10-07

    Powder metallurgy dispersions of uranium alloys and silicides in an aluminum matrix have been developed by the RERTR program as a new generation of proliferation-resistant fuels. Testing is done with miniplate-type fuel plates to simulate standard fuel with cladding and matrix in plate-type configurations. In order to seal the dispersion fuel plates, a diffusion bond must exist between the aluminum coverplates surrounding the fuel meat. Four different variations in the standard method for roll-bonding 6061 aluminum were studied. They included mechanical cleaning, addition of a getter material, modifications to the standard chemical etching, and welding methods. Aluminum test pieces were subjected to a bend test after each rolling pass. Results, based on 400 samples, indicate that at least a 70% reduction in thickness is required to produce a diffusion bond using the standard rollbonding method versus a 60% reduction using the Type II method in which the assembly was welded 100% and contained open 9mm holes at frame corners.

  13. A study on hydrogen bond in coal macerals with in situ diffuse reflectance FTIR by using a new experimental method

    Energy Technology Data Exchange (ETDEWEB)

    Li, D.T.; Li, W.; Sun, Q.L.; Li, B.Q. [Chinese Academy of Science, Taiyuan (China). Inst. for Coal Chemistry

    2003-04-01

    A new method using the small porcelain as the reactor combined with increasing the flow rate of carrier gas was proposed, which has the advantage of excluding the condensation of volatile produced by heated solid samples on the windows during in situ diffuse reflectance FTIR experiment. Moreover, the feasibility of this method was also discussed. Using this method, the distribution and thermal stability of hydrogen bonds in coal macerals obtained from two coals were studied. The results show that the differences between the distribution of hydrogen bonds formed by hydroxyl group in the macerals of two coals were very similar. For the vitrinites the thermal stability of SH-N, carboxylic acid dimmers and self-associated OH is higher than those in inertinites but for OH-N and hydroxyl tetramers and OH-OR{sub 2} there are no obvious laws. For OH-{pi}, its content increased with increasing temperature to 350-380{sup o}C, and then decreased with further heating. The variation of hydrogen bonds in macerals reflects the difference in their structure.

  14. Locking a molecular bond: A case study of CsI

    DEFF Research Database (Denmark)

    Szakács, Tamás; Amstrup, Bjarne; Gross, Peter

    1994-01-01

    This paper treats the problem of locking a molecular bond at a length other than the equilibrium distance, with the help of optical electric fields. Locking conditions for single-color fields are examined, and slowly decaying locked wave functions are sought. These were functions are then used...... as target functions in an optimal control procedure. The resultant solution is an optimal field that creates a wave function as close as possible to the target function, followed by the application of a locking single-color field that can keep a large part of this wave function at the given position...

  15. Studies of the ultrasonic testing scheme on bonding quality in shield blanket of ITER

    International Nuclear Information System (INIS)

    Shi Sichao; Shen Jingling; He Fengqi; Jin Wanping

    2007-01-01

    International Thermonuclear Experimental Reactor (ITER) is an international cooperative item. One of its components, the First Wall (FW) functioning as neutron shielding and cooling, is an important part. According to the component materials, structural features, testing requirements of the FW, and the ultrasonic propagation characteristics, it is suggested that Broad-band ultrasonic can be used to test the bonding quality of the FW. According to the case mentioned above, the Broad-band Ultrasonic Testing scheme was presented, and the ultrasonic testing feasibility was analyzed theoretically in this paper. (authors)

  16. Prostate position relative to pelvic bony anatomy based on intraprostatic gold markers and electronic portal imaging

    International Nuclear Information System (INIS)

    Schallenkamp, John M.; Herman, Michael G.; Kruse, Jon J.; Pisansky, Thomas M.

    2005-01-01

    Purpose: To describe the relative positions and motions of the prostate, pelvic bony anatomy, and intraprostatic gold fiducial markers during daily electronic portal localization of the prostate. Methods and Materials: Twenty prostate cancer patients were treated supine with definitive external radiotherapy according to an on-line target localization protocol using three or four intraprostatic gold fiducial markers and an electronic portal imaging device. Daily pretherapy and through-treatment electronic portal images (EPIs) were obtained for each of four treatment fields. The patients' pelvic bony anatomy, intraprostatic gold markers, and a best visual match to the target (i.e., prostate) were identified on simulation digitally reconstructed radiographs and during daily treatment setup and delivery. These data provided quantitative inter- and intrafractional analysis of prostate motion, its position relative to the bony anatomy, and the individual intraprostatic fiducial markers. Treatment planning margins, with and without on-line localization, were subsequently compared. Results: A total of 22,266 data points were obtained from daily pretherapy and through-treatment EPIs. The pretherapy three-dimensional (3D) average displacement of the fiducial markers, as a surrogate for the prostate, was 5.6 mm, which improved to 2.8 mm after use of the localization protocol. The bony anatomy 3D average displacement was 4.4 mm both before and after localization to the prostate (p = 0.46). Along the superior-inferior (SI), anterior-posterior (AP), and right-left (RL) axes, the average prostate displacement improved from 2.5, 3.7, and 1.9 mm, respectively, before localization to 1.4, 1.6, and 1.1 mm after (all p < 0.001). The pretherapy to through-treatment position of the bony landmarks worsened from 1.7 to 2.5 mm (p < 0.001) in the SI axis, remained statistically unchanged at 2.8 mm (p = 0.39) in the AP axis, and improved from 2.0 to 1.2 mm in the RL axis (p < 0.001). There

  17. Medial depression with bony dehiscence of lamina papyracea as an anatomic variation: CT evaluation

    International Nuclear Information System (INIS)

    Na, Sun Young; Lee, Young Uk; Youn, Eun Kyung; Suh, Sang Gyung; Kim, Dong Hyun

    1994-01-01

    To evaluate the incidence and CT findings of the medial depression and bony dehiscence of lamina papyracea as an anatomic variation. 1472 PNS CTs of the patients with symptoms of chronic sinusitis were retrospectively evaluated. The total incidence of depressed lamina papyracea as an anatomic variation was 3.5%(52/1472) on PNS CT. There was a statistically significant correlation between the increasing age and the incidence of depressed lamina papyracea. Depression of lamina papyracea anterior to the basal lamella were more common than those of the posterior depression. Associated findings were herniation of adjacent fatty tissue in all cases and the medial bowing and hypertrophied configuration of the medial rectus muscle without significant herniation in 19 cases(34%). Nontraumatic, asymptomatic depression with bony dehiscence of lamina papyracea as an anatomic variation is not uncommon with the incidence of 3.5%. Recognition of its existence and degree may be helpful in avoiding various ocular complication during ethmoid surgery

  18. X-ray and neutron tomography on the bony inner ear of baleen whales

    International Nuclear Information System (INIS)

    Arlt, Tobias; Wieder, Frank; Hampe, Oliver; Manke, Ingo; Ritsche, Indira; Fahlke, Julia M.

    2018-01-01

    During their evolution whales and dolphins developed a highly specialized hearing organ for orientation in their deep sea territory covering a broad acoustic spectrum. The internal anatomy of the periotic bone, especially the morphology of the cochlea, has a significant influence on the hearing capability of mammals. The bony and fossilized cochleae of several fossil representatives of extinct baleen whales (e.g., Cetotheriidae) and modern rorquals (Balaenopteridae) and right whales, as well as cochleae of an archaeocete and some land mammals are investigated by X-ray and neutron tomography in order to record morphological changes that may be responsible for the development of low frequency hearing. Differences in the cochlear morphology have been determined by means of morphometric parameters, such as the number of turns, the length of the cochlea, and the curvature of the cochlear canal. In particular, X-ray tomography enables a high resolution display of the bony inner ear.

  19. Effect of fluoridated casein phospopeptide-amorphous-calcium phosphate complex, chlorhexidine fluoride mouthwash on shear bond strength of orthodontic brackets: A comparative in vitro study

    Directory of Open Access Journals (Sweden)

    C A Abdul Shahariyar

    2016-01-01

    Full Text Available Objective: The aim of the current study was to determine the effects of casein phosphopeptide amorphous calcium-phosphate (CPP-ACP complex, chlorhexidine fluoride mouthwash on shear bond strengths (SBSs of orthodontic brackets. Materials and Methods: About sixty extracted healthy human premolar teeth with intact buccal enamel were divided into two equal groups to which brackets were bonded using self-etching primers (SEPs and conventional means respectively. These were further equally divided into three subgroups - (1 control (2 CPP-ACP (3 chlorhexidine fluoride mouthwash. The SBSs were then measured using a universal testing machine. Results: SBS of the conventional group was significantly higher than the self-etching group. The intragroup differences were statistically insignificant. Conclusion: CPP-ACP, chlorhexidine fluoride mouthwash did not adversely affect SBS of orthodontic brackets irrespective of the method of conditioning. Brackets bonded with conventional technique showed greater bond strengths as compared to those bonded with SEP.

  20. A Comparison of an Acid Primer (Clearfil Liner Bond 2V with Other Conventional Etchants on the Shear Bond Strength and the Bracket—Adhesive Failure Mode: An ex vivo Study

    Directory of Open Access Journals (Sweden)

    Ashish Garg

    2013-01-01

    Results and conclusion: The results of the study indicated that acidic primer containing both the enamel etchant and primer have adequate bond strength with decreased residual adhesive left on the enamel surface after debonding, thereby maintaining a sound unblemished enamel surface after debonding orthodontic brackets and less chances of iatrogenic enamel fracture and crazing along with decreased chairside time.

  1. Valor predicts the thyroid hormones in the evolution the transplant bony marrow

    International Nuclear Information System (INIS)

    Alonso, C.A.; Carnot, J.; De Castro, R.; Morera, M.L.; Garcia, I.

    1998-01-01

    In this work you values the valor I predict the thyroid hormones in the bony marrow transplant evolution as factors the metabolisms oxidative and the synthesis albumins. The patients received conditioning treatments to the transplant and in the postoperational. The received radiations were 1000 cGy lateral cube, with blocking lung, to those that were subjected 3 sessions irradiation, they are practiced a transplant marrow allogeneic

  2. Neurotrophin-3 Induces BMP-2 and VEGF Activities and Promotes the Bony Repair of Injured Growth Plate Cartilage and Bone in Rats.

    Science.gov (United States)

    Su, Yu-Wen; Chung, Rosa; Ruan, Chun-Sheng; Chim, Shek Man; Kuek, Vincent; Dwivedi, Prem P; Hassanshahi, Mohammadhossein; Chen, Ke-Ming; Xie, Yangli; Chen, Lin; Foster, Bruce K; Rosen, Vicki; Zhou, Xin-Fu; Xu, Jiake; Xian, Cory J

    2016-06-01

    Injured growth plate is often repaired by bony tissue causing bone growth defects, for which the mechanisms remain unclear. Because neurotrophins have been implicated in bone fracture repair, here we investigated their potential roles in growth plate bony repair in rats. After a drill-hole injury was made in the tibial growth plate and bone, increased injury site mRNA expression was observed for neurotrophins NGF, BDNF, NT-3, and NT-4 and their Trk receptors. NT-3 and its receptor TrkC showed the highest induction. NT-3 was localized to repairing cells, whereas TrkC was observed in stromal cells, osteoblasts, and blood vessel cells at the injury site. Moreover, systemic NT-3 immunoneutralization reduced bone volume at injury sites and also reduced vascularization at the injured growth plate, whereas recombinant NT-3 treatment promoted bony repair with elevated levels of mRNA for osteogenic markers and bone morphogenetic protein (BMP-2) and increased vascularization and mRNA for vascular endothelial growth factor (VEGF) and endothelial cell marker CD31 at the injured growth plate. When examined in vitro, NT-3 promoted osteogenesis in rat bone marrow stromal cells, induced Erk1/2 and Akt phosphorylation, and enhanced expression of BMPs (particularly BMP-2) and VEGF in the mineralizing cells. It also induced CD31 and VEGF mRNA in rat primary endothelial cell culture. BMP activity appears critical for NT-3 osteogenic effect in vitro because it can be almost completely abrogated by co-addition of the BMP inhibitor noggin. Consistent with its angiogenic effect in vivo, NT-3 promoted angiogenesis in metatarsal bone explants, an effect abolished by co-treatment with anti-VEGF. This study suggests that NT-3 may be an osteogenic and angiogenic factor upstream of BMP-2 and VEGF in bony repair, and further studies are required to investigate whether NT-3 may be a potential target for preventing growth plate faulty bony repair or for promoting bone fracture healing. © 2016

  3. Radiographic detection of artificial intra-bony defects in the edentulous area.

    Science.gov (United States)

    Van Assche, N; Jacobs, R; Coucke, W; van Steenberghe, D; Quirynen, M

    2009-03-01

    Since intra-bony pathologies might jeopardize implant outcome, their preoperative detection is crucial. In sixteen human cadaver bloc sections from upper and lower jaws, artificial defects with progressively increasing size (n=7) have been created. From each respective defect, analogue and digital intra-oral radiographs were taken, the latter processed via a periodontal filter and afterwards presented in black-white as well as in colour, resulting in three sets of 7 images per bloc section. Eight observers were asked to diagnosis an eventual defect on randomly presented radiographs, and at another occasion to rank each set based on the defect size. The clinicians were only able to identify a defect, when the junctional area was involved, except for bony pieces with a very homogeneous structure. For longitudinal evaluation of healing bone (e.g. after tooth extraction), colour digital images can be recommended. These observations indicate that intra-oral radiographs are not always reliable for the detection of any intra-bony defect.

  4. Reliability of the Bony Anatomy in Image-Guided Stereotactic Radiotherapy of Brain Metastases

    International Nuclear Information System (INIS)

    Guckenberger, Matthias; Baier, Kurt; Guenther, Iris; Richter, Anne; Wilbert, Juergen; Sauer, Otto; Vordermark, Dirk; Flentje, Michael

    2007-01-01

    Purpose: To evaluate whether the position of brain metastases remains stable between planning and treatment in cranial stereotactic radiotherapy (SRT). Methods and Materials: Eighteen patients with 20 brain metastases were treated with single-fraction (17 lesions) or hypofractionated (3 lesions) image-guided SRT. Median time interval between planning and treatment was 8 days. Before treatment a cone-beam CT (CBCT) and a conventional CT after application of i.v. contrast were acquired. Setup errors using automatic bone registration (CBCT) and manual soft-tissue registration of the brain metastases (conventional CT) were compared. Results: Tumor size was not significantly different between planning and treatment. The three-dimensional setup error (mean ± SD) was 4.0 ± 2.1 mm and 3.5 ± 2.2 mm according to the bony anatomy and the lesion itself, respectively. A highly significant correlation between automatic bone match and soft-tissue registration was seen in all three directions (r ≥ 0.88). The three-dimensional distance between the isocenter according to bone match and soft-tissue registration was 1.7 ± 0.7 mm, maximum 2.8 mm. Treatment of intracranial pressure with steroids did not influence the position of the lesion relative to the bony anatomy. Conclusion: With a time interval of approximately 1 week between planning and treatment, the bony anatomy of the skull proved to be an excellent surrogate for the target position in image-guided SRT

  5. Microscopic dynamics of the hydrogen bonded systems studied by quasi-elastic slow neutron scattering

    International Nuclear Information System (INIS)

    Padureanu, I.; Aranghel, D.; Radulescu, A.; Ion, M.; Lechner, R. E.; Desmedt, A.; Pieper, J.

    2002-01-01

    The detailed understanding of the dynamical properties in highly viscous liquids such as glycerol, as well the supercooled and glassy state has attracted a great deal of attention. Glycerol is a hydrogen bonded forming system considered as intermediate between fragile and strong glasses with a glass transition temperature T g ∼ 185 K, melting temperature T m 290 K and a sound velocity V S ∼ 3330 m/s. Incoherent neutron scattering experiments from glasses generally show a broad feature with a maximum around 2 to 10 meV. This large contribution of such unusual low frequency excitations obeying the Bose-Einstein statistics to the density of states is referred to as 'boson peak' (BP) with a maximum near a frequency of 1 THz. A very much-debated question is the dramatic changes in the properties as well as the nature of the boson peak and the acoustic modes occurring in the neighborhood of this frequency. So far the experiments were not able to give a definite answer concerning the excitations giving rise to the boson peak. The inelastic X-ray scattering across the liquid glass transition in glycerol revealed propagating collective excitations in the whole liquid-glass transition temperature range. This conclusion challenges the present understanding of glasses and supercooled liquids particularly with their thermal properties. New experiments at lower temperatures than those investigated so far where the phonon scattering processes are less hard have been proposed. The relationship between the low frequency features, the microscopic structure, the nature of the forces and the atomic motions taking place at low frequencies is still an open question. According to the mode coupling theory (MCT) the glass transition is interpreted as a two-step process where the glass structure is softened by fast local motions (β - process) until some temperature T c >T g , where the structure breaks down leading to diffusion (α-process). It is an open question, whether MCT can

  6. Mechanical properties and chemical bonding of the Os–B system: A first-principles study

    International Nuclear Information System (INIS)

    Ji Zongwei; Hu Chaohao; Wang Dianhui; Zhong Yan; Yang Jiong; Zhang Wenqing; Zhou Huaiying

    2012-01-01

    The mechanical properties of Os–B compounds containing different boron contents have been investigated systemically by first-principles calculations. Two previously unreported crystal structures of Os 2 B 5 and OsB 3 , crystallizing in space groups R3m and P-6m2 respectively, are determined using the ab initio evolutionary structure prediction. The calculated elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and hardness for Os–B compounds are in good agreement with the available experimental values. Our results show that the hardness of osmium borides increases with increasing boron content. Os 2 B 5 and OsB 3 , with hardnesses of 34.4 and 36.9 GPa respectively, can almost be considered as potential superhard materials. Further analyses on density of states, crystal orbital Hamilton population, and electron localization function demonstrate that the electronic structure of Os–B compounds is directly responsible for their particular mechanical properties. High hardness in Os 2 B 5 and OsB 3 is mainly attributed to the occurrence of strong B–B covalent bonds and the disappearance of some ductile Os–Os metallic bonds.

  7. Experimental study on tensile bifurcation of nanoscale Cu film bonded to polyethylene terephthalate substrate

    International Nuclear Information System (INIS)

    Men, Yutao; Wang, Shibin; Jia, Haikun; Wu, Zhiliang; Li, Linan; Zhang, Chunqiu

    2013-01-01

    Cu films are widely used in flexible electronic products. Tensile mechanical properties of the film determine product performance. In this paper, tensile experiments of sputtered Cu films on a polyethylene terephthalate (PET) substrate were carried out under an optical microscope. In the experiments, three changes took place under tension: uniform deformation, microcrack initiation and propagation, and microcrack saturation. The elastic modulus of the Cu film is 120 GPa and is independent of film thickness since the film is formed to be continuous in the nanoscale range. Film thickness is an important parameter to decide the tensile properties. The critical fracture strain, the interfacial bonding strength, and the crack spacing after saturation are related to film thickness. The critical strain and the interfacial bonding strength of the nanoscale Cu film tend to ascend then to descend as film thickness increases. The microcrack spacing is in direct proportion to film thickness after the microcrack saturates. The optimum thickness of the sputtered Cu films on the PET substrate is about 500 nm. - Highlights: • The elastic modulus of the Cu films is 120 GPa and does not change with thickness. • The optimal thickness of the Cu films is about 500 nm. • The critical strain tends to ascend then to descend as film thickness increases. • The interfacial strength changes in accordance with the critical strain. • Microcrack spacing is proportional to film thickness after the microcrack saturates

  8. Evaluation of Bond Strength between Grooved Titanium Alloy Implant Abutments and Provisional Veneering Materials after Surface Treatment of the Abutments: An In vitro Study.

    Science.gov (United States)

    Venkat, Gowtham; Krishnan, Murugesan; Srinivasan, Suganya; Balasubramanian, Muthukumar

    2017-01-01

    Titanium has become the material of choice with greater applications in dental implants. The success of the dental implant does not only depend on the integration of the implant to the bone but also on the function and longevity of the superstructure. The clinical condition that demands long-term interim prosthesis is challenging owing to the decreased bond between the abutment and the veneering material. Hence, various surface treatments are done on the abutments to increase the bond strength. This study aimed to evaluate the bond strength between the abutment and the provisional veneering materials by surface treatments such as acid etching, laser etching, and sand blasting of the abutment. Forty titanium alloy abutments of 3 mm diameter and 11 mm height were grouped into four groups with ten samples. Groups A, B, C, and D are untreated abutments, sand blasted with 110 μm aluminum particles, etched with 1% hydrofluoric acid and 30% nitric acid, and laser etched with Nd: YAG laser, respectively. Provisional crowns were fabricated with bis-acrylic resin and cemented with noneugenol temporary luting cement. The shear bond strength was measured in universal testing machine using modified Shell-Nielsen shear test after the cemented samples were stored in water at 25°C for 24 h. Load was applied at a constant cross head speed of 5 mm/min until a sudden decrease in resistance indicative of bond failure was observed. The corresponding force values were recorded, and statistical analysis was done using one-way ANOVA and Newman-Keuls post hoc test. The laser-etched samples showed higher bond strength. Among the three surface treatments, laser etching showed the highest bond strength between titanium alloy implant abutment and provisional restorations. The sand-blasted surfaces demonstrated a significant difference in bond strength compared to laser-etched surfaces. The results of this study confirmed that a combination of surface treatments and bond agents enhances the

  9. Diffusion bonding

    International Nuclear Information System (INIS)

    Anderson, R.C.

    1976-01-01

    A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions

  10. Crystallographic studies evidencing the high energy tolerance to disrupting the interface disulfide bond of thioredoxin 1 from white leg shrimp Litopenaeus vannamei.

    Science.gov (United States)

    Campos-Acevedo, Adam A; Rudiño-Piñera, Enrique

    2014-12-15

    Thioredoxin (Trx) is a small 12-kDa redox protein that catalyzes the reduction of disulfide bonds in proteins from different biological systems. A recent study of the crystal structure of white leg shrimp thioredoxin 1 from Litopenaeus vannamei (LvTrx) revealed a dimeric form of the protein mediated by a covalent link through a disulfide bond between Cys73 from each monomer. In the present study, X-ray-induced damage in the catalytic and the interface disulfide bond of LvTrx was studied at atomic resolution at different transmission energies of 8% and 27%, 12.8 keV at 100 K in the beamline I-24 at Diamond Light Source. We found that at an absorbed dose of 32 MGy, the X-ray induces the cleavage of the disulfide bond of each catalytic site; however, the interface disulfide bond was cleaved at an X-ray adsorbed dose of 85 MGy; despite being the most solvent-exposed disulfide bond in LvTrx (~50 Å2). This result clearly established that the interface disulfide bond is very stable and, therefore, less susceptible to being reduced by X-rays. In fact, these studies open the possibility of the existence in solution of a dimeric LvTrx.

  11. Crystallographic Studies Evidencing the High Energy Tolerance to Disrupting the Interface Disulfide Bond of Thioredoxin 1 from White Leg Shrimp Litopenaeus vannamei

    Directory of Open Access Journals (Sweden)

    Adam A. Campos-Acevedo

    2014-12-01

    Full Text Available Thioredoxin (Trx is a small 12-kDa redox protein that catalyzes the reduction of disulfide bonds in proteins from different biological systems. A recent study of the crystal structure of white leg shrimp thioredoxin 1 from Litopenaeus vannamei (LvTrx revealed a dimeric form of the protein mediated by a covalent link through a disulfide bond between Cys73 from each monomer. In the present study, X-ray-induced damage in the catalytic and the interface disulfide bond of LvTrx was studied at atomic resolution at different transmission energies of 8% and 27%, 12.8 keV at 100 K in the beamline I-24 at Diamond Light Source. We found that at an absorbed dose of 32 MGy, the X-ray induces the cleavage of the disulfide bond of each catalytic site; however, the interface disulfide bond was cleaved at an X-ray adsorbed dose of 85 MGy; despite being the most solvent-exposed disulfide bond in LvTrx (~50 Å2. This result clearly established that the interface disulfide bond is very stable and, therefore, less susceptible to being reduced by X-rays. In fact, these studies open the possibility of the existence in solution of a dimeric LvTrx.

  12. Taxonomic composition and trophic structure of the continental bony fish assemblage from the early late cretaceous of Southeastern Morocco.

    Science.gov (United States)

    Cavin, Lionel; Boudad, Larbi; Tong, Haiyan; Läng, Emilie; Tabouelle, Jérôme; Vullo, Romain

    2015-01-01

    The mid-Cretaceous vertebrate assemblage from south-eastern Morocco is one of the most diversified continental vertebrate assemblages of this time worldwide. The bony fish component (coelacanths, lungfishes and ray-finned fishes) is represented by relatively complete specimens and, mostly, by fragmentary elements scattered along 250 kilometres of outcrops. Here we revisit the bony fish assemblage by studying both isolated remains collected during several fieldtrips and more complete material kept in public collections. The assemblage comprises several lungfish taxa, with the first mention of the occurrence of Arganodus tiguidiensis, and possibly two mawsoniid coelacanths. A large bichir cf. Bawitius, is recorded and corresponds to cranial elements initially referred to 'Stromerichthys' from coeval deposits in Egypt. The ginglymodians were diversified with a large 'Lepidotes' plus two obaichthyids and a gar. We confirm here that this gar belongs to a genus distinctive from Recent gars, contrary to what was suggested recently. Teleosteans comprise a poorly known ichthyodectiform, a notopterid, a probable osteoglossomorph and a large tselfatiiform, whose cranial anatomy is detailed. The body size and trophic level for each taxon are estimated on the basis of comparison with extant closely related taxa. We plotted the average body size versus average trophic level for the Kem Kem assemblage, together with extant marine and freshwater assemblages. The Kem Kem assemblage is characterized by taxa of proportionally large body size, and by a higher average trophic level than the trophic level of the extant compared freshwater ecosystems, but lower than for the extant marine ecosystems. These results should be regarded with caution because they rest on a reconstructed assemblage known mostly by fragmentary remains. They reinforce, however, the ecological oddities already noticed for this mid-Cretaceous vertebrate ecosystem in North Africa.

  13. Study on the bonding strength between calcium phosphate/chitosan composite coatings and a Mg alloy substrate

    Science.gov (United States)

    Zhang, Jie; Dai, Chang-Song; Wei, Jie; Wen, Zhao-Hui

    2012-11-01

    In order to improve the bonding strength between calcium phosphate/chitosan composite coatings and a micro-arc oxidized (MAO)-AZ91D Mg alloy, different influencing parameters were investigated in the process of electrophoretic deposition (EPD) followed by conversion in a phosphate buffer solution (PBS). Surface morphology and phase constituents of the as-prepared materials were investigated by using X-ray diffractometer (XRD), Fourier-transformed infrared spectrophotometer (FTIR), Raman spectrometer, scanning electron microscope (SEM) with an energy dispersive spectrometer (EDS), and a thermo gravimetric and differential thermal analyzer (TG-DTA). Scratch tests were carried out to study the bonding properties between the coatings and the substrates. In vitro immersion tests were conducted to determine the corrosion behaviors of samples with and without deposit layers through electrochemical experiments. In the EPD process, the acetic acid content in the electrophoresis suspension and the electrophoretic voltage played important roles in improving the bonding properties, while the contents of chitosan (CS) and nano-hydroxyapatite (nHA, Ca10(PO4)6(OH)2) in the suspension had less significant influences on the mechanical bonding strength. It was observed that the coatings showed the excellent bonding property when an electrophoretic voltage was in a range of 40-110 V with other reagent amounts as follows: acetic acid: 4.5 vol.%, CS ≤ 0.25 g, nHA ≤ 2.0 g in 200 ml of a CS-acetic acid aqueous solution and nHA ≤ 2.5 g in 300 ml of absolute ethanol. The morphology of the composite coating obtained under the above optimal condition had a flake-like crystal structure. The EPD in the nHA/CS-acetic acid/ethanol suspension resulted in hydroxyapatite, chitosan, brushite (DCPD, CaHPO4·2H2O) and Ca(OH)2 in the coatings. After the as-prepared coating materials were immersed into PBS, Ca(OH)2 could be converted into HA and DCPD. The results of the electrochemical tests

  14. Microleakage of bonded amalgam restorations using different adhesive agents with dye under vacuum: An in vitro study

    Directory of Open Access Journals (Sweden)

    Abhishek Parolia

    2011-01-01

    Clinical Significance: Bonded amalgam restorations prevent over-preparation and reduce the tooth flexure. GIC type I under amalgam provides chemical bonding in between amalgam and tooth structure and thus reduces the microleakage.

  15. Synthesis, spectroscopic characterization and structural studies of a new proton transfer (H-bonded) complex of o-phenylenediamine with L-tartaric acid

    Science.gov (United States)

    Khan, Ishaat M.; Ahmad, Afaq

    2013-10-01

    A proton transfer or H-bonded (CT) complex of o-phenylenediamine (OPD) as donor with L-tartaric acid (TART) as acceptor was synthesized and characterized by spectral techniques such as FTIR, 1H NMR, elemental analysis, TGA-TDA, X-ray crystallography and spectrophotometric studies. The structural investigations exhibit that the cation [OPD+] and anion [TART-] are linked together through strong N+-H⋯O- type hydrogen bonds due to transfer of proton from acceptor to donor. Formed H-bonded complex exhibits well resolved proton transfer bands in the regions where neither donor nor acceptor has any absorption. The stoichiometry of the H-bonded complex (HBC) was found to be 1:1, determined by straight line methods. Spectrophotometric studies have been performed at room temperature and Benesi-Hildebrand equation was used to determine formation constant (KCT), molar extinction coefficient (ɛCT) and also transition energy (ECT) of the H-bonded complex. Spectrophotomeric and crystallographic studies have ascertained the formation of 1:1 H-bonded complex. Thermal analysis (TGA-DTA) was also used to confirm the thermal fragmentation and the stability of the synthesized H-bonded complex.

  16. Comparative evaluation of shear bond strength of two self-etching adhesives (sixth and seventh generation on dentin of primary and permanent teeth: An in vitro study

    Directory of Open Access Journals (Sweden)

    Yaseen S

    2009-03-01

    Full Text Available Aim: The present study was undertaken to compare and evaluate shear bond strength of two self-etching adhesives (sixth and seventh generation on dentin of primary and permanent teeth. Materials and Methods: Flat dentin surface of 64 human anterior teeth (32 primary and 32 permanent divided into four groups of 16 each. Groups A and C were treated with Contax (sixth generation, while groups B and D were treated with Clearfil S3 (seventh generation. A teflon mold was used to build the composite (Filtek Z-350 cylinders on the dentinal surface of all the specimens. Shear bond strength was tested for all the specimens with an Instron Universal Testing Machine. Data were statistically analyzed using one-way ANOVA for multiple group comparison, followed by student′s unpaired ′t′ test for group-wise comparison. Results: There was no statistically significant difference in shear bond strength among the study groups except that primary teeth bonded with Contax exhibited significantly lesser shear bond strength than permanent teeth bonded with Clearfil S3. Conclusion: This study revealed that Clearfil S3 could be of greater advantage in pediatric dentistry than Contax because of its fewer steps and better shear bond strength in dentin of both primary and permanent teeth.

  17. Optimising hydrogen bonding in solid wood

    DEFF Research Database (Denmark)

    Engelund, Emil Tang

    2009-01-01

    The chemical bonds of wood are both covalent bonds within the wood polymers and hydrogen bonds within and between the polymers. Both types of bonds are responsible for the coherence, strength and stiffness of the material. The hydrogen bonds are more easily modified by changes in load, moisture...... and temperature distorting the internal bonding state. A problem arises when studying hydrogen bonding in wood since matched wood specimens of the same species will have very different internal bonding states. Thus, possible changes in the bonding state due to some applied treatment such as conditioning...... maintaining 100 % moisture content of the wood. The hypothesis was that this would enable a fast stress relaxation as a result of reorganization of bonds, since moisture plasticizes the material and temperature promotes faster kinetics. Hereby, all past bond distortions caused by various moisture, temperature...

  18. Fluorescence Correlation Spectroscopy to Study Diffusion of Polymer Chains within Layered Hydrogen-Bonded Polymer Films

    Science.gov (United States)

    Pristinski, Denis; Kharlampieva, Evguenia; Sukhishvili, Svetlana

    2002-03-01

    Fluorescence Correlation Spectroscopy (FCS) has been used to probe molecular motions within polymer multilayers formed by hydrogen-bonding sequential self-assembly. Polyethylene glycol (PEG) molecules were end-labeled with the fluorescent tags, and self-assembled with polymethacrylic acid (PMAA) using layer-by-layer deposition. We have found that molecules included in the top adsorbed layer have significant mobility at the millisecond time scale, probably due to translational diffusion. However, their dynamics deviate from classical Brownian motion with a single diffusion time. Possible reasons for the deviation are discussed. We found that motions were significantly slowed with increasing depth within the PEG/PMAA multilayer. This phenomena occured in a narrow pH range around 4.0 in which intermolecular interactions were relatively weak.

  19. Special Advanced Studies for Pollution Prevention. Delivery Order 0017: Sol-Gel Surface Preparation for Carbon Steel and Stainless Steel Bonding

    National Research Council Canada - National Science Library

    Zheng, Haixing

    1997-01-01

    The objective of this program is to study the feasibility of using sol-gel active alumina coatings for the surface preparation of carbon steel and stainless steel for adhesive bonding, and to optimize...

  20. The Effect of Two Soft Drinks on Bracket Bond Strength and on Intact and Sealed Enamel: An In Vitro Study.

    Science.gov (United States)

    Pasha, Azam; Sindhu, D; Nayak, Rabindra S; Mamatha, J; Chaitra, K R; Vishwakarma, Swati

    2015-01-01

    This study was conducted to evaluate the effect of two soft drinks, Coca-Cola and Mirinda orange on bracket bond strength, on adhesive remnant on teeth after debonding the bracket, and to observe by means of scanning electron microscope (SEM) the effect of these drinks on intact and sealed enamel. 120 non-carious maxillary premolar teeth already extracted for Orthodontic purposes were taken and divided into three groups, i.e., Coca-Cola drink, Mirinda orange, and control (artificial saliva) group. Brackets were bonded using conventional methods. Teeth were kept in soft drinks for 15 days, for 15 min, 3 times a day, separated by intervals of 2 h. At other times, they were kept in artificial saliva. The samples, thus obtained were evaluated for shear bond strength using the universal testing machine and subsequently subjected for adhesive remnant index (ARI) scores. SEM study on all the three groups was done for evaluating enamel surface of the intact and sealed enamel. The lowest mean resistance to shearing forces was shown by Mirinda orange group (5.30 ± 2.74 Mpa) followed by Coca-Cola group (6.24 ± 1.59 Mpa) and highest resistance to shearing forces by control group (7.33 ± 1.72 Mpa). The ARI scores revealed a cohesive failure in control samples and an adhesive failure in Mirinda and cola samples. SEM results showed areas of defect due to erosion caused by acidic soft drinks on intact and sealed enamel surface. Mirinda group showed the lowest resistance to shearing forces, followed by Coca-Cola group and with the highest resistance to shearing forces by the control group. There were significant differences between the control group and the study groups. Areas of defects, which were caused by erosion related to acidic soft drinks on the enamel surface around the adhesive, were seen. Areas of defects caused by Coca-Cola were more extensive when compared to Mirinda orange drink.

  1. Classifying and Standardizing Panfacial Trauma With a New Bony Facial Trauma Score.

    Science.gov (United States)

    Casale, Garrett G A; Fishero, Brian A; Park, Stephen S; Sochor, Mark; Heltzel, Sara B; Christophel, J Jared

    2017-01-01

    The practice of facial trauma surgery would benefit from a useful quantitative scale that measures the extent of injury. To develop a facial trauma scale that incorporates only reducible fractures and is able to be reliably communicated to health care professionals. A cadaveric tissue study was conducted from October 1 to 3, 2014. Ten cadaveric heads were subjected to various degrees of facial trauma by dropping a fixed mass onto each head. The heads were then imaged with fine-cut computed tomography. A Bony Facial Trauma Scale (BFTS) for grading facial trauma was developed based only on clinically relevant (reducible) fractures. The traumatized cadaveric heads were then scored using this scale as well as 3 existing scoring systems. Regression analysis was used to determine correlation between degree of incursion of the fixed mass on the cadaveric heads and trauma severity as rated by the scoring systems. Statistical analysis was performed to determine correlation of the scores obtained using the BFTS with those of the 3 existing scoring systems. Scores obtained using the BFTS were not correlated with dentition (95% CI, -0.087 to 1.053; P = .08; measured as absolute number of teeth) or age of the cadaveric donor (95% CI, -0.068 to 0.944; P = .08). Facial trauma scores. Among all 10 cadaveric specimens (9 male donors and 1 female donor; age range, 41-87 years; mean age, 57.2 years), the facial trauma scores obtained using the BFTS correlated with depth of penetration of the mass into the face (odds ratio, 4.071; 95% CI, 1.676-6.448) P = .007) when controlling for presence of dentition and age. The BFTS scores also correlated with scores obtained using 3 existing facial trauma models (Facial Fracture Severity Scale, rs = 0.920; Craniofacial Disruption Score, rs = 0.945; and ZS Score, rs = 0.902; P trauma scales. Scores obtained using the BFTS were not correlated with dentition (odds ratio, .482; 95% CI, -0.087 to 1.053; P = .08; measured

  2. Comparative evaluation of self-etching primers and phosphoric acid effectiveness on composite to enamel bond: an in vitro study.

    Science.gov (United States)

    Patil, Basanagouda S; Rao, Bk Raghavendra; Sharathchandra, Sm; Hegde, Reshma; Kumar, G Vinay

    2013-09-01

    The aim of the present study was to investigate the effectiveness of the one total-etch self-priming adhesive, one two-step self-etching primer adhesive, and one 'all-in-one' self-etching adhesive system on the adhesion of a resin composite to enamel. Thirty-six freshly extracted human mandibular molars were selected for this study. A fat area about 5 mm in diameter was created on the exposed mesial surface of enamel of each tooth by moist grinding with 320, 420 and 600 grit silicon carbide paper. Twelve teeth were randomly assigned into three groups. In group 1, Adper Easy One (3M ESPE), a one step self-etching primer adhesive was applied and light curing unit for 10 seconds. In group 2, Adper SE Plus, a two-step self-etching primer with bottle A containing the aqueous primer and bottle B containing the acidic adhesive was applied and light cured for 10 seconds. Group 3 (control)-etchant 37% phosphoric acid is applied to the surface for 15 seconds and rinsed with water and air dried and adhesive (single bond 2) is applied to the surface and tube is placed and light cured for 20 seconds. Composite material (Z350) was placed in the tube and light cured for 40 seconds in all the groups. Bond strength testing was done using universal testing machine at the enamel-composite interface. The debonded enamel surface was evaluated in stereomicroscope to assess the cohesive, adhesive or mixed fracture. Data was statistically analyzed by one way analysis of variance (ANOVA). Group 1 performed least among all groups with a mean score of 19.46 MPa. Group 2 had a mean score of 25.67 MPa. Group 3 had a mean score of 27.16 MPa. Under the conditions of this in vitro study, the bond strength values of the two-step self-etching primer systems tested were similar to the total-etch. And, one step self-etching primers have lower bond strength compared to the total-etch.

  3. [Bony injuries of the thoracic cage in multiple trauma : Incidence, concomitant injuries, course and outcome].

    Science.gov (United States)

    Schulz-Drost, S; Oppel, P; Grupp, S; Krinner, S; Langenbach, A; Lefering, R; Mauerer, A

    2016-12-01

    Thoracic trauma is considered to be responsible for 25 % of fatalities in multiple trauma and is a frequent injury with an incidence of 50 %. In addition to organ injuries, severe injuries to the bony parts of the thorax also occur and these injuries are described very differently mostly based on single center data. The focus of this study was on a holistic presentation of the prevalence and the incidence of thoracic trauma in patients with multiple trauma from the data of the large collective of the TraumaRegister DGU® (TR-DGU) with the objective of an analysis of concomitant injuries, therapy options and outcome parameters. A retrospective analysis was carried out based on the data set of the TR-DGU from the years 2009-2013. Inclusion criteria were an injury severity scale (ISS) score ≥ 16 and primary admission to a trauma center but isolated craniocerebral injury was an exclusion criterium. Patients were separated into two groups: those with rib fractures (RF) and those with flail chest (FC). A total of 21,741 patients met the inclusion criteria including 10,474 (48.2 %) suffering from either RF or FC. The mean age was 49.8 ± 19.9 years in the RF group and 54.1 ± 18.2 years in the FC group. Approximately 25 % were female in both groups, 98.1 % were blunt force injuries and the median ISS was 28.0 ± 11.2 in RF and 35.1 ± 14.2 in FC. Shock, insertion of a chest tube, (multi) organ failure and fatality rates were significantly higher in the FC group as were concomitant thoracic injuries, such as pneumothorax and hemothorax. Sternal fractures without rib fractures were less common (3.8 %) than concomitant in the RF (10.1 %) and FC (14 %) groups, as were concomitant fractures of the clavicle and the scapula. Out of all patients 32.6 % showed fractures of the thoracolumbar spine, 26.5 % without rib fractures, 36.6-38.6 % with rib fractures or monolateral FC and 48.6 % concomitant to bilateral FC. Thoracotomy was carried

  4. Estudo in vitro da resistência ao cisalhamento da colagem direta de tubos ortodônticos em molares In vitro study of shear bond strength in direct bonding of orthodontic molar tubes

    Directory of Open Access Journals (Sweden)

    Célia Regina Maio Pinzan Vercelino

    2011-06-01

    Full Text Available INTRODUÇÃO: apesar da colagem direta despender menor tempo clínico, com maior preservação da integridade gengival, ainda hoje se observa uma alta incidência de bandagem dos molares. Portanto, torna-se interessante a idealização de recursos para o aumento da eficiência desse procedimento para dentes submetidos a maiores impactos mastigatórios, como, por exemplo, os molares. OBJETIVO: esse estudo teve o propósito de avaliar se a resistência à adesão com a aplicação de uma camada de resina adicional na região oclusal da interface tubo/dente aumenta a qualidade do procedimento de colagem direta de tubos em molares. MÉTODOS: selecionou-se uma amostra composta por 40 terceiros molares inferiores, que foram aleatoriamente divididos em 2 grupos: Grupo 1 - colagem direta convencional, seguida pela aplicação de uma camada de resina na oclusal da interface tubo/dente; e Grupo 2 - colagem direta convencional. O teste de resistência ao cisalhamento foi realizado 24 horas após a colagem, utilizando-se uma máquina de ensaio universal, operando a uma velocidade de 0,5mm/min. Os resultados foram analisados por meio do teste t independente. RESULTADOS: os valores médios obtidos nos testes de cisalhamento foram: 17,08MPa para o Grupo 1 e 12,60MPa para o Grupo 2. O Grupo 1 apresentou uma resistência ao cisalhamento estatisticamente significativa mais alta do que o Grupo 2. CONCLUSÃO: a aplicação de uma camada adicional de resina na oclusal da interface tubo/dente aumenta a qualidade da adesão do procedimento de colagem direta de tubos ortodônticos em molares.OBJECTIVE: Although direct bonding takes up less clinical time and ensures increased preservation of gingival health, the banding of molar teeth is still widespread nowadays. It would therefore be convenient to devise methods capable of increasing the efficiency of this procedure, notably for teeth subjected to substantial masticatory impact, such as molars. This study was

  5. X-ray study of chemical bonding in actinides(IV) and lanthanides(III) hexa-cyanoferrates

    International Nuclear Information System (INIS)

    Dumas, T.

    2011-01-01

    Bimetallic cyanide molecular solids derived from Prussian blue are well known to foster long-range magnetic ordering and show an intense inter-valence charge transfer band resulting from an exchange interaction through the cyanide-bridge. For those reasons the ferrocyanide and ferricyanide building blocks have been chosen to study electronic delocalization and covalent character in actinide bonding using an experimental and theoretical approach based on X-ray absorption spectroscopy. In 2001, the actinide (IV) and early lanthanides (III) hexacyanoferrate have been found by powder X-ray diffraction to be isostructural (hexagonal, P6 3 /m group). Here, extended X-ray Absorption Fine Structure (EXAFS) at the iron K-edge and actinide L 3 -edge have been undertaken to probe the local environment of both actinides and iron cations. In an effort to describe the cyano bridge, a double edge fitting procedure including both iron and actinide edges and based on multiple scattering approach has been developed. We have also investigated the electronic properties of these molecular solids. Low energy electronic transitions have been used iron L 2,3 edge, nitrogen and carbon K-edge and also actinides N 4,5 edge to directly probe the valence molecular orbitals of the complex. Using a phenomenological approach, a clear distinctive behaviour between actinides and lanthanides has been shown. Then a theoretical approach using quantum chemistry calculation has shown more specifically the effect of covalency in the actinide-ferrocyanide bond. More specifically, π interactions were underlined by both theoretical and experimental methods. Finally, in agreement with the ionic character of the lanthanide bonding no inter-valence charge transfer has been observed in the corresponding optical spectra of these compounds. On the contrary, optical spectra for actinides adducts (except for thorium) show an intense inter-valence charge transfer band like in the transition metal cases which is

  6. Interfacial study of NiTi–Ti{sub 3}SiC{sub 2} solid state diffusion bonded joints

    Energy Technology Data Exchange (ETDEWEB)

    Kothalkar, A. [Department of Materials Science and Engineering, Texas A and M University, College Station, TX 77843 (United States); Cerit, A. [Department of Industrial Design Engineering, Erciyes University, Kayseri (Turkey); Proust, G. [School of Civil Engineering, University of Sydney, Sydney, NSW 2006 (Australia); Basu, S. [Agilent Technologies, Chandler, AZ (United States); Radovic, M., E-mail: mradovic@tamu.edu [Department of Materials Science and Engineering, Texas A and M University, College Station, TX 77843 (United States); Karaman, I., E-mail: ikaraman@tamu.edu [Department of Materials Science and Engineering, Texas A and M University, College Station, TX 77843 (United States)

    2015-01-12

    The interfaces between the stress-assisted diffusion bonded Ti{sub 3}SiC{sub 2} and equiatomic NiTi, two distinct material systems that show pseudoelasticity were studied. The interfaces were formed in the 800–1000 °C temperature range, for 1, 5 and 10 h under flowing argon. Bonding was observed in all the cases considered, except at 800 °C after 1 h. Morphology and reaction phases in the interface were characterized using scanning electron microscopy, elemental micro probe analysis and electron backscatter diffraction analysis. The interfacial structure formed between NiTi and Ti{sub 3}SiC{sub 2} layers consists of NiTi/Ti{sub 2}Ni/Ti{sub 5}Si{sub 3}/NiTiSi/Ti{sub 3}SiC{sub 2}. Diffusion of Si into NiTi from Ti{sub 3}SiC{sub 2}, and Ni from NiTi into reaction zone was found to be responsible for the formation of reaction layers in the interface and thus for bonding at these conditions. The overall reaction layer thickness grows following the parabolic kinetic law. Nano-indentation and Vickers micro hardness tests were carried out to investigate the mechanical properties of the interface. Nano-indentation showed that the elastic moduli of the phases in the interface are close to that of Ti{sub 3}SiC{sub 2} while their hardness is higher than that of both Ti{sub 3}SiC{sub 2} and NiTi. Artificially formed cracks through microindents were observed to be branched and propagated into Ti{sub 3}SiC{sub 2} phase indicating good resistance against delamination.

  7. In vitro comparative study of share bond of light cured composite resins with halogen light and argon laser, using stainless steel brackets on human premolars

    International Nuclear Information System (INIS)

    Carillo, Vitoria Eugenia Bismarck

    2004-01-01

    The aim of this study in vitro was to compare the share bond strength of the light-cured composite resins Transbond XT (Unitek), with halogen light and argon laser. The Adhesive Remmant Index (ARI) was also investigated. The brackets Dyna lock (3M-UNITEK) were bonded to 75 human premolars, divided into 5 groups (15 each) according to time and the polymerization: Group H20, 15 brackets bonded with halogen light for 20s (10s both sides); Group H40, 15 brackets bonded with halogen light for 40s (20s both sides); Group A40, 15 brackets bonded with argon laser for 40s (20s both sides); Group A20, 15 brackets bonded with argon laser for 20s (10s both sides); Group A10, 15 brackets bonded with argon laser for 10s (5s both sides). The pulpal temperature changes were determined during a polymerization, not exceeding 3,5 deg C. After bonding, the teeth were submitted to a thermo cycled of 700 cycles between 5 deg C and 55 deg C, to simulate the consuming that the light cured composite resin would have in a short space of time. The specimens were then placed in PVC ring and embedded in acrylic resin (Aero-Jet). The tensile bond strength test was performed on an Universal Machine set at a crosshead speed of 1,5 mm/min, and for each rupture we registered a graphic and the best load required in Newtons, was converted to MPa and kgf. The share bond strength showed bigger values for the exposure time of 20 seconds, for the Group bonded for halogen light (H20), 7,45 kgf (7,64 MPa) and for argon laser 7,50 kgf (7,69 MPa); lesser values for the exposure time of 40s for the Group with halogen light (H40), 6,15 kgf (6,30 MPa) and argon laser Group (A40), 6,20 kgf (6,35 MPa) 0; and A10, 4,85 kgf (4,97 MPa). In the ARI Index, only A40 Group showed the 1 Index, with statistical results. In this Group, less than half of the remainder adhesive stayed on the surface of the enamel, conferring specimens failed at the enamel-adhesive interface. The results of the in vitro study demonstrate that

  8. Spectroscopic study of uracil, 1-methyluracil and 1-methyl-4-thiouracil: Hydrogen bond interactions in crystals and ab-initio molecular dynamics

    Science.gov (United States)

    Brela, Mateusz Z.; Boczar, Marek; Malec, Leszek M.; Wójcik, Marek J.; Nakajima, Takahito

    2018-05-01

    Hydrogen bond networks in uracil, 1-methyluracil and 1-methyl-4-thiouracil were studied by ab initio molecular dynamics as well as analysis of the orbital interactions. The power spectra calculated by ab initio molecular dynamics for atoms involved in hydrogen bonds were analyzed. We calculated spectra by using anharmonic approximation based on the autocorrelation function of the atom positions obtained from the Born-Oppenheimer simulations. Our results show the differences between hydrogen bond networks in uracil and its methylated derivatives. The studied methylated derivatives, 1-methyluracil as well as 1-methyl-4-thiouracil, form dimeric structures in the crystal phase, while uracil does not form that kind of structures. The presence of sulfur atom instead oxygen atom reflects weakness of the hydrogen bonds that build dimers.

  9. Bond length and electric current oscillation of long linear carbon chains: Density functional theory, MpB model, and quantum spin transport studies

    International Nuclear Information System (INIS)

    Oeiras, R. Y.; Silva, E. Z. da

    2014-01-01

    Carbon linear atomic chains attached to graphene have experimentally been produced. Motivated by these results, we study the nature of the carbon bonds in these nanowires and how it affects their electrical properties. In the present study we investigate chains with different numbers of atoms and we observe that nanowires with odd number of atoms present a distinct behavior than the ones with even numbers. Using graphene nanoribbons as leads, we identify differences in the quantum transport of the chains with the consequence that even and odd numbered chains have low and high electrical conduction, respectively. We also noted a dependence of current with the wire size. We study this unexpected behavior using a combination of first principles calculations and simple models based on chemical bond theory. From our studies, the electrons of carbon nanowires present a quasi-free electron behavior and this explains qualitatively the high electrical conduction and the bond lengths with unexpected values for the case of odd nanowires. Our study also allows the understanding of the electric conduction dependence with the number of atoms and their parity in the chain. In the case of odd number chains a proposed π-bond (MpB) model describes unsaturated carbons that introduce a mobile π-bond that changes dramatically the structure and transport properties of these wires. Our results indicate that the nature of bonds plays the main role in the oscillation of quantum electrical conduction for chains with even and odd number of atoms and also that nanowires bonded to graphene nanoribbons behave as a quasi-free electron system, suggesting that this behavior is general and it could also remain if the chains are bonded to other materials

  10. Experimental Studies on Improved Plastic Bonded Explosives Materials (PBXs for Controlled Fragmentation Warheads

    Directory of Open Access Journals (Sweden)

    Elsharkawy Karim

    2017-01-01

    Full Text Available This paper describes formulations of plastic bonded explosives (PBXs based on three highly brisant explosives, namely 1,3,5-trinitro-1,3,5-triazinane (RDX, 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX and pentaerythritoltetranitrate (PETN with polyurethane (PU based on Glycidyl azide polymer (GAP as an energetic binder in comparison with composition-B, which used in the fragmentation warheads. The sensitivity and performance properties of different types of PBXs were evaluated by experimental results of prepared selected PBX compositions. Casting technique was used to prepare the selected compositions containing 14% PU based on GAP. It has been observed that the brisance of the PBX based on HMX was higher than that of comp-B by 21.3 %, the detonation velocity showed a remarkable increase of the order of 8480 (m/s while that of comp-B was 7638 (m/s. A controlled fragmentation warhead with an outer grooving warhead case of dimensions 100x35x4 mm was used and arena test was carried out to determine the lethal zone of the fragmentation warhead. The lethal zone obtained from arena test for PBX composition based on HMX named PBXHG4 was higher than that based on RDX or PETN, and than that of comp-B by 40%.

  11. Weak hydrogen bond topology in 1,1-difluoroethane dimer: A rotational study

    Science.gov (United States)

    Chen, Junhua; Zheng, Yang; Wang, Juan; Feng, Gang; Xia, Zhining; Gou, Qian

    2017-09-01

    The rotational spectrum of the 1,1-difluoroethane dimer has been investigated by pulsed-jet Fourier transform microwave spectroscopy. Two most stable isomers have been detected, which are both stabilized by a network of three C—H⋯F—C weak hydrogen bonds: in the most stable isomer, two difluoromethyl C—H groups and one methyl C—H group act as the weak proton donors whilst in the second isomer, two methyl C—H groups and one difluoromethyl C—H group act as the weak proton donors. For the global minimum, the measurements have also been extended to its four 13C isotopologues in natural abundance, allowing a precise, although partial, structural determination. Relative intensity measurements on a set of μa-type transitions allowed estimating the relative population ratio of the two isomers as NI/NII ˜ 6/1 in the pulsed jet, indicating a much larger energy gap between these two isomers than that expected from ab initio calculation, consistent with the result from pseudo-diatomic dissociation energies estimation.

  12. Fatigue aging of adhesive bonds

    International Nuclear Information System (INIS)

    DeLollis, N.J.

    1979-01-01

    A year long study has been made of the effect of fatigue on the bond between two epoxy encapsulant formulations and a fused alumina disc. The variables studied included isothermal aging at temperatures up to and including the cure temperature and cyclic thermal aging from +74 to -54 0 C. The encapsulants were glass microballoon filled epoxies differing only in curing agents. One was cured with an aromatic amine eutectic (Shell Curing Agent Z). The other was cured with diethanolamine. The Z cured encapsulant bond failed completely at the bond interface with little or no aging; infrared evidence indicated a soluble interlayer as a possible cause of failure. The diethanolamine cured encapsulant survived a year of isothermal aging with little or no evidence of bond degradation. Cyclic thermal aging resulted in gradual bond failure with time. An extrapolation of the cyclic aging data indicates that the stresses induced by thermal cycling would result in complete bond failure in about 1200 days

  13. Reductive Elimination Leading to C-C Bond Formation in Gold(III) Complexes: A Mechanistic and Computational Study.

    Science.gov (United States)

    Rocchigiani, Luca; Fernandez-Cestau, Julio; Budzelaar, Peter H M; Bochmann, Manfred

    2018-06-21

    The factors affecting the rates of reductive C-C cross-coupling reactions in gold(III) aryls were studied by using complexes that allow easy access to a series of electronically modified aryl ligands, as well as to gold methyl and vinyl complexes, by using the pincer compounds [(C^N^C)AuR] (R=C 6 F 5 , CH=CMe 2 , Me and p-C 6 H 4 X, where X=OMe, F, H, tBu, Cl, CF 3 , or NO 2 ) as starting materials (C^N^C=2,6-(4'-tBuC 6 H 3 ) 2 pyridine dianion). Protodeauration followed by addition of one equivalent SMe 2 leads to the quantitative generation of the thioether complexes [(C^N-CH)AuR(SMe 2 )] + . Upon addition of a second SMe 2 pyridine is displaced, which triggers the reductive aryl-R elimination. The rates for these cross-couplings increase in the sequence k(vinyl)>k(aryl)≫k(C 6 F 5 )>k(Me). Vinyl-aryl coupling is particularly fast, 1.15×10 -3  L mol -1  s -1 at 221 K, whereas both C 6 F 5 and Me couplings encountered higher barriers for the C-C bond forming step. The use of P(p-tol) 3 in place of SMe 2 greatly accelerates the C-C couplings. Computational modelling shows that in the C^N-bonded compounds displacement of N by a donor L is required before the aryl ligands can adopt a conformation suitable for C-C bond formation, so that elimination takes place from a four-coordinate intermediate. The C-C bond formation is the rate-limiting step. In the non-chelating case, reductive C(sp 2 )-C(sp 2 ) elimination from three-coordinate ions [(Ar 1 )(Ar 2 )AuL] + is almost barrier-free, particularly if L=phosphine. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. In vitro Assessment of Influence of Various Bleaching Protocols on the Strength of Ceramic Orthodontic Brackets bonded to Bleached Tooth Surface: A Comparative Study.

    Science.gov (United States)

    Iska, Divya; Devanna, Raghu; Singh, Madhvi; Chitumalla, Rajkiran; Balasubramanian, Sai C Bala; Goutam, Manish

    2017-12-01

    Esthetics is one of the common issues because of which patients consult dental orthodontic treatment. Two ways of tooth bleaching are available these days, which includes in-office bleach and home bleach. Various bleaching protocols are available these days for treating the tooth surfaces. Hence, we planned the present study for investigating the impact of various intracoronal bleaching protocols on shear bond strength of ceramic brackets bonded to tooth surface after bleaching. The present study included assessment of 100 extracted maxillary central incisors with the integrated buccal surface. A resin block was made and individual teeth were embedded in each block. Root canal therapy procedure was performed in all the teeth, after which 2 mm short of tooth apex up to the level of cementoenamel junction, removal of the root canal filling was done. All the samples were broadly divided into four study groups with 25 samples in each group. Bleaching procedure was carried in all the samples intracoronally followed by testing of shear bond strength using universal force testing machine. Following the modified adhesive remnant index (AI), assessment of remaining adhesive on the brackets was done. All the results were compiled and analyzed by Statistical Package for the Social Sciences (SPSS) software version 17.0. In the control group, mean shear bond strength was found to be 17.9 MPa. While comparing the carbamide peroxide (CP) group with sodium perborate study group, we observed a statistically significant difference. Nonsignificant results were obtained while comparing the shear bond strength in between sodium perborate group and hydrogen peroxide (HP) group. Intracoronal bleaching does affect the shear bond strength of ceramic brackets. Sodium perborate bleaching influences shear bond strength more strongly than other bleaching agents such as CP and HP. In patients undergoing orthodontic treatment, HP is a preferred agent where bleaching has to be followed by

  15. Pricing catastrophic bonds for earthquakes in Mexico

    OpenAIRE

    Cabrera, Brenda López

    2006-01-01

    After the occurrence of a natural disaster, the reconstruction can be financed with catastrophic bonds (CAT bonds) or reinsurance. For insurers, reinsurers and other corporations CAT bonds provide multi year protection without the credit risk present in reinsurance. For investors CAT bonds offer attractive returns and reduction of portfolio risk, since CAT bonds defaults are uncorrelated with defaults of other securities. As the study of natural catastrophe models plays an important role in t...

  16. Bony vibration stimulation test combined with magnetic resonance imaging. Can discography be replaced?

    Science.gov (United States)

    Yrjämä, M; Tervonen, O; Kurunlahti, M; Vanharanta, H

    1997-04-01

    The results of two noninvasive methods, magnetic resonance imaging and a bony vibration test, were compared with discographic pain provocation findings. To evaluate whether the combination of magnetic resonance imaging and vibration pain provocation tests could be used to replace discography in low back pain diagnostics. Magnetic resonance imaging gives a wealth of visual information on anatomic changes of the spine with often unknown clinical significance. Discographic examination of the spine is still the only widely accepted diagnostic method that can relate the pathoanatomic changes to the patient's clinical pain. Internal anular rupture has been shown to be one of the sources of back pain. The bony vibration test of the spinal processes has been shown correlate well with discographic pain provocation tests in cases of internal anular rupture. The three lowest lumbar discs of 33 patients with back pain were examined by means of magnetic resonance imaging and a bony vibration stimulation test, and the results were compared with those from computed tomography-discography. In cases of intradiscal magnetic resonance imaging findings, the vibration provocation test showed a sensitivity of 0.88 and a specificity of 0.50 compared with the discographic pain provocation test. If the patients with previous back surgery were excluded, the specificity was 0.75. In the cases of total anular rupture, the sensitivity was 0.50, and the specificity was 0.33. The combination of the two noninvasive methods, vibration stimulation and magnetic resonance imaging, gives more information on the origin of the back pain than magnetic resonance imaging alone. The pathoanatomic changes seen in magnetic resonance imaging can be correlated with the patient's disorder more reliably using the vibration provocation test in the cases of partial anular ruptures. The use of discography can be limited mostly to cases with total anular ruptures detected by magnetic resonance imaging.

  17. Bony fusion of the maxilla and mandible as a sequelae of noma: A rare case report

    Energy Technology Data Exchange (ETDEWEB)

    Bagewadi, Shivanand B.; Awasthi, Ujjwala Rastogi; Mody, Bharat M.; Suma, Gundareddy N.; Garg, Shruti [Dept. of Medicine and Radiology, ITS Center for Dental Studies and Research, Ghaziabad, Uttar Pradesh (Korea, Republic of)

    2015-09-15

    Noma is a gangrenous disease of the orofacial region that leads to severe facial tissue destruction and is a significant cause of death among children. With the advent of modern antibiotics and improved nutrition, children with noma may survive into adulthood, but must face the challenge of undergoing repair of the sequelae of noma. This report describes a case of bony fusion of the maxilla and mandible in a 28-year-old female patient, which was a sequelae of a childhood case of noma.

  18. A Bony Landmark 'RAI Triangle' to Prevent 'Misplaced and Misdirected' Medial Cut in SSRO.

    Science.gov (United States)

    Rai, Kirthi Kumar; Arakeri, Gururaj; Khaji, Shahanavaj I

    2011-03-01

    'Rai triangle', a new anatomic landmark on the medial surface of the ramus of the mandible which when identified and taken into consideration, may have a definite advantage. This is especially in terms of performing the medial horizontal cut which is an important and integral part of the sagittal split ramus osteotomy so as to avoid a bad split. The objective of this article is to propose an easily identifiable bony land mark, which is closely related to lingula of mandible that may ease the procedure of osteotomy and avoid bad splits.

  19. Interstellar hydrogen bonding

    Science.gov (United States)

    Etim, Emmanuel E.; Gorai, Prasanta; Das, Ankan; Chakrabarti, Sandip K.; Arunan, Elangannan

    2018-06-01

    This paper reports the first extensive study of the existence and effects of interstellar hydrogen bonding. The reactions that occur on the surface of the interstellar dust grains are the dominant processes by which interstellar molecules are formed. Water molecules constitute about 70% of the interstellar ice. These water molecules serve as the platform for hydrogen bonding. High level quantum chemical simulations for the hydrogen bond interaction between 20 interstellar molecules (known and possible) and water are carried out using different ab-intio methods. It is evident that if the formation of these species is mainly governed by the ice phase reactions, there is a direct correlation between the binding energies of these complexes and the gas phase abundances of these interstellar molecules. Interstellar hydrogen bonding may cause lower gas abundance of the complex organic molecules (COMs) at the low temperature. From these results, ketenes whose less stable isomers that are more strongly bonded to the surface of the interstellar dust grains have been observed are proposed as suitable candidates for astronomical observations.

  20. Crystallographic and infrared spectroscopic study of bond distances in Ln[Fe(CN)6].4H2O (Ln=lanthanide)

    International Nuclear Information System (INIS)

    Zhou Xianju; Wong, W.-T.; Faucher, Michele D.; Tanner, Peter A.

    2008-01-01

    Along with crystallographic data of Ln[Fe(CN) 6 ].4H 2 O (Ln=lanthanide), the infrared spectra are reassigned to examine bond length trends across the series of Ln. The changes in mean Ln-O, Ln-N, C≡N and Fe-C distances are discussed and the bond natures of Ln-N and Ln-O are studied by bond length linear or quadratic fitting and comparisons with relevant ionic radii. The two different C≡N bond distances have been simulated by the covalo-electrostatic model. - Graphical abstract: Crystallographic and FTIR data for Ln[Fe(CN) 6 ].4H 2 O enable the changes in Ln-O, Ln-N, C≡N and Fe-C distances to be determined and modeled across the lanthanide series

  1. Copper-Catalyzed Oxidative Reaction of β-Keto Sulfones with Alcohols via C-S Bond Cleavage: Reaction Development and Mechanism Study.

    Science.gov (United States)

    Du, Bingnan; Wang, Wenmin; Wang, Yang; Qi, Zhenghang; Tian, Jiaqi; Zhou, Jie; Wang, Xiaochen; Han, Jianlin; Ma, Jing; Pan, Yi

    2018-02-16

    A Cu-catalyzed cascade oxidative radical process of β-keto sulfones with alcohols has been achieved by using oxygen as an oxidant. In this reaction, β-keto sulfones were converted into sulfinate esters under the oxidative conditions via cleavage of C-S bond. Experimental and computational studies demonstrate that a new pathway is involved in this reaction, which proceeds through the formation of the key four-coordinated Cu II intermediate, O-O bond homolysis induced C-S bond cleavage and Cu-catalyzed esterification to form the final products. This reaction provides a new strategy to sulfonate esters and enriches the research content of C-S bond cleavage and transformations. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. On the importance of hydrogen bonding in the promotion of Diels-Alder reactions of unactivated aldehydes: a computational study

    Science.gov (United States)

    Chemouri, Hafida; Mekelleche, Sidi Mohamed

    2014-03-01

    The kinetic solvent effects on the Diels-Alder (DA) reaction of N,N-dimethylamino-3-trimethylsilyl butadiene with p-anisaldehyde are studied by density functional calculations at the B3LYP/6-31C(d) level of theory. Experimentally, it has been found that the acceleration of this reaction is not due to the increase of the polarity of the solvent but it is rather due to hydrogen bonding (HB). Intrinsic reaction coordinate calculations combined with electron localisation function analysis show that this reaction follows a one-step two-stage mechanism with a highly asynchronous sigma bond formation process. The calculations, performed using an explicit solvent model based on the coordination of the carbonyl group with one molecule of the solvent, show a considerable decrease of the activation energy when going from the gas phase (ɛ = 1) to solution phase and this diminution is found to be more important in isopropyl alcohol (ɛ = 18.3) in comparison with acetonitrile (ɛ = 37.5). Our calculations also show that the acceleration of this DA reaction is due to the increase of the electrophilicity power of the solvated carbonyl compound and consequently the increase of the polarity of the reaction in the presence of protic solvents. The obtained results put in evidence the relevance of HB in the promotion of DA reactions of unactivated ketones as experimentally expected.

  3. A Raman spectroscopy study on the effects of intermolecular hydrogen bonding on water molecules absorbed by borosilicate glass surface

    Science.gov (United States)

    Li, Fabing; Li, Zhanlong; Wang, Ying; Wang, Shenghan; Wang, Xiaojun; Sun, Chenglin; Men, Zhiwei

    2018-05-01

    The structural forms of water/deuterated water molecules located on the surface of borosilicate capillaries have been first investigated in this study on the basis of the Raman spectral data obtained at different temperatures and under atmospheric pressure for molecules in bulk and also for molecules absorbed by borosilicate glass surface. The strongest two fundamental bands locating at 3063 cm-1 (2438 cm-1) in the recorded Raman spectra are assigned here to the Osbnd H (Osbnd D) bond stretching vibrations and they are compared with the corresponding bands observed at 3124 cm-1 (2325 cm-1) in the Raman spectrum of ice Ih. Our spectroscopic observations have indicated that the structure of water and deuterated water molecules on borosilicate surface is similar to that of ice Ih (hexagonal phase of ice). These observations have also indicated that water molecules locate on the borosilicate surface so as to construct a bilayer structure and that strong and weak intermolecular hydrogen bonds are formed between water/deuterated molecules and silanol groups on borosilicate surface. In accordance with these findings, water and deuterated water molecules at the interface of capillary have a higher melting temperature.

  4. First-principles study of hydrogen-bonded molecular conductor κ -H3(Cat-EDT-TTF/ST)2

    Science.gov (United States)

    Tsumuraya, Takao; Seo, Hitoshi; Kato, Reizo; Miyazaki, Tsuyoshi

    2015-07-01

    We theoretically study hydrogen-bonded molecular conductors synthesized recently, κ -H3(Cat-EDT-TTF) 2 and its diselena analog, κ -H3(Cat-EDT-ST) 2, by first-principles density functional theory calculations. In these crystals, two H(Cat-EDT-TTF/ST) units share a hydrogen atom with a short O-H-O hydrogen bond. The calculated band structure near the Fermi level shows a quasi-two-dimensional character with a rather large interlayer dispersion due to the absence of insulating layers, in contrast with conventional molecular conductors. We discuss effective low-energy models based on H(Cat-EDT-TTF/ST) units and its dimers, respectively, where the microscopic character of the orbitals composing them are analyzed. Furthermore, we find a stable structure which is different from the experimentally determined structure, where the shared hydrogen atom becomes localized to one of the oxygen atoms, in which charge disproportionation between the two types of H(Cat-EDT-TTF) units is associated. The calculated potential energy surface for the H atom is very shallow near the minimum points; therefore the probability of the H atom can be delocalized between the two O atoms.

  5. A combined experimental and theoretical approach to the study of hydrogen bond interaction in the binary mixture of N-methylimidazole with water

    International Nuclear Information System (INIS)

    Huang, Rongyi; Du, Rongbin; Liu, Guangxiang; Zhao, Xiuqin; Ye, Shiyong; Wu, Genhua

    2012-01-01

    Highlights: ► Densities of N-methylimidazole with water binary mixture were measured. ► Excess molar volumes were fitted to Redlich–Kister polynomial equation. ► Excess molar volumes are negative in the whole mole fraction range. ► 1:1 Hydrogen complex formation between the unlike components was observed. ► Formation of hydrogen bonds in the binary mixture was confirmed by DFT//B3LYP. - Abstract: The intermolecular hydrogen bond interactions in the N-methylimidazole (MeIm) with water binary mixture have been studied by a combined experimental and theoretical approach. The densities of the binary mixture have been measured at T = (288.15 to 323.15) K and at atmospheric pressure. From the experimental data, excess molar volumes were determined as a function of composition at each temperature. The results reveal the formation of 1:1 hydrogen bond complex between MeIm with water at the maximal excess molar volume. Meanwhile, the formation of hydrogen bonds in the binary mixture was further confirmed by high level theoretical calculation. The structures, interactional energies and bond characteristics of the hydrogen bond complexes were calculated in the gas phase using density functional theory (DFT) at the B3LYP/6-311++G(d, p) theory levels. The changes of thermodynamic properties from the monomers to hydrogen bond complexes with the temperature ranging from (288.15 to 323.15) K were obtained using the statistical thermodynamic method. Thermodynamic analyses have been interpreted in terms of intermolecular interactions and excess molar volume changes in the binary mixture. It was also found that the formation reaction of the hydrogen bond complex of MeIm with water was an exothermic, entropy reduced and spontaneous thermodynamic process at all the temperature studied.

  6. Evidence for excited-state intramolecular proton transfer in 4-chlorosalicylic acid from combined experimental and computational studies: Quantum chemical treatment of the intramolecular hydrogen bonding interaction

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Bijan Kumar [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India); Guchhait, Nikhil, E-mail: nikhil.guchhait@rediffmail.com [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India)

    2012-07-25

    Highlights: Black-Right-Pointing-Pointer Experimental and computational studies on the photophysics of 4-chlorosalicylic acid. Black-Right-Pointing-Pointer Spectroscopically established ESIPT reaction substantiated by theoretical calculation. Black-Right-Pointing-Pointer Quantum chemical treatment of IMHB unveils strength, nature and directional nature. Black-Right-Pointing-Pointer Superiority of quantum chemical treatment of H-bond over geometric criteria. Black-Right-Pointing-Pointer Role of H-bond as a modulator of aromaticity. -- Abstract: The photophysical study of a pharmaceutically important chlorine substituted derivative of salicylic acid viz., 4-chlorosalicylic acid (4ClSA) has been carried out by steady-state absorption, emission and time-resolved emission spectroscopy. A large Stokes shifted emission band with negligible solvent polarity dependence marks the spectroscopic signature of excited-state intramolecular proton transfer (ESIPT) reaction in 4ClSA. Theoretical calculation by ab initio and Density Functional Theory methods yields results consistent with experimental findings. Theoretical potential energy surfaces predict the occurrence of proton transfer in S{sub 1}-state. Geometrical and energetic criteria, Atoms-In-Molecule topological parameters, Natural Bond Orbital population analysis have been exploited to evaluate the intramolecular hydrogen bond (IMHB) interaction and to explore its directional nature. The inter-correlation between aromaticity and resonance assisted H-bond is also discussed in this context. Our results unveil that the quantum chemical treatment is a more accurate tool to assess hydrogen bonding interaction in comparison to geometrical criteria.

  7. Comparison of the effect of hydrogel and solution forms of sodium ascorbate on orthodontic bracket-enamel shear bond strength immediately after bleaching: An in vitro study

    Directory of Open Access Journals (Sweden)

    Kimyai Soodabeh

    2010-01-01

    Full Text Available Aim: This study compared the effects of hydrogel and solution forms of sodium ascorbate (SA with two different application times on bracket bond strength subsequent to bleaching. Materials and Methods: A total of 72 sound premolars were randomly divided into six groups (n = 12: An unbleached control group (group one and five experimental groups of carbamide peroxide. Specimens in group two were bonded immediately after bleaching; specimens in groups three and four were bleached, then treated with SA solution for ten minutes and three hours, respectively, and then bonded. In groups five and six, SA hydrogel was used and the specimens were prepared similar to groups three and four, respectively. Following debonding, bond strengths were recorded in MPa. To evaluate the amount of resin left on the enamel surfaces, adhesive remnant index (ARI scores were used. Statistical Analysis: The bond strength data were analyzed with ANOVA and pairwise comparisons were made by Tukey test. The ARI data were subjected to Kruskal-Wallis test and two-by-two comparisons were made by the Mann-Whitney U test. Results: There were significant differences in bond strengths between the groups ( P < 0.0005. However, the differences between groups three, four, five and six were not significant. Furthermore, there were no significant differences between group one and groups four and six, whereas the differences between the other groups were significant ( P < 0.05. Regarding ARI, there were significant differences among the groups ( P = 0.004. Conclusion: Bleaching significantly decreased the bracket bond strength. Compromised bonding was reversed with a three-hour application of both forms of SA.

  8. Tensile and shear bond strength of hard and soft denture relining materials to the conventional heat cured acrylic denture base resin: An In-vitro study.

    Science.gov (United States)

    Lau, Mayank; Amarnath, G S; Muddugangadhar, B C; Swetha, M U; Das, Kopal Anshuraj Ashok Kumar

    2014-04-01

    article: Lau M, Amarnath GS, Muddugangadhar BC, Swetha MU, Das KA. Tensile and shear bond strength of hard and soft denture relining materials to the conventional heat cured acrylic denture base resin: An In-vitro study. J Int Oral Health 2014;6(2):55-61.

  9. Evaluation of the effect of three innovative recyling methods on the shear bond strength of stainless steel brackets-an in vitro study.

    Science.gov (United States)

    Gupta, Neeraj; Kumar, Dilip; Palla, Aparna

    2017-04-01

    Orthodontists are commonly faced with the decision of what to do with debonded or inaccurately positioned brackets. An economical option to this dilemma is to recycle the brackets. Many recycling methods have been proposed, but the optimal bond strength of these recycled brackets needs further evaluation. Objectives: To evaluate and compare the effect of three recycling methods: (i) Sandblasting (ii) Sandblasting / direct flaming (iii) Sandblasting /direct flaming /acid bath solution on shear bond strength (SBS) of stainless steel brackets. Eighty human premolars were bonded with premolar stainless steel brackets as per manufacturer's instructions. The teeth were divided into 4 groups (n=20): Recycling and initial debonding was not done in Control group (Group I). After initial bonding, the brackets in the rest of the three experimental groups were debonded and recycled by following methods: (i) Sandblasting (Group II) (ii) Sandblasting /direct flaming (Group III) (iii) Sandblasting /direct flaming /acid bath solution (Group IV). Further the recycled brackets were bonded. The specimens were then subjected to testing in a Universal machine. The evaluation of the variation of the shear bond strength (SBS) among test groups was done using one-way ANOVA test and inter-experimental group comparison was done by Newman-Keuls multiple post hoc procedure. Group I (8.6510±1.3943MPa) showed the highest bond strength followed by Group II (5.0185±0.9758MPa), Group IV (2.30±0.65MPa) and Group III (2.0455± 0.6196MPa). Statistically significant variations existed in the shear bond strength (SBS) in all groups analyzed except between Group III and Group IV. The following conclusions were drawn from the study: 1. Shear bond strength of new brackets is significantly higher than the recycled brackets. 2. Brackets sandblasted with 90µm aluminium oxide particle air-abrasion showed significantly higher shear bond strength compared to direct flaming/sandblasting and direct flaming

  10. The Effect of Two Soft Drinks on Bracket Bond Strength and on Intact and Sealed Enamel: An In Vitro Study

    Science.gov (United States)

    Pasha, Azam; Sindhu, D; Nayak, Rabindra S; Mamatha, J; Chaitra, K R; Vishwakarma, Swati

    2015-01-01

    Background and Objectives: This study was conducted to evaluate the effect of two soft drinks, Coca-Cola and Mirinda orange on bracket bond strength, on adhesive remnant on teeth after debonding the bracket, and to observe by means of scanning electron microscope (SEM) the effect of these drinks on intact and sealed enamel. Methods: 120 non-carious maxillary premolar teeth already extracted for Orthodontic purposes were taken and divided into three groups, i.e., Coca-Cola drink, Mirinda orange, and control (artificial saliva) group. Brackets were bonded using conventional methods. Teeth were kept in soft drinks for 15 days, for 15 min, 3 times a day, separated by intervals of 2 h. At other times, they were kept in artificial saliva. The samples, thus obtained were evaluated for shear bond strength using the universal testing machine and subsequently subjected for adhesive remnant index (ARI) scores. SEM study on all the three groups was done for evaluating enamel surface of the intact and sealed enamel. Results: The lowest mean resistance to shearing forces was shown by Mirinda orange group (5.30 ± 2.74 Mpa) followed by Coca-Cola group (6.24 ± 1.59 Mpa) and highest resistance to shearing forces by control group (7.33 ± 1.72 Mpa). The ARI scores revealed a cohesive failure in control samples and an adhesive failure in Mirinda and cola samples. SEM results showed areas of defect due to erosion caused by acidic soft drinks on intact and sealed enamel surface. Conclusion: Mirinda group showed the lowest resistance to shearing forces, followed by Coca-Cola group and with the highest resistance to shearing forces by the control group. There were significant differences between the control group and the study groups. Areas of defects, which were caused by erosion related to acidic soft drinks on the enamel surface around the adhesive, were seen. Areas of defects caused by Coca-Cola were more extensive when compared to Mirinda orange drink. PMID:26668477

  11. Maternal singing of lullabies during pregnancy and after birth: Effects on mother-infant bonding and on newborns' behaviour. Concurrent Cohort Study.

    Science.gov (United States)

    Persico, Giuseppina; Antolini, Laura; Vergani, Patrizia; Costantini, Walter; Nardi, Maria Teresa; Bellotti, Lidia

    2017-08-01

    Mother-infant bonding is of great importance for the development and the well-being of the baby. The aim of this Concurrent Cohort Study was to investigate the effects of mothers singing lullabies on bonding, newborns' behaviour and maternal stress. Eighty-three (singing cohort) and 85 (concurrent cohort) women were recruited at antenatal classes at 24 weeks g.a. and followed up to 3 months after birth. The Prenatal Attachment Inventory (PAI) and the Mother-to-Infant Bonding Scale (MIBS) were used to assess maternal-foetal attachment and postnatal bonding. No significant influence was found on Prenatal Attachment; by contrast, Postnatal Bonding was significantly greater (i.e. lower MIBS) in the singing group 3 months after birth (mean 1.28 vs 1.96; p=0.001). In the same singing group, the incidence of neonatal crying episodes in the first month was significantly lower (18.5% vs 28.2; psinging group, even in the second month after birth (22.8% vs 36.5; p=0.002). At the same time, a reduction was observed in the neonatal nightly awakening (1.5% vs 4.7; psinging lullabies could improve maternal-infant bonding. It could also have positive effects on neonatal behaviour and maternal stress. Copyright © 2017 Australian College of Midwives. Published by Elsevier Ltd. All rights reserved.

  12. Analysis on Adhesively-Bonded Joints of FRP-steel Composite Bridge under Combined Loading: Arcan Test Study and Numerical Modeling

    Directory of Open Access Journals (Sweden)

    Xu Jiang

    2016-01-01

    Full Text Available The research presented in this paper is an experimental study and numerical analysis on mechanical behavior of the adhesively-bonded joint between FRP sandwich bridge deck and steel girder. Generally, there are three typical stress states in the adhesively-bonded joint: shear stress, tensile stress, and combination of both. To realize these stress states in the adhesively-bonded joint during tests, a specific loading device is developed with the capacity of providing six different loading angles, which are 0°(pure tension, 18°, 36°, 54°, 72° and 90°(pure shear. Failure modes of adhesively-bonded joints are investigated. It indicates that, for the pure shear loading, the failure mode is the cohesive failure (near the interface between the adhesive layer and the steel support in the adhesive layer. For the pure tensile and combined loading conditions, the failure mode is the combination of fiber breaking, FRP delamination and interfacial adhesion failure between the FRP sandwich deck and the adhesive layer. The load-bearing capacities of adhesive joints under combined loading are much lower than those of the pure tensile and pure shear loading conditions. According to the test results of six angle loading conditions, a tensile/shear failure criterion of the adhesively-bonded joint is obtained. By using Finite Element (FE modeling method, linear elastic simulations are performed to characterize the stress distribution throughout the adhesively-bonded joint.

  13. Bony contact area and displacement of the temporomandibular joint after high-oblique and bilateral sagittal split osteotomy: a computer-simulated comparison.

    Science.gov (United States)

    Möhlhenrich, Stephan Christian; Kamal, Mohammad; Peters, Florian; Fritz, Ulrike; Hölzle, Frank; Modabber, Ali

    2016-04-01

    The most common way to move the mandible during orthognathic surgery is by bilateral sagittal split osteotomy (BSSO). The high-oblique sagittal split osteotomy (HSSO) is an alternative, although its use is limited by potential complications, mainly to do with the position of the condyle and reduced contact with bone. The aim of this study was to find out the optimal intercondylar distance and area of contact with the surface of the bone for mandibular advancement and setback in BSSO and HSSO. Data from computed tomographic (CT) images from 40 patients were loaded into special planning software, and virtual operations done for mandibular advancement and setback at 3, 5, 8, and 10mm using BSSO and HSSO, which resulted in 640 individual mandibular displacements. The resultant area of bony contact and intercondylar distance were calculated by the software. The mean (SD) areas of contact with the bony surface after 10mm advancement for HSSO and BSSO were 193.94 (63.76) mm(2) and 967.92 (229.21) mm(2), respectively, and after 10mm setback 202.64 (62.30) mm(2) and 1108.86 (247.38) mm(2). The mean corresponding intercondylar distance after maximum advancement were 86.76 (6.40) mm and 86.59 (6.24) mm, and after maximum setback 74.90 (5.73) mm and 73.06 (6.06) mm. There were significant differences between the two for the area of contact with the surface at each displacement distance (parea of bony contact can be expected at any displacement distance for BSSO, so the changes in intercondylar distance should not be considered when deciding which osteotomy to select. Copyright © 2015 The British Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

  14. Bony integration of titanium implants with a novel bioactive calcium titanate (Ca4Ti3O10) surface treatment in a rabbit model.

    Science.gov (United States)

    Haenle, Maximilian; Lindner, Tobias; Ellenrieder, Martin; Willfahrt, Manfred; Schell, Hanna; Mittelmeier, Wolfram; Bader, Rainer

    2012-10-01

    Nowadays total joint replacement is an indispensable component of modern medicine. The surfaces characteristics of cementless prostheses may be altered to achieve an accelerated and enduring bony integration. Classic surface coatings bear the risk of loosening or flaking from the implant body. This risk is excluded by the chemical conversion of the naturally existing TiO(2) surface layer into calcium titanate. The aim of this experimental animal study was to investigate the bony integration of implants with a new calcium titanate surface (Ca(4)Ti(3)O(10)) compared with a conventional standard Ti6Al4V surface. Cylindrical implants, made of titanium alloy (Ti6Al4V) were implanted in both lateral femoral condyles of New Zealand white rabbits. In each animal, an implant with and without surface treatment was inserted in a blinded manner. Animals were sacrificed after 4, 12, and 36 weeks, respectively. The axial pull-off forces were determined for 25 animals using a universal testing machine (Zwick Z010, Ulm, Germany). Furthermore, a histological analysis of the bony integration of the implants was performed in 12 specimens. In general, the pull-off forces for untreated and treated implants increased with longer survival times of the rabbits. No significant difference could be shown after 4 weeks between treated and untreated implants. After 12 weeks, the treated implants revealed a statistical significant higher pull-off force. After 36 weeks, the pull-off forces for treated and untreated implants aligned again. Titanium implants treated with calcium titanate, may offer an interesting and promising implant surface modification for endoprosthetic implants. They might lead to an accelerated osseointegration of total hip and knee replacements. Copyright © 2012 Wiley Periodicals, Inc.

  15. SU-E-J-24: Image-Guidance Using Cone-Beam CT for Stereotactic Body Radiotherapy (SBRT) of Lung Cancer Patients: Bony Alignment or Soft Tissue Alignment?

    Science.gov (United States)

    Wang, L; Turaka, A; Meyer, J; Spoka, D; Jin, L; Fan, J; Ma, C

    2012-06-01

    To assess the reliability of soft tissue alignment by comparing pre- and post-treatment cone-beam CT (CBCT) for image guidance in stereotactic body radiotherapy (SBRT) of lung cancers. Our lung SBRT procedures require all patients undergo 4D CT scan in order to obtain patient-specific target motion information through reconstructed 4D data using the maximum-intensity projection (MIP) algorithm. The internal target volume (ITV) was outlined directly from the MIP images and a 3-5 mm margin expansion was then applied to the ITV to create the PTV. Conformal treatment planning was performed on the helical images, to which the MIP images were fused. Prior to each treatment, CBCT was used for image guidance by comparing with the simulation CT and for patient relocalization based on the bony anatomy. Any displacement of the patient bony structure would be considered as setup errors and would be corrected by couch shifts. Theoretically, as the PTV definition included target internal motion, no further shifts other than setup corrections should be made. However, it is our practice to have treating physicians further check target localization within the PTV. Whenever the shifts based on the soft-tissue alignment (that is, target alignment) exceeded a certain value (e.g. 5 mm), a post-treatment CBCT was carried out to ensure that the tissue alignment is reliable by comparing between pre- and post-treatment CBCT. Pre- and post-CBCT has been performed for 7 patients so far who had shifts beyond 5 mm despite bony alignment. For all patients, post CBCT confirmed that the visualized target position was kept in the same position as before treatment after adjusting for soft-tissue alignment. For the patient population studied, it is shown that soft-tissue alignment is necessary and reliable in the lung SBRT for individual cases. © 2012 American Association of Physicists in Medicine.

  16. A Component-Based Study of the Effect of Diameter on Bond and Anchorage Characteristics of Blind-Bolted Connections.

    Directory of Open Access Journals (Sweden)

    Muhammad Nasir Amin

    Full Text Available Structural hollow sections are gaining worldwide importance due to their structural and architectural advantages over open steel sections. The only obstacle to their use is their connection with other structural members. To overcome the obstacle of tightening the bolt from one side has given birth to the concept of blind bolts. Blind bolts, being the practical solution to the connection hindrance for the use of hollow and concrete filled hollow sections play a vital role. Flowdrill, the Huck High Strength Blind Bolt and the Lindapter Hollobolt are the well-known commercially available blind bolts. Although the development of blind bolts has largely resolved this issue, the use of structural hollow sections remains limited to shear resistance. Therefore, a new modified version of the blind bolt, known as the "Extended Hollo-Bolt" (EHB due to its enhanced capacity for bonding with concrete, can overcome the issue of low moment resistance capacity associated with blind-bolted connections. The load transfer mechanism of this recently developed blind bolt remains unclear, however. This study uses a parametric approach to characterising the EHB, using diameter as the variable parameter. Stiffness and load-carrying capacity were evaluated at two different bolt sizes. To investigate the load transfer mechanism, a component-based study of the bond and anchorage characteristics was performed by breaking down the EHB into its components. The results of the study provide insight into the load transfer mechanism of the blind bolt in question. The proposed component-based model was validated by a spring model, through which the stiffness of the EHB was compared to that of its components combined. The combined stiffness of the components was found to be roughly equivalent to that of the EHB as a whole, validating the use of this component-based approach.

  17. A Component-Based Study of the Effect of Diameter on Bond and Anchorage Characteristics of Blind-Bolted Connections.

    Science.gov (United States)

    Amin, Muhammad Nasir; Zaheer, Salman; Alazba, Abdulrahman Ali; Saleem, Muhammad Umair; Niazi, Muhammad Umar Khan; Khurram, Nauman; Amin, Muhammad Tahir

    2016-01-01

    Structural hollow sections are gaining worldwide importance due to their structural and architectural advantages over open steel sections. The only obstacle to their use is their connection with other structural members. To overcome the obstacle of tightening the bolt from one side has given birth to the concept of blind bolts. Blind bolts, being the practical solution to the connection hindrance for the use of hollow and concrete filled hollow sections play a vital role. Flowdrill, the Huck High Strength Blind Bolt and the Lindapter Hollobolt are the well-known commercially available blind bolts. Although the development of blind bolts has largely resolved this issue, the use of structural hollow sections remains limited to shear resistance. Therefore, a new modified version of the blind bolt, known as the "Extended Hollo-Bolt" (EHB) due to its enhanced capacity for bonding with concrete, can overcome the issue of low moment resistance capacity associated with blind-bolted connections. The load transfer mechanism of this recently developed blind bolt remains unclear, however. This study uses a parametric approach to characterising the EHB, using diameter as the variable parameter. Stiffness and load-carrying capacity were evaluated at two different bolt sizes. To investigate the load transfer mechanism, a component-based study of the bond and anchorage characteristics was performed by breaking down the EHB into its components. The results of the study provide insight into the load transfer mechanism of the blind bolt in question. The proposed component-based model was validated by a spring model, through which the stiffness of the EHB was compared to that of its components combined. The combined stiffness of the components was found to be roughly equivalent to that of the EHB as a whole, validating the use of this component-based approach.

  18. Bond strength of masonry

    NARCIS (Netherlands)

    Pluijm, van der R.; Vermeltfoort, A.Th.

    1992-01-01

    Bond strength is not a well defined property of masonry. Normally three types of bond strength can be distinguished: - tensile bond strength, - shear (and torsional) bond strength, - flexural bond strength. In this contribution the behaviour and strength of masonry in deformation controlled uniaxial

  19. The Comparative Studies of Binding Activity of Curcumin and Didemethylated Curcumin with Selenite: Hydrogen Bonding vs Acid-Base Interactions

    Science.gov (United States)

    Liao, Jiahn-Haur; Wu, Tzu-Hua; Chen, Ming-Yi; Chen, Wei-Ting; Lu, Shou-Yun; Wang, Yi-Hsuan; Wang, Shao-Pin; Hsu, Yen-Min; Huang, Yi-Shiang; Huang, Zih-You; Lin, Yu-Ching; Chang, Ching-Ming; Huang, Fu-Yung; Wu, Shih-Hsiung

    2015-12-01

    In this report, the in vitro relative capabilities of curcumin (CCM) and didemethylated curcumin (DCCM) in preventing the selenite-induced crystallin aggregation were investigated by turbidity tests and isothermal titration calorimetry (ITC). DCCM showed better activity than CCM. The conformers of CCM/SeO32- and DCCM/SeO32- complexes were optimized by molecular orbital calculations. Results reveal that the selenite anion surrounded by CCM through the H-bonding between CCM and selenite, which is also observed via IR and NMR studied. For DCCM, the primary driving force is the formation of an acid-base adduct with selenite showing that the phenolic OH group of DCCM was responsible for forming major conformer of DCCM. The formation mechanisms of selenite complexes with CCM or DCCM explain why DCCM has greater activity than CCM in extenuating the toxicity of selenite as to prevent selenite-induced lens protein aggregation.

  20. Investigation of electronic structure and chemical bonding of intermetallic Pd2HfIn: An ab-initio study

    Science.gov (United States)

    Bano, Amreen; Gaur, N. K.

    2018-05-01

    Ab-initio calculations are carried out to study the electronic and chemical bonding properties of Intermetallic full Heusler compound Pd2HfIn which crystallizes in F-43m structure. All calculations are performed by using density functional theory (DFT) based code Quantum Espresso. Generalized gradient approximations (GGA) of Perdew- Burke- Ernzerhof (PBE) have been adopted for exchange-correlation potential. Calculated electronic band structure reveals the metallic character of the compound. From partial density of states (PDoS), we found the presence of relatively high intensity electronic states of 4d-Pd atom at Fermi level. We have found a pseudo-gap just abouve the Fermi level and N(E) at Fermi level is observed to be 0.8 states/eV, these finding indicates the existence of superconducting character in Pd2HfIn.

  1. Exact exchange and Wilson-Levy correlation: a pragmatic device for studying complex weakly-bonded systems.

    Science.gov (United States)

    Walsh, T R

    2005-02-07

    The Wilson-Levy (WL) correlation functional is used together with Hartree-Fock (HF) theory to evaluate interaction energies at intermediate separations (i.e. around equilibrium separation) for several weakly-bonded systems. The HF+WL approach reproduces binding trends for all complexes studied: selected rare-gas dimers, isomers of the methane dimer, benzene dimer and naphthalene dimer, and base-pair stacking structures for pyrimidine, cytosine, uracil and guanine dimers. These HF+WL data are contrasted against results obtained from some popular functionals (including B3LYP and PBE), as well as two newly-developed functionals, X3LYP and xPBE. The utility of HF+WL, with reference to exact-exchange (EXX) density-functional theory, is discussed in terms of a suggested EXXWL exchange-correlation functional.

  2. Patterns of congenital bony spinal deformity and associated neural anomalies on X-ray and magnetic resonance imaging.

    Science.gov (United States)

    Trenga, Anthony P; Singla, Anuj; Feger, Mark A; Abel, Mark F

    2016-08-01

    Congenital malformations of the bony vertebral column are often accompanied by spinal cord anomalies; these observations have been reinforced with the use of magnetic resonance imaging (MRI). We hypothesized that the incidence of cord anomalies will increase as the number and complexity of bony vertebral abnormalities increases. All patients aged ≤13 years (n = 75) presenting to the pediatric spine clinic from 2003-2013 with congenital bony spinal deformity and both radiographs and MRI were analyzed retrospectively for bone and neural pathology. Chi-squared analysis was used to compare groups for categorical dependent variables. Independent t tests were used for continuous dependent variables. Significance was set at p formation had a higher incidence of cord anomalies (73 %) than failures of formation (50 %) or segmentation (45 %) alone (p = 0.065). Deformities in the sacrococcygeal area had the highest rate of spinal cord anomalies (13 of 15 patients, 87 %). In 35 cases (47 %), MRI revealed additional bony anomalies that were not seen on the radiographs. As the number of bony malformations increased, we found a higher incidence of cord anomalies. Clinicians should have increased suspicion of spinal cord pathology in the presence of mixed failures of segmentation and formation.

  3. Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose I beta

    Science.gov (United States)

    In the crystal structure of cellulose Ibeta, disordered hydrogen (H) bonding can be represented by the average of two mutually exclusive H bonding schemes that have been designated A and B. An unanswered question is whether A and B interconvert dynamically, or whether they are static but present in ...

  4. A PBE hybrid functional study of blue-shifting and red-shifting hydrogen bonds in p hydrocarbons

    Directory of Open Access Journals (Sweden)

    Boaz Galdino de Oliveira

    2009-07-01

    Full Text Available This study examines a selected group of p hydrocarbon complexes, represented by C2H4•••HCF3, C2H2•••HCF3, C2H4•••HCF3 and C2H2•••HCF3, from a theoretical point of view. From BPBE/6-311++G(d,p calculations, the geometrical results of these complexes revealed an elongation and shortening of the H—C bond lengths of chloroform (HCCl3 and fluoroform (HCF3, respectively. In terms of the infrared spectrum, the analysis of stretch frequencies revealed that the variations in the H—C modes are essentially recognized as red and blue-shifting modes. For the purposes of understanding the two vibrational phenomena of the p hydrocarbon complexes studied here, PBE/6-311++G(d,p calculations were carried out and partitioning of atomic charges derived from the ChelpG algorithm were also used. A theoretical justification of red- and blue-shift effects was drawn up using charge-transfer analysis, which is manifested in the p bonds of acetylene and ethylene to chloroform (H—CCl3 and fluoroform (H—CF3, respectively. Finally, a further debate regarding the distinct polarizability power of chloroform and fluoroform is presented, concluding that, in comparison with fluoroform, chloroform possesses the requisite features for conventional proton donors and a red-shift is therefore observed in the C2H4•••HCCl3 and C2H2•••HCCl3 complexes.

  5. Study the bonding mechanism of binders on hydroxyapatite surface and mechanical properties for 3DP fabrication bone scaffolds.

    Science.gov (United States)

    Wei, Qinghua; Wang, Yanen; Li, Xinpei; Yang, Mingming; Chai, Weihong; Wang, Kai; zhang, Yingfeng

    2016-04-01

    In 3DP fabricating artificial bone scaffolds process, the interaction mechanism between binder and bioceramics power determines the microstructure and macro mechanical properties of Hydroxyapatite (HA) bone scaffold. In this study, we applied Molecular Dynamics (MD) methods to investigating the bonding mechanism and essence of binders on the HA crystallographic planes for 3DP fabrication bone scaffolds. The cohesive energy densities of binders and the binding energies, PCFs g(r), mechanical properties of binder/HA interaction models were analyzed through the MD simulation. Additionally, we prepared the HA bone scaffold specimens with different glues by 3DP additive manufacturing, and tested their mechanical properties by the electronic universal testing machine. The simulation results revealed that the relationship of the binding energies between binders and HA surface is consistent with the cohesive energy densities of binders, which is PAM/HA>PVA/HA>PVP/HA. The PCFs g(r) indicated that their interfacial interactions mainly attribute to the ionic bonds and hydrogen bonds which formed between the polar atoms, functional groups in binder polymer and the Ca, -OH in HA. The results of mechanical experiments verified the relationship of Young׳s modulus for three interaction models in simulation, which is PVA/HA>PAM/HA>PVP/HA. But the trend of compressive strength is PAM/HA>PVA/HA>PVP/HA, this is consistent with the binding energies of simulation. Therefore, the Young׳s modulus of bone scaffolds are limited by the Young׳s modulus of binders, and the compressive strength is mainly decided by the viscosity of binder. Finally, the major reasons for differences in mechanical properties between simulation and experiment were found, the space among HA pellets and the incomplete infiltration of glue were the main reasons influencing the mechanical properties of 3DP fabrication HA bone scaffolds. These results provide useful information in choosing binder for 3DP fabrication

  6. A class III chitinase without disulfide bonds from the fern, Pteris ryukyuensis: crystal structure and ligand-binding studies.

    Science.gov (United States)

    Kitaoku, Yoshihito; Umemoto, Naoyuki; Ohnuma, Takayuki; Numata, Tomoyuki; Taira, Toki; Sakuda, Shohei; Fukamizo, Tamo

    2015-10-01

    We first solved the crystal structure of class III catalytic domain of a chitinase from fern (PrChiA-cat), and found a structural difference between PrChiA-cat and hevamine. PrChiA-cat was found to have reduced affinities to chitin oligosaccharides and allosamidin. Plant class III chitinases are subdivided into enzymes with three disulfide bonds and those without disulfide bonds. We here referred to the former enzymes as class IIIa chitinases and the latter as class IIIb chitinases. In this study, we solved the crystal structure of the class IIIb catalytic domain of a chitinase from the fern Pteris ryukyuensis (PrChiA-cat), and compared it with that of hevamine, a class IIIa chitinase from Hevea brasiliensis. PrChiA-cat was found to adopt an (α/β)8 fold typical of GH18 chitinases in a similar manner to that of hevamine. However, PrChiA-cat also had two large loops that extruded from the catalytic site, and the corresponding loops in hevamine were markedly smaller than those of PrChiA-cat. An HPLC analysis of the enzymatic products revealed that the mode of action of PrChiA-cat toward chitin oligosaccharides, (GlcNAc) n (n = 4-6), differed from those of hevamine and the other class IIIa chitinases. The binding affinities of (GlcNAc)3 and (GlcNAc)4 toward the inactive mutant of PrChiA-cat were determined by isothermal titration calorimetry, and were markedly lower than those toward other members of the GH18 family. The affinity and the inhibitory activity of allosamidin toward PrChiA-cat were also lower than those toward the GH18 chitinases investigated to date. Several hydrogen bonds found in the crystal structure of hevamine-allosamidin complex were missing in the modeled structure of PrChiA-cat-allosamidin complex. The structural findings for PrChiA-cat successfully interpreted the functional data presented.

  7. The shear bond strength of self-adhesive resin cements to dentin and enamel: an in vitro study.

    Science.gov (United States)

    Rodrigues, Raphaela F; Ramos, Carla M; Francisconi, Paulo A S; Borges, Ana Flávia S

    2015-03-01

    Clinicians continue to search for ways to simplify bonding procedures without compromising clinical efficacy. The purpose of this study was to evaluate the shear strength of self-adhesive cements RelyX U100 and RelyX U200, and conventional resin cement RelyX ARC to enamel and dentin after different surface treatments. The crowns of 120 bovine incisor teeth were separated from the roots and embedded in epoxy resin in polyvinyl chloride tubes. In each tooth, the area to be cemented was delimited with central holed adhesive tape. The teeth were distributed into 12 groups (n=10) according to the substrate; etched or not with 37% phosphoric acid; and cement type of enamel-U100, enamel-phosphoric acid-U100, enamel-U200, enamel-phosphoric acid-U200, enamel-ARC, enamel-phosphoric acid-ARC, dentin-U100, dentin-phosphoric acid-U100, dentin-U200, dentin-phosphoric acid-U200, dentin-ARC, and dentin-phosphoric acid-ARC. After 7 days of storage in artificial saliva, shear strength tests were performed by using a universal testing machine (0.5 mm/min). The data were analyzed with 3-way ANOVA and the Tukey test (α=.05). Fracture analysis was performed with a light microscope. Two specimens from each group were analyzed with a scanning electron microscope. In enamel, ARC (9.96 MPa) had higher shear strength (P=.038) than U100 (5.14 MPa); however, after surface etching, U100 (17.81 MPa) and U200 (17.52 MPa) had higher shear strength (Padhesive type. U200 self-adhesive cement had similar bond strength to the ARC in enamel, but the combination with phosphoric acid had the best bond strength. For dentin, self-adhesive resin cements are equally effective alternatives to conventional resin cement. Copyright © 2015 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

  8. Evaluation of bond strength between grooved titanium alloy implant abutments and provisional veneering materials after surface treatment of the abutments: An in vitro study

    Directory of Open Access Journals (Sweden)

    Gowtham Venkat

    2017-01-01

    Full Text Available Introduction: Titanium has become the material of choice with greater applications in dental implants. The success of the dental implant does not only depend on the integration of the implant to the bone but also on the function and longevity of the superstructure. The clinical condition that demands long-term interim prosthesis is challenging owing to the decreased bond between the abutment and the veneering material. Hence, various surface treatments are done on the abutments to increase the bond strength. Aim: This study aimed to evaluate the bond strength between the abutment and the provisional veneering materials by surface treatments such as acid etching, laser etching, and sand blasting of the abutment. Materials and Methods: Forty titanium alloy abutments of 3 mm diameter and 11 mm height were grouped into four groups with ten samples. Groups A, B, C, and D are untreated abutments, sand blasted with 110 μm aluminum particles, etched with 1% hydrofluoric acid and 30% nitric acid, and laser etched with Nd: YAG laser, respectively. Provisional crowns were fabricated with bis-acrylic resin and cemented with noneugenol temporary luting cement. The shear bond strength was measured in universal testing machine using modified Shell–Nielsen shear test after the cemented samples were stored in water at 25°C for 24 h. Load was applied at a constant cross head speed of 5 mm/min until a sudden decrease in resistance indicative of bond failure was observed. The corresponding force values were recorded, and statistical analysis was done using one-way ANOVA and Newman–Keuls post hoc test. Results: The laser-etched samples showed higher bond strength. Conclusion: Among the three surface treatments, laser etching showed the highest bond strength between titanium alloy implant abutment and provisional restorations. The sand-blasted surfaces demonstrated a significant difference in bond strength compared to laser-etched surfaces. The results of this

  9. Study on pivot-point vibration of molecular bond-rupture events by quartz crystal microbalance for biomedical diagnostics.

    Science.gov (United States)

    Yuan, Yong J; Jia, Renjie

    2012-01-01

    Bond-rupture scanning for biomedical diagnostics is examined using quartz crystal microbalance (QCM) experiments and microparticle mechanics modeling calculations. Specific and nonspecific interactions between a microparticle and its binding QCM surface can be distinguished by gradually increasing the amplitude of driving voltage applied to QCM and monitoring its frequency changes. This research proposes a mechanical model of interactions between biological molecules and a QCM substrate surface. The mechanical force required to break a biotin-streptavidin bond was calculated through a one-pivot-point bottom-up vibration model. The bond-rupture force increases with an increase of the microparticle radius, the QCM resonant frequency, and the amplitude of driving voltage applied to the QCM. The significance of the research on biological molecular bond rupture is extremely important in characterizing microbial (such as cells and virus) specificity, due to the force magnitude needed to break bonds using a transducer.

  10. Bone fragment union and remodeling after arthroscopic bony bankart repair for traumatic anterior shoulder instability with a glenoid defect: influence on postoperative recurrence of instability.

    Science.gov (United States)

    Nakagawa, Shigeto; Ozaki, Ritsuro; Take, Yasuhiro; Mae, Tatsuo; Hayashida, Kenji

    2015-06-01

    Although good clinical outcomes have been reported after arthroscopic bony Bankart repair, the extent of bone union is still unclear. To investigate bone union after arthroscopic bony Bankart repair and its influence on postoperative recurrence of instability. Cohort study; Level of evidence, 3. Among 113 consecutive shoulders that underwent arthroscopic bony Bankart repair, postoperative evaluation of bone union by computed tomography (CT) was performed at various times in 81 shoulders. Bone union was investigated during 3 periods: 3 to 6 months postoperatively (first period), 7 to 12 months postoperatively (second period), and 13 months or more postoperatively (third period). The influence of the size of the preoperative glenoid defect and the size of the bone fragment on bone union was investigated, as well as the influence of bone union on postoperative recurrence of instability. In shoulders with bone union, bone fragment remodeling and changes in the glenoid defect size were also investigated. The bone union rate was 30.5% in the first period, 55.3% in the second period, and 84.6% in the third period. Among 53 shoulders with CT evaluation in the second period or later and follow-up for a minimum of 1 year, there was complete union in 33 shoulders (62.3%), partial union in 3 (5.7%), nonunion in 8 (15.1%), and no fragment on CT in 9 (17.0%). The complete union rate was 50% for 22 shoulders with small bone fragments (fragments (5%-10%), and 86.7% for 15 shoulders with large fragments (>10%). The recurrence rate for postoperative instability was only 6.1% for shoulders with complete union, while it was 50% for shoulders with partial union, nonunion, no fragment, and no fragment on CT. The recurrence rate was significantly higher (36.4%) in shoulders with small fragments, but it was significantly lower in shoulders with bone union. In shoulders with bone union, the bone fragment frequently became larger over time, while the size of the glenoid defect decreased

  11. Comparison of prostate set-up accuracy and margins with off-line bony anatomy corrections and online implanted fiducial-based corrections.

    Science.gov (United States)

    Greer, P B; Dahl, K; Ebert, M A; Wratten, C; White, M; Denham, J W

    2008-10-01

    The aim of the study was to determine prostate set-up accuracy and set-up margins with off-line bony anatomy-based imaging protocols, compared with online implanted fiducial marker-based imaging with daily corrections. Eleven patients were treated with implanted prostate fiducial markers and online set-up corrections. Pretreatment orthogonal electronic portal images were acquired to determine couch shifts and verification images were acquired during treatment to measure residual set-up error. The prostate set-up errors that would result from skin marker set-up, off-line bony anatomy-based protocols and online fiducial marker-based corrections were determined. Set-up margins were calculated for each set-up technique using the percentage of encompassed isocentres and a margin recipe. The prostate systematic set-up errors in the medial-lateral, superior-inferior and anterior-posterior directions for skin marker set-up were 2.2, 3.6 and 4.5 mm (1 standard deviation). For our bony anatomy-based off-line protocol the prostate systematic set-up errors were 1.6, 2.5 and 4.4 mm. For the online fiducial based set-up the results were 0.5, 1.4 and 1.4 mm. A prostate systematic error of 10.2 mm was uncorrected by the off-line bone protocol in one patient. Set-up margins calculated to encompass 98% of prostate set-up shifts were 11-14 mm with bone off-line set-up and 4-7 mm with online fiducial markers. Margins from the van Herk margin recipe were generally 1-2 mm smaller. Bony anatomy-based set-up protocols improve the group prostate set-up error compared with skin marks; however, large prostate systematic errors can remain undetected or systematic errors increased for individual patients. The margin required for set-up errors was found to be 10-15 mm unless implanted fiducial markers are available for treatment guidance.

  12. Modeling of the bony pelvis from MRI using a multi-atlas AE-SDM for registration and tracking in image-guided robotic prostatectomy.

    Science.gov (United States)

    Gao, Qinquan; Chang, Ping-Lin; Rueckert, Daniel; Ali, S Mohammed; Cohen, Daniel; Pratt, Philip; Mayer, Erik; Yang, Guang-Zhong; Darzi, Ara; Edwards, Philip Eddie

    2013-03-01

    A fundamental challenge in the development of image-guided surgical systems is alignment of the preoperative model to the operative view of the patient. This is achieved by finding corresponding structures in the preoperative scans and on the live surgical scene. In robot-assisted laparoscopic prostatectomy (RALP), the most readily visible structure is the bone of the pelvic rim. Magnetic resonance imaging (MRI) is the modality of choice for prostate cancer detection and staging, but extraction of bone from MRI is difficult and very time consuming to achieve manually. We present a robust and fully automated multi-atlas pipeline for bony pelvis segmentation from MRI, using a MRI appearance embedding statistical deformation model (AE-SDM). The statistical deformation model is built using the node positions of deformations obtained from hierarchical registrations of full pelvis CT images. For datasets with corresponding CT and MRI images, we can transform the MRI into CT SDM space. MRI appearance can then be used to improve the combined MRI/CT atlas to MRI registration using SDM constraints. We can use this model to segment the bony pelvis in a new MRI image where there is no CT available. A multi-atlas segmentation algorithm is introduced which incorporates MRI AE-SDMs guidance. We evaluated the method on 19 subjects with corresponding MRI and manually segmented CT datasets by performing a leave-one-out study. Several metrics are used to quantify the overlap between the automatic and manual segmentations. Compared to the manual gold standard segmentations, our robust segmentation method produced an average surface distance 1.24±0.27mm, which outperforms state-of-the-art algorithms for MRI bony pelvis segmentation. We also show that the resulting surface can be tracked in the endoscopic view in near real time using dense visual tracking methods. Results are presented on a simulation and a real clinical RALP case. Tracking is accurate to 0.13mm over 700 frames

  13. Comparison of prostate set-up accuracy and margins with off-line bony anatomy corrections and online implanted fiducial-based corrections

    International Nuclear Information System (INIS)

    Greer, P. B.; Dahl, K.; Ebert, M. A.; Wratten, C.; White, M.; Denham, K. W.

    2008-01-01

    Full text: The aim of the study was to determine prostate set-up accuracy and set-up margins with off-line bony anatomy-based imaging protocols, compared with online implanted fiducial marker-based imaging with daily corrections. Eleven patients were treated with implanted prostate fiducial markers and online set-up corrections. Pretreatment orthogonal electronic portal images were acquired to determine couch shifts and verification images were acquired during treatment to measure residual set-up error. The prostate set-up errors that would result from skin marker set-up, off-line bony anatomy-based protocols and online fiducial marker-based corrections were determined. Set-up margins were calculated for each set-up technique using the percentage of encompassed isocentres land a margin recipe. The prostate systematic set-up errors in the medial-lateral, superior-inferior and anterior-I posterior directions for skin marker set-up were 2.2, 3.6 and 4.5 mm (1 standard deviation). For our bony anatomy-I based off-line protocol the prostate systematic set-up errors were 1.6, 2.5 and 4.4 mm. For the online fiducial based set-up the results were 0.5, 1.4 and 1.4 mm. A prostate systematic error of 10.2 mm was uncorrected by the off-line bone protocol in one patient. Set-up margins calculated to encompass 98% of prostate set-up shifts were 111-14 mm with bone off-line set-up and 4-7 mm with online fiducial markers. Margins from the van Herk margin I recipe were generally 1-2 mm smaller. Bony anatomy-based set-up protocols improve the group prostate set-up error compared with skin marks; however, large prostate systematic errors can remain undetected or systematic (errors increased for individual patients. The margin required for set-up errors was found to be 10-15 mm unless I implanted fiducial markers are available for treatment guidance.

  14. The Effect of Titanium Tetrafluoride and Sodium Hypochlorite on the Shear Bond Strength of Methacrylate and Silorane Based Composite Resins: an In-Vitro Study.

    Science.gov (United States)

    Sharafeddin, Farahnaz; Koohpeima, Fatemeh; Razazan, Nader

    2017-06-01

    The bond strength of composites with different adhesive systems with dentin is an important factor in long term durability of composite restorations. The effect of titanium tetrafluoride (TiF 4 ) as anti caries agent and sodium hypochlorite (NaOCl) as disinfectant on the shear bond of nanofilled and silorane based composite resins have not been investigated in previous studies. This study was conducted to determine bond strength between dentin and two composite systems, by means of shear bond test using TiF 4 and NaOCl. Middle dentin of 60 intact extracted maxillary premolar teeth were exposed by sectioning the crowns at a depth of 2mm from central groove and parallel to the occlusal surface. Standardized smear layer was created using a 600-grit silicon carbide paper and then samples were embedded in acrylic resin blocks. Then the samples were randomly divided into 6 \\groups summarized as Group I: Z350, Group II: Z350+ NaOCl, Group III: Z350+ TiF 4 , Group IV: P90, Group V: P90+ NaOCl, Group VI: P90+ TiF 4 according to manufacturer's instruction. Then samples were subjected to shear bond strength (SBS) test using universal testing machine and data were analyzed using ANOVA and Tukey tests ( p composite resin ( p = 0.004), and also silorane based composite resin ( p = 0.006). Application of 4% TiF 4 caused a significant increase in SBS of silorane based composite resin ( p = 0.001). The effect of TiF 4 on nanofilled composite was not statistically significant. Using TiF 4 has a positive effect on increasing the shear bond while NaOCl has negative effect on bond strength.

  15. Binuclear Pt-Tl bonded complex with square pyramidal coordination around Pt: a combined multinuclear NMR, EXAFS, UV-Vis, and DFT/TDDFT study in dimethylsulfoxide solution.

    Science.gov (United States)

    Purgel, Mihály; Maliarik, Mikhail; Glaser, Julius; Platas-Iglesias, Carlos; Persson, Ingmar; Tóth, Imre

    2011-07-04

    The structure and bonding of a new Pt-Tl bonded complex formed in dimethylsulfoxide (dmso), (CN)(4)Pt-Tl(dmso)(5)(+), have been studied by multinuclear NMR and UV-vis spectroscopies, and EXAFS measurements in combination with density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations. This complex is formed following the equilibrium reaction Pt(CN)(4)(2-) + Tl(dmso)(6)(3+) ⇆ (CN)(4)Pt-Tl(dmso)(5)(+) + dmso. The stability constant of the Pt-Tl bonded species, as determined using (13)C NMR spectroscopy, amounts to log K = 2.9 ± 0.2. The (NC)(4)Pt-Tl(dmso)(5)(+) species constitutes the first example of a Pt-Tl bonded cyanide complex in which the sixth coordination position around Pt (in trans with respect to the Tl atom) is not occupied. The spectral parameters confirm the formation of the metal-metal bond, but differ substantially from those measured earlier in aqueous solution for complexes (CN)(5)Pt-Tl(CN)(n)(H(2)O)(x)(n-) (n = 0-3). The (205) Tl NMR chemical shift, δ = 75 ppm, is at extraordinary high field, while spin-spin coupling constant, (1)J(Pt-Tl) = 93 kHz, is the largest measured to date for a Pt-Tl bond in the absence of supporting bridging ligands. The absorption spectrum is dominated by two strong absorption bands in the UV region that are assigned to MMCT (Pt → Tl) and LMCT (dmso → Tl) bands, respectively, on the basis of MO and TDDFT calculations. The solution of the complex has a bright yellow color as a result of a shoulder present on the low energy side of the band at 355 nm. The geometry of the (CN)(4)Pt-Tl core can be elucidated from NMR data, but the particular stoichiometry and structure involving the dmso ligands are established by using Tl and Pt L(III)-edge EXAFS measurements. The Pt-Tl bond distance is 2.67(1) Å, the Tl-O bond distance is 2.282(6) Å, and the Pt-C-N entity is linear with Pt-C and Pt···N distances amounting to 1.969(6) and 3.096(6) Å, respectively. Geometry optimizations on

  16. Bond length variation in Zn substituted NiO studied from extended X-ray absorption fine structure

    Science.gov (United States)

    Singh, S. D.; Poswal, A. K.; Kamal, C.; Rajput, Parasmani; Chakrabarti, Aparna; Jha, S. N.; Ganguli, Tapas

    2017-06-01

    Bond length behavior for Zn substituted NiO is determined through extended x-ray absorption fine structure (EXAFS) measurements performed at ambient conditions. We report bond length value of 2.11±0.01 Å for Zn-O of rock salt (RS) symmetry, when Zn is doped in RS NiO. Bond length for Zn substituted NiO RS ternary solid solutions shows relaxed behavior for Zn-O bond, while it shows un-relaxed behavior for Ni-O bond. These observations are further supported by first-principles calculations. It is also inferred that Zn sublattice remains nearly unchanged with increase in lattice parameter. On the other hand, Ni sublattice dilates for Zn compositions up to 20% to accommodate increase in the lattice parameter. However, for Zn compositions more than 20%, it does not further dilate. It has been attributed to the large disorder that is incorporated in the system at and beyond 20% of Zn incorporation in the cubic RS lattice of ternary solid solutions. For these large percentages of Zn incorporation, the Ni and the Zn atoms re-arrange themselves microscopically about the same nominal bond length rather than systematically increase in magnitude to minimize the energy of the system. This results in an increase in the Debye-Waller factor with increase in the Zn concentration rather than a systematic increase in the bond lengths.

  17. Hydrogenation of graphene nanoflakes and C-H bond dissociation of hydrogenated graphene nanoflakes: a density functional theory study

    Institute of Scientific and Technical Information of China (English)

    Sheng Tao; Hui-Ting Liu; Liu-Ming Yan; Bao-Hua Yue; Ai-Jun Li

    2017-01-01

    The Gibbs free energy change for the hydrogenation of graphene nanoflakes Cn (n =24,28,30 and 32) and the C-H bond dissociation energy of hydrogenated graphene nanoflakes CnHm (n =24,28,30 and 32;and m =1,2 and 3) are evaluated using density functional theory calculations.It is concluded that the graphene nanoflakes and hydrogenated graphene nanoflakes accept the ortharyne structure with peripheral carbon atoms bonded via the most triple bonds and leaving the least unpaired dangling electrons.Five-membered rings are formed at the deep bay sites attributing to the stabilization effect from the pairing of dangling electrons.The hydrogenation reactions which eliminate one unpaired dangling electron and thus decrease the overall multiplicity of the graphene nanoflakes or hydrogenated graphene nanoflakes are spontaneous with negative or near zero Gibbs free energy change.And the resulting C-H bonds are stable with bond dissociation energy in the same range as those of aromatic compounds.The other C-H bonds are not as stable attributing to the excessive unpaired dangling electrons being filled into the C-H anti-bond orbital.

  18. Evidence for phosphorus bonding in phosphorus trichloride-methanol adduct: a matrix isolation infrared and ab initio computational study.

    Science.gov (United States)

    Joshi, Prasad Ramesh; Ramanathan, N; Sundararajan, K; Sankaran, K

    2015-04-09

    The weak interaction between PCl3 and CH3OH was investigated using matrix isolation infrared spectroscopy and ab initio computations. In a nitrogen matrix at low temperature, the noncovalent adduct was generated and characterized using Fourier transform infrared spectroscopy. Computations were performed at B3LYP/6-311++G(d,p), B3LYP/aug-cc-pVDZ, and MP2/6-311++G(d,p) levels of theory to optimize the possible geometries of PCl3-CH3OH adducts. Computations revealed two minima on the potential energy surface, of which, the global minimum is stabilized by a noncovalent P···O interaction, known as a pnictogen bonding (phosphorus bonding or P-bonding). The local minimum corresponded to a cyclic adduct, stabilized by the conventional hydrogen bonding (Cl···H-O and Cl···H-C interactions). Experimentally, 1:1 P-bonded PCl3-CH3OH adduct in nitrogen matrix was identified, where shifts in the P-Cl modes of PCl3, O-C, and O-H modes of CH3OH submolecules were observed. The observed vibrational frequencies of the P-bonded adduct in a nitrogen matrix agreed well with the computed frequencies. Furthermore, computations also predicted that the P-bonded adduct is stronger than H-bonded adduct by ∼1.56 kcal/mol. Atoms in molecules and natural bond orbital analyses were performed to understand the nature of interactions and effect of charge transfer interaction on the stability of the adducts.

  19. Comparison of shear bond strengths of conventional orthodontic composite and nano-ceramic restorative composite: an in vitro study.

    Science.gov (United States)

    Nagar, Namit; Vaz, Anna C

    2013-01-01

    To compare the shear bond strength of a nano-ceramic restorative composite Ceram-X Mono(TM♦), a restorative resin with the traditional orthodontic composite Transbond XT(TM†) and to evaluate the site of bond failure using Adhesive Remnant Index. Sixty extracted human premolars were divided into two groups of 30 each. Stainless steel brackets were bonded using Transbond XT(TM†) (Group I) and Ceram-X Mono(TM♦) (Group II) according to manufacturer's protocol. Shear bond strength was measured on Universal testing machine at crosshead speed of 1 mm/minute. Adhesive Remnant Index scores were assigned to debonded brackets of each group. Data was analyzed using unpaired 't' test and Chi square test. The mean shear bond strength of Group I (Transbond XT(TM†)) was 12.89 MPa ± 2.19 and that of Group II (Ceram-X Mono(TM)) was 7.29 MPa ± 1.76. Unpaired 't' test revealed statistically significant differences amongst the shear bond strength of the samples measured. Chi-square test revealed statistically insignificant differences amongst the ARI scores of the samples measured. Ceram-X Mono(TM♦) had a lesser mean shear bond strength when compared to Transbond XT(TM†) which was statistically significant difference. However, the mean shear bond of Ceram X Mono was within the clinically acceptable range for bonding. Ceram-X Mono(TM†) and Transbond XT(TM†) showed cohesive fracture of adhesive in 72.6% and 66.6% of the specimens, respectively.

  20. Comparison of shear bond strengths of conventional orthodontic composite and nano-ceramic restorative composite: An in vitro study

    Directory of Open Access Journals (Sweden)

    Namit Nagar

    2013-01-01

    Full Text Available Objectives: To compare the shear bond strength of a nano-ceramic restorative composite Ceram-X MonoTM♦, a restorative resin with the traditional orthodontic composite Transbond XTTM† and to evaluate the site of bond failure using Adhesive Remnant Index. Materials and Methods: Sixty extracted human premolars were divided into two groups of 30 each. Stainless steel brackets were bonded using Transbond XTTM† (Group I and Ceram-X MonoTM♦ (Group II according to manufacturer′s protocol. Shear bond strength was measured on Universal testing machine at crosshead speed of 1 mm/minute. Adhesive Remnant Index scores were assigned to debonded brackets of each group. Data was analyzed using unpaired ′t′ test and Chi square test. Results: The mean shear bond strength of Group I (Transbond XTTM† was 12.89 MPa ± 2.19 and that of Group II (Ceram-X MonoTM was 7.29 MPa ± 1.76. Unpaired ′t′ test revealed statistically significant differences amongst the shear bond strength of the samples measured. Chi-square test revealed statistically insignificant differences amongst the ARI scores of the samples measured. Conclusions: Ceram-X MonoTM♦ had a lesser mean shear bond strength when compared to Transbond XTTM† which was statistically significant difference. However, the mean shear bond of Ceram X Mono was within the clinically acceptable range for bonding. Ceram-X MonoTM† and Transbond XTTM† showed cohesive fracture of adhesive in 72.6% and 66.6% of the specimens, respectively.

  1. Strength of Al and Al-Mg/alumina bonds prepared using ultrahigh vacuum diffusion bonding

    International Nuclear Information System (INIS)

    King, W.E.; Campbell, G.H.; Wien, W.L.; Stoner, S.L.

    1994-01-01

    The authors have measured the cross-breaking strength of Al and Al-Mg alloys bonded with alumina. Diffusion bonding of Al and Al-Mg alloys requires significantly more bonding time than previously thought to obtain complete bonding. In contrast to previous diffusion bonding studies, fracture morphologies are similar to those obtained in bonds formed by liquid phase reaction; i.e., bonds are as strong or stronger than the ceramic; and fracture tends to propagate in the metal for pure Al and near the interface in the ceramic for the alloys. There are indications that the fracture morphology depends on Mg content and therefore on plasticity in the metal

  2. Effect of ethanol-wet-bonding technique on resin–enamel bonds

    Directory of Open Access Journals (Sweden)

    Muhammet Kerim Ayar

    2014-03-01

    Conclusion: The ethanol-wet-bonding technique may increase the bond strength of commercial adhesives to enamel. The chemical composition of the adhesives can affect the bond strength of adhesives when bonding to acid-etched enamel, using the ethanol-wet-bonding technique. Some adhesive systems used in the present study may simultaneously be applied to enamel and dentin using ethanol-wet-bonding. Furthermore, deploying ethanol-wet-bonding for the tested commercial adhesives to enamel can increase the adhesion abilities of these adhesives to enamel.

  3. Understanding Bonds - Denmark

    DEFF Research Database (Denmark)

    Rimmer, Nina Røhr

    2016-01-01

    Undervisningsmateriale. A bond is a debt security, similar to an ”I Owe You document” (IOU). When you purchase a bond, you are lending money to a government, municipality, corporation, federal agency or other entity known as the issuer. In return for the loan, the issuer promises to pay you...... a specified rate of interest during the life of the bond and to repay the face value of the bond (the principal) when it “matures,” or comes due. Among the types of bonds you can choose from are: Government securities, municipal bonds, corporate bonds, mortgage and asset-backed securities, federal agency...... securities and foreign government bonds....

  4. Bony changes in cows affected with chronic fluorine poisoning caused by industrial waste

    Energy Technology Data Exchange (ETDEWEB)

    Lasarov, E; Tatarov, B; Dimitrov, G; Kantschev, L; Kovatschev, K

    1972-01-01

    Cows affected with chronic fluorine poisoning were thoroughly examined and the findings ff clinical, anatomical-pathological, x-ray, chemical and histological examinations are reported with particular reference to changes of skeletal bones. The most significant bony changes were periosteal hyperostosis on metacarpal and metatarsal bones, local resorption of the compact substance which appeared to have a sponge-like pattern, and a destructive process in the areas surrounding Havers' and Volkmann's canals. Changes of the trabecular pattern were observed in the spongy substance of the above mentioned bones. Trabeculae showed signs of atrophy - they were thinned or coarsely thickened - and their contours were well contrasted. Regularly shaped osteons were not frequently found in the spongy substance. Marked narrowing of the medullary canal was seen.

  5. Endoscopic Modified Medial Maxillectomy for Fungal Ball of the Hypoplastic Maxillary Sinus With Bony Hypertrophy.

    Science.gov (United States)

    Nomura, Kazuhiro; Ikushima, Hiroyuki; Ozawa, Daiki; Shimizu, Yuichi; Arakawa, Kazuya; Suzuki, Jun; Hidaka, Hiroshi; Katori, Yukio; Ohyama, Kenji

    2018-05-01

    Sinus fungal ball is defined as noninvasive chronic rhino-sinusitis with a clump of mold in the paranasal sinuses, typically affecting the maxillary sinus. Fairly good outcomes of endoscopic surgery have been reported where the ball is removed through the antrostomy. However, the affected sinus tends to have a smaller cavity and thicker bony walls. As such, it is often challenging to maintain a window size that is sufficient to control possible recurrence. The endoscopic modified medial maxillectomy procedure was applied to a 61-year old and a 70-year old female patient with maxillary sinus fungal ball. Using this method, we created a much larger inferior meatal antrostomy without difficulty. The window provided us with an endoscopic view of the whole sinus and complete eradication of the lesion. Endoscopic modified medial maxillectomy is useful as a surgical procedure for maxillary sinus fungal ball and should be considered for better outcomes.

  6. Reconstruction of bony facial contour deficiencies with polymethylmethacrylate implants: case report

    Directory of Open Access Journals (Sweden)

    Ruy C. C. Abdo Filho

    2011-08-01

    Full Text Available Facial trauma can be considered one of the most serious aggressions found in the medical centers due to the emotional consequences and the possibility of deformity. In craniofacial surgery, the use of autologous bone is still the first choice for reconstructing bony defects or irregularities. When there is a shortage of donor bone or a patient refuses an intracranial operation, alloplastic materials such as polymethylmethacrylate (PMMA can be used. The PMMA prosthesis can be pre-fabricated, bringing advantages such as reduction of surgical time, easy technical handling and good esthetic results. This paper describes the procedures for rehabilitating a patient with PMMA implants in the region of the face, recovering the facial contours and esthetics of the patient.

  7. The bony crescent sign - a new sign of facial nerve schwannoma

    International Nuclear Information System (INIS)

    Watts, A.; Fagan, P.

    1992-01-01

    Schwannomas are relatively uncommon intracranial tumours. They most commonly involve the acoustic nerve followed in frequency by the trigeminal nerve. Other cranial nerves are rarely involved. Facial nerve schwannomas occurring within the petrous temporal bone are very rare. Their diagnosis may be missed prospectively even when appropriate computerized tomography (CT) scans are performed. Even in retrospect the site of abnormality may be difficult to identify, especially if there is an associated middle ear mass such as a cholesteatoma. In the 4 cases presented the facial nerve schwannoma was seen on high resolution CT as a soft tissue mass bounded anteriorly by a thin rim of bone. This bony crescent sign is a previously undescribed feature of facial nerve schwannoma which appears to be strongly indicative of the presence of this tumour. Recognition of this sign makes these tumours arising in the region of the geniculate ganglion easy to diagnose prospectively. 12 refs., 6 figs

  8. Parental bonding and self-esteem as predictors of severe depressive symptoms: a 10-year follow-up study of Norwegian physicians.

    Science.gov (United States)

    Grotmol, Kjersti S; Ekeberg, Øivind; Finset, Arnstein; Gude, Tore; Moum, Torbjørn; Vaglum, Per; Tyssen, Reidar

    2010-01-01

    Elevated rates of suicide and depression among physicians have been reported. The associations between perceived parental bonding and depressive symptoms have yet to be studied longitudinally in this occupational group. In a nationwide cohort, we sought to study parental bonding as a predictor for severe depressive symptoms and to determine whether self-esteem mediates this relationship. After graduation (T1), medical students (N = 631) were followed-up after 1 (T2), 4 (T3), and 10 (T4) years. There were no gender differences in mean depressive scores. Female physicians reported higher levels of care from their mothers (p self-esteem for both sexes.

  9. Evaluation of shear bond strength with different enamel pretreatments: An in vitro study

    Directory of Open Access Journals (Sweden)

    Anila Charles

    2014-01-01

    Conclusions: The current findings indicate that enamel surface preparation using bur abrasion results in a significant higher than air abrasion; within the limitations of this study recommend bur abrasion as a viable alternative to acid etching.

  10. Human bony labyrinth is an indicator of population history and dispersal from Africa.

    Science.gov (United States)

    Ponce de León, Marcia S; Koesbardiati, Toetik; Weissmann, John David; Milella, Marco; Reyna-Blanco, Carlos S; Suwa, Gen; Kondo, Osamu; Malaspinas, Anna-Sapfo; White, Tim D; Zollikofer, Christoph P E

    2018-04-17

    The dispersal of modern humans from Africa is now well documented with genetic data that track population history, as well as gene flow between populations. Phenetic skeletal data, such as cranial and pelvic morphologies, also exhibit a dispersal-from-Africa signal, which, however, tends to be blurred by the effects of local adaptation and in vivo phenotypic plasticity, and that is often deteriorated by postmortem damage to skeletal remains. These complexities raise the question of which skeletal structures most effectively track neutral population history. The cavity system of the inner ear (the so-called bony labyrinth) is a good candidate structure for such analyses. It is already fully formed by birth, which minimizes postnatal phenotypic plasticity, and it is generally well preserved in archaeological samples. Here we use morphometric data of the bony labyrinth to show that it is a surprisingly good marker of the global dispersal of modern humans from Africa. Labyrinthine morphology tracks genetic distances and geography in accordance with an isolation-by-distance model with dispersal from Africa. Our data further indicate that the neutral-like pattern of variation is compatible with stabilizing selection on labyrinth morphology. Given the increasingly important role of the petrous bone for ancient DNA recovery from archaeological specimens, we encourage researchers to acquire 3D morphological data of the inner ear structures before any invasive sampling. Such data will constitute an important archive of phenotypic variation in present and past populations, and will permit individual-based genotype-phenotype comparisons. Copyright © 2018 the Author(s). Published by PNAS.

  11. SOCIAL BONDING: REGULATION BY NEUROPEPTIDES

    Directory of Open Access Journals (Sweden)

    Claudia eLieberwirth

    2014-06-01

    Full Text Available Affiliative social relationships (e.g., among spouses, family members, and friends play an essential role in human society. These relationships affect psychological, physiological, and behavioral functions. As positive and enduring bonds are critical for the overall well-being of humans, it is not surprising that considerable effort has been made to study the neurobiological mechanisms that underlie social bonding behaviors. The present review details the involvement of the nonapeptides, oxytocin (OT and arginine vasopressin (AVP, in the regulation of social bonding in mammals including humans. In particular, we will discuss the role of OT and AVP in the formation of social bonds between partners of a mating pair as well as between parents and their offspring. Furthermore, the role of OT and AVP in the formation of interpersonal bonding involving trust is also discussed.

  12. Wire bonding in microelectronics

    CERN Document Server

    Harman, George G

    2010-01-01

    Wire Bonding in Microelectronics, Third Edition, has been thoroughly revised to help you meet the challenges of today's small-scale and fine-pitch microelectronics. This authoritative guide covers every aspect of designing, manufacturing, and evaluating wire bonds engineered with cutting-edge techniques. In addition to gaining a full grasp of bonding technology, you'll learn how to create reliable bonds at exceedingly high yields, test wire bonds, solve common bonding problems, implement molecular cleaning methods, and much more. Coverage includes: Ultrasonic bonding systems and technologies, including high-frequency systems Bonding wire metallurgy and characteristics, including copper wire Wire bond testing Gold-aluminum intermetallic compounds and other interface reactions Gold and nickel-based bond pad plating materials and problems Cleaning to improve bondability and reliability Mechanical problems in wire bonding High-yield, fine-pitch, specialized-looping, soft-substrate, and extreme-temperature wire bo...

  13. Substituent effif ects on hydrogen bonding in Watson-Crick base pairs. A theoretical study

    NARCIS (Netherlands)

    Fonseca Guerra, C.; van der Wijst, T.; Bickelhaupt, F.M.

    2005-01-01

    We have theoretically analyzed Watson-Crick AT and GC base pairs in which purine C8 and/or pyrimidine C6 positions carry a substituent X = H, F, Cl or Br, using the generalized gradient approximation (GGA) of density functional theory at BP86/TZ2P. The purpose is to study the effects on structure

  14. Theoretical study of C-C bond formation in the methanol to gasoline process

    NARCIS (Netherlands)

    Blaszkowski, S.R.; Santen, van R.A.

    1997-01-01

    Density functional theory is used to study one of the most successful routes to the production of synthetic fuels, the conversion of methanol to gasoline (MTG process) with an acidic zeolite. With our calculations we have determined transition states and adsorption complexes of reactants,

  15. A study of inter-particle bonds in dry bauxite waste resulting in atmospheric aerosols

    Science.gov (United States)

    Wagh, Arun S.; Thompson, Bentley

    1988-02-01

    Bauxite and Alumina production are one of the main activities of several third world countries such as Jamaica, Brazil, India, Guinea, eastern European countries such as Hungary and Rumania and advanced countries such as Australia, West Germany, Japan and the United States. The mining operations lead to dust pollution, but the refining of bauxite to alumina yield large amounts of highly caustic sludge waste, called "Red Mud". Millions of tons of the waste produced in every country are stored in containment dams or natural valleys. This leads to ground water pollution, destruction of plant and bird life and is hazardous to human settlement in earthquake prone regions like Jamaica. As a result several companies have been looking into dry mud stacking which involves thickening the mud in the refining plants and sprying it on the slopes to sun dry it. Typically it involves a drying field of about two hundred acres, which could act as a potential source of caustic dust. In Jamaica one company has started disposing of the mud in this way. The aerosol formation from such areas depends mainly on the integrity of the top dry layers. Presently this is done by studying the approximate parameters such as the friability of the mud. However, following the recent advances in powder technology it has been possible for us to develop an instrument to