Relevant bibliographies by topics / Bond rotation

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Bond rotation'

Author: Grafiati
Published: 4 June 2021
Last updated: 1 February 2022

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Journal articles on the topic "Bond rotation"

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Schaefer, Ted, Christian Beaulieu, and Rudy Sebastian. "2-Phenyladamantane as a model for axial phenylcyclohexane. 1H NMR and molecular orbital studies of motion about the Csp2—Csp3 bond." Canadian Journal of Chemistry 69, no. 3 (March 1, 1991): 503–8. http://dx.doi.org/10.1139/v91-075.

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The 1H NMR spectra of the aromatic groups of 2-phenylcyclohexane and 2-phenyladamantane, in CS2/C6D12 solution at 300 K, are analyzed to yield the long-range coupling constants between the α and ring protons. The coupling over six bonds is related to the internal rotational potential about the Csp2—Csp3 bond in these molecules. It is confirmed that the equatorial isomer of phenylcyclohexane has the parallel conformer, that in which the aromatic plane lies in the symmetry plane bisecting the cyclohexane moiety, as the most stable. The apparent twofold barrier to rotation about the exocyclic carbon–carbon bond follows as 7.1 kJ/mol from the six-bond coupling constant. For 2-phenyladamantane, the six-bond coupling constant strongly implies that the perpendicular conformer, perhaps slightly skewed, is that of lowest energy and that the apparent twofold barrier to rotation about the Csp2—Csp3 bond is about 7.5 kJ/mol. Insofar as 2-phenyladamantane mimics axial phenylcyclohexane, these results confirm recent conclusions about the conformation of the latter and provide evidence for its internal mobility. Geometry-optimized AMI and STO-3G MO computations are reported for the internal motion in both isomers of phenylcyclohexane. The former agree best with experiment for the equatorial isomer, but both imply a significant fourfold, of opposite sign to the twofold, component of the internal rotational potential. For the axial isomer, the two sets of computations find a skewed perpendicular conformer as most stable, in rough agreement with force-field results. However, the barrier to rotation about the Csp2—Csp3 bond is computed as small and AMI has the parallel conformer as more stable than the perpendicular. Key words: 2-phenyladamantane, 1H NMR and internal rotation; phenylcyclohexane, 1H NMR and internal rotation; MO computations, 2-phenyladamantane and phenylcyclohexane.
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Jalili, Seifollah, Farzad Molani, and Jeremy Schofield. "First principles study on energetic, structural, and electronic properties of defective g-C3N4-zz3 nanotubes." Journal of Theoretical and Computational Chemistry 13, no. 04 (June 2014): 1450021. http://dx.doi.org/10.1142/s0219633614500217.

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The energetic, electronic and structural properties of defective g- C 3 N 4-zz3 nanotubes are considered based on spin-polarized density-functional theory calculations. Nine basic system types with vacancy defects are characterized by their stabilization energies and band gaps. It is found that the nitrogen atom denoted as N 3 is the most favorable atom for a vacancy defect. In all cases, local bond reconstruction occurs in the presence of vacancy defects. The role of C / N bond rotations on the above properties has been also investigated. The results show that N 1– C 3 bond rotation is the most favorable rotational defect. In addition, the electronic properties of the semiconducting g- C 3 N 4-zz3 nanotube with defects have been studied using band structure and density of states plots.
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Pérez-Torrente, Jesús J., Marta Angoy, Daniel Gómez-Bautista, Adrián Palacios, M. Victoria Jiménez, F. Javier Modrego, Ricardo Castarlenas, Fernando J. Lahoz, and Luis A. Oro. "Synthesis and dynamic behaviour of zwitterionic [M(η6-C6H5-BPh3)(coe)2] (M = Rh, Ir) cyclooctene complexes." Dalton Trans. 43, no. 39 (2014): 14778–86. http://dx.doi.org/10.1039/c4dt02105c.

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Hong, Jung-Ho, Adil S. Aslam, Min-Sung Ko, Jonghoon Choi, Yunho Lee, and Dong-Gyu Cho. "Bond Rotation in an Aromatic Carbaporphyrin: Allyliporphyrin." Chemistry - A European Journal 24, no. 40 (June 19, 2018): 10054–58. http://dx.doi.org/10.1002/chem.201802176.

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Snyder, James P., Neysa Nevins, Sylvie L. Tardif, and David N. Harpp. "Inherently Hindered Rotation about a Disulfide Bond." Journal of the American Chemical Society 119, no. 51 (December 1997): 12685–86. http://dx.doi.org/10.1021/ja9728536.

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Zhu, Qi-zhi, and Tao Ni. "Peridynamic formulations enriched with bond rotation effects." International Journal of Engineering Science 121 (December 2017): 118–29. http://dx.doi.org/10.1016/j.ijengsci.2017.09.004.

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LI, GUOPING, WEIREN XU, CHAOJUN ZHANG, JIANWU WANG, and CHENGBU LIU. "THEORETICAL STUDY ON THE INTERNAL ROTATION OF NITROTYL OF BENZALDOXIMES." Journal of Theoretical and Computational Chemistry 05, no. 01 (March 2006): 111–20. http://dx.doi.org/10.1142/s0219633606002088.

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The internal rotations of nitrotyl around the bond C–C in Z- and E-benzaldoximes and their various substituted species have been investigated theoretically by the method of density functional theory (DFT) at the B3LYP/6-31G* level. The corresponding rotation transition states have been optimized. The potential barriers and the rates of the internal rotations of various species have been calculated. The rotation barrier of Z-benzaldoxime is lower than that of E-isomer. The para-substitution has only a small influence on the rotation barriers. The conjugations are consolidated in the acidic and basic species of both Z- and E-isomers. The experimental NMR spectrums of Z- and E-benzaldoxime are explained based on the calculation results.
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Ullah, Rooh, Muhammad Fahim, and Muhammad Nouman. "Joint Shear Deformation and Beam Rotation in RC Beam-Column Eccentric Connections." Civil Engineering Journal 7, no. 2 (February 1, 2021): 236–52. http://dx.doi.org/10.28991/cej-2021-03091650.

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This paper discusses joint shear deformation and beam rotation for RC beam-column eccentric connections. Two eccentric connections were designed according to ACI 318-14 and ACI-352 and their half scaled models were constructed sequentially to introduce a cold joint at the beam column interface. Specimen having eccentricity equal to bc/8 (12.5% of column width) and bc/4 (25% of column width) were named as specimen 1 and specimen 2 respectively. The specimens were tested under quasi static full cyclic loading. The results are presented in the form of beam rotation versus drift and beam rotation versus lateral load plots. In addition, joint shear deformation versus drift is also plotted for both specimens. Careful observation of the damage pattern revealed that bond slip occurred at 2.5% drift in both specimens with no yielding of beam longitudinal bars in the joint core due to the presence of construction joint. An increase in out of plane rotation was observed with increase in eccentricity. However, in plane rotation was more in specimen 1 as compared to specimen 2, primarily due to negligible out of plane rotations. Furthermore, joint shear deformation increased with increase in eccentricity. However, it was negligible due to slab contribution as well as bond slippage with minimum load transfer to the joint core. It is concluded that bond slippage is the principal failure pattern whereas out of plan rotation increases with eccentricity without significant contribution to the final failure pattern. Doi: 10.28991/cej-2021-03091650 Full Text: PDF
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Colebrook, Lawrence D. "A molecular mechanics study of conformational isomerism in 1- and 3-aryl hydantoins and 3-aryl-2-thiohydantoins." Canadian Journal of Chemistry 69, no. 12 (December 1, 1991): 1957–63. http://dx.doi.org/10.1139/v91-281.

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Energy profiles for internal rotation about the C—N pivot bond in a series of 1- and 3-aryl hydantoins and 3-aryl-2-thiohydantoins have been computed using the MMX molecular mechanics force field. Rotational ground and transition states have been identified and their energies calculated. Conformational preferences of diastereomeric rotamers have been investigated. Computed rotational energy barriers generally are within ± 2 kcal/mol of the experimentally determined values. Key words: conformational isomerism, hindered rotation, hydantoins, thiohydantoins, molecular mechanics.
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Look, Kai, and Robert K. Norris. "Formation by SRN1 Reactions and 1H N.M.R. Properties of Sterically Encumbered 2,4,6-Trialkylphenyl p-Nitrobenzyl Sulfides." Australian Journal of Chemistry 52, no. 11 (1999): 1077. http://dx.doi.org/10.1071/ch99080.

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Sterically hindered p-nitrobenzylic chlorides (1) and (2) react with the sodium salts of 2,4,6-trialkylbenzenethiols (3a)–(5a) by the SRN1 reaction to give good yields of the corresponding p-nitrobenzylic aryl sulfides (6)–(10). For example, the reaction of sodium 2,4,6-triisopropylbenzenethiolate (4b) with α-t-butyl-a-methyl-p-nitrobenzyl chloride (2) gives the sulfide (10) in over 80% yield after 2 h at room temperature in Me2SO. Only in reactions involving 2,4,6-tri-t-butylbenzenethiol (5a) are low yields or failed reactions encountered. Qualitative examination of the dynamic nuclear magnetic resonance spectra of the sulfides prepared in these reactions shows that up to three restricted rotational phenomena can be identified. These are rotation about the benzylic-carbon to p-nitrophenyl ring bond, rotation about the sulfur to aromatic ring bond, and rotation about the bond joining the t-butyl group to the benzylic carbon. The last phenomenon produces, in the sulfide (9), the relatively rare and unusual situation wherein the t-butyl group appears as three distinct methyl resonances at low temperatures.
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Dissertations / Theses on the topic "Bond rotation"

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Leitner, Dietmar A. "Dynamic NMR Study of Bond Rotational Activation Parameters in Micelles." PDXScholar, 1992. https://pdxscholar.library.pdx.edu/open_access_etds/4603.

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The behavior of surfactants in solution has been and still is of scientific, technological, and industrial interest. The micelle forming compounds sodium N( octyloxycarbonyl)sarcosinate (NaOcSarc), and sodium N-(decyloxycarbonyl)sarcosinate (NaDecSarc) show in aqueous solution two lH NMR N-methyl peaks arising from a possible cis- or trans-conformation. The relative population of the N-methyl peaks depends mostly on the concentration of surfactant indicating micelle formation. Upon heating the two peaks start to coalesce and finally appear as one single peak . The temperature range in which this phenomenon occurs is from 25°C to 65°C. The primary interest of this study was to determine the activation parameters of rotation about the carbonyl-nitrogen (C-N) bond. Dynamic nuclear magnetic resonance spectroscopy was employed to approach this problem. A complete bandshape analysis was performed in order to calculate the free energy (G++), enthalpy (H++), and entropy (S++) of activation. The effect of a different counter ion (Li+) and sodium chloride salt addition were tested for possible changes of the activation parameters. Studies in nonaqeous solvents were conducted with the free acid form of the mentioned carbarnates. Dimethylsulfoxide and chloroform were chosen as organic solvents for these particular experiments. The critical micellar concentrations of all surfactants were determined, and the assignment of the individual N-methyl peaks to the correspondend conformation could be unambiguously shown by a two dimensional NMR experiment. The cmc's show strong salt dependence. The effect of a lithium as an alternative counter ion has a less drastic effect. Micellization seems not to occur in the free acid cases. Interestingly, the surfactants show stronger salt dependence than micellization dependence upon the activation parameters, indicating that solvent exposure occurs at the C-N partial double bond and considerable deformation of the ideal spherical shape.
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Lin, Ying. "Progress toward synthetic molecular motors : directed single bond rotation in a prototypical biaryl lactone system /." view abstract or download file of text, 2007. http://proquest.umi.com/pqdweb?did=1324377621&sid=1&Fmt=2&clientId=11238&RQT=309&VName=PQD.

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Thesis (Ph. D.)--University of Oregon, 2007.
Typescript. Includes vita and abstract. Includes bibliographical references (leaves 109-124). Also available for download via the World Wide Web; free to University of Oregon users.
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Dahl, Bartholomew James. "The design and synthesis of prototypical artificial molecular motors : studies of directed bond rotation in chiral biaryls /." view abstract or download file of text, 2007. http://proquest.umi.com/pqdweb?did=1288652831&sid=3&Fmt=2&clientId=11238&RQT=309&VName=PQD.

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Thesis (Ph. D.)--University of Oregon, 2007.
Typescript. Includes vita and abstract. Includes bibliographical references (leaves 151-165). Also available for download via the World Wide Web; free to University of Oregon users.
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Rattananakin, Pornpun. "Ab initio study of the rotation around the carbon-carbon double bond in push-pull systems." Diss., Mississippi State : Mississippi State University, 2006. http://sun.library.msstate.edu/ETD-db/ETD-browse/browse.

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Clements, Joseph Shelby II. "Synthesis of Insecticidal Mono- and Diacylhydrazines for Disruption of K+ Voltage-Gated Channels, and Elucidation of Regiochemistry and Conformational Isomerism by NMR Spectroscopy and Computation." Diss., Virginia Tech, 2017. http://hdl.handle.net/10919/77918.

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Based on the success of diacyl-tert-butylhydrazines RH-5849 and RH-1266 in controlling agricultural crop pests, we endeavored to synthesize our own diacylbenzyl- and arylhydrazine derivatives for use against the malaria vector Anopheles gambiae. In the process of producing a library of compounds for assay against An. gambiae, it became clear that employing regioselective acylation techniques (in molecules that feature two nucleophilic, acyclic nitrogen atoms α to one another) would be imperative. Synthesis of the library derivatives proceeded rapidly and after topical assay, we found three compounds that were more toxic than the RH-series leads. One of the three displayed an LD50 value of half that of RH-1266, though patch clamp assay concluded that toxicity was not necessarily linked to inhibition of mosquito K+ channel Kv2.1. The acylation of monoarylhydrazines appears simple, but its regioselectivity is poorly understood when assumed as a function of basicity correlating to nucleophilic strength. We determined the ratio of the rate constants for distal to proximal N-acylation using 19F NMR spectroscopic analysis of reactions of 4-fluorophenylhydrazine with limiting (0.2 equiv) acylating agent in the presence of various bases. Acid anhydrides gave consistent preference for distal acylation. The selectivity of acylation by acyl chlorides when using pyridine gives strong distal preference, whereas use of triethylamine or aqueous base in conjunction with aroyl chlorides showed a moderate preference for proximal acylation. This observation yielded a convenient one-step method to synthesize proximal aroylarylhydrazines in yields comparable or superior to that provided by the standard three-step literature approach. Combined with NMR evidence of the distal nitrogen as the unambigiously stronger base of the two nitrogens, we propose a single electron transfer mechanism that predicts the regiochemistry of arylhydrazines toward acylating agents better than the nucleophilicity model based on pKa values. While synthesizing the acylhydrazine library for assay against An. gambiae, NMR spectroscopy revealed rotational isomerisms of two types: chiral helicity (M)/(P) and acyl (E)/(Z)-isomerism due to hindered rotation. Variable temperature NMR allowed the measurement of N-N bond rotational barriers, as well as estimate the barrier of (E)/(Z) interconversion. We obtained the X-ray crystal structures of four diacylhydrazines to test this hypothesis and revealed both the twist conformation around the N-N bond axis and (E)/(Z)-isomerism around the proximal acyl group. Computation (which agreed with the crystal structures) allowed us to estimate which (E)/(Z)-isomers were most likely being observed in solution at room temperature by NMR spectroscopy. In addition, we were able to calculate transition structures corresponding to N-N bond rotational barriers of (E,Z)- and (Z,Z)-isomers of model molecules and rationalize the difference in coalescence temperatures between (E,Z)- and (Z,Z)-isomers.
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Evans, Christopher Martyn. "Rotational spectroscopy of weakly bound pre-reactive complexes." Thesis, University of Exeter, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.264588.

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Cooke, Stephen Anthony. "The 'halogen' bond : investigations of the rotational spectra of Lewis bases with dihalogens." Thesis, University of Exeter, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.302559.

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Altieri, Andrea. "Hydrogen bond directed synthesis of novel benzylic amide[2]rotaxane : design and realization of rotational and translational hydrogen bond molecular machines." Thesis, University of Edinburgh, 2004. http://hdl.handle.net/1842/11969.

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The aim of my PhD is to study rotaxanes. This study is intended to contribute to the understanding of rotaxanes and to provide some insights into the possibilities of their application, and is divided in two parts accordingly. In the first part of my thesis I develop and analyze new hydrogen-bond templates that contain phosphorus and can be used to improve the existing rotaxane formation processes and to synthesize new rotaxanes. The second part of my research is based on the fact that the form of rotaxanes restricts the macrocycle movements to two options only: rotational and translational movement. Thus, in the second part I focus on improving the potential practical application of rotaxanes and on developing and implementing rotational and translational molecular machines, whereby a rotational machine is critical for creating and implementing a translational machine. In the course of this work two different types of a molecular machine (a molecular accelerator and a molecular shuttle) have been created. The results achieved demonstrate that hydrogen bond-based templates containing phosphorus can be used to template the rotaxane formation, and that both movements of macrocycle, translational and rotational, can indeed be used to improve the molecular machines.
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Brydges, Stacey McGlinchey Michael J. "The search for correlated rotation in sterically hindered, multi-n-bladed carbon(n)argon(n)(x+/-) (n = 5, 6 and 7) propellers: from models to molecules /." *McMaster only, 2003.

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Suckley, Andrew Paul. "High resolution rotational and vibrational spectroscopy of weakly bound dimers." Thesis, University of Exeter, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.293989.

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Books on the topic "Bond rotation"

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Naqui, Zaf, and David Warwick. Bone and joint injuries of the wrist and forearm. Oxford University Press, 2018. http://dx.doi.org/10.1093/med/9780198757689.003.0004.

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The forearm is a complex quadrilateral structure linked by the proximal and distal radioulnar joints, ligaments, which include the interosseous membrane and triangular cartilage, and several obliquely orientated muscles. A displaced fracture or ligament rupture within this forearm is likely to involve other structures. Treatment requires anatomic recovery of stable function. The ulnar corner can sustain fractures or ligament ruptures which affect stable, pain-free, congruous forearm rotation. The distal radius may fracture after high- or low-energy trauma; anatomic reduction may not be essential in all; inaccuracy may lead to loss of rotation and ulnocarpal abutment but long-term arthritis is unusual. Children’s fractures are managed with consideration of remodeling potential. The scaphoid is vulnerable to non-union; plaster immobilization, early percutaneous fixation, and later bone-grafting all have roles. Salvage for osteoarthritic non-union may reduce pain but compromises function. Rupture of the carpal ligaments may cause substantial disruption and require complex reconstruction.
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Collins, Philip G. Defects and disorder in carbon nanotubes. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533053.013.2.

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This article examines the physical consequences of defects and disorder in carbon nanotubes (CNTs). It begins with a pedagogical categorization of the types of defects and disorder found in CNTs, including lattice vacancies and bond rotations, and goes on to discuss considers two primary sources of disorder: the environment surrounding a CNT and the substrate supporting it. It then considers various experimental methods for locating defects in CNTs, including atomic-resolution scanning tunnelling microscopy, transmission electron microscopy, electrochemical and chemoselective labelling, optical spectroscopy, and electrical conductance. The article concludes with a review of the long-range consequences of defects and disorder on the physical properties of CNTs such as chemical reactivity, electrical transport, and mechanical effects.
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Nguyen, Kim-Phuong, and Chris D. Glover. Anesthetic Considerations for Scoliosis Repair. Edited by Erin S. Williams, Olutoyin A. Olutoye, Catherine P. Seipel, and Titilopemi A. O. Aina. Oxford University Press, 2018. http://dx.doi.org/10.1093/med/9780190678333.003.0032.

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Scoliosis is an anatomical deformity caused by a lateral and rotational shift in the thoracolumbar spine. Surgical correction involves wide exposure of the spine for placement of stabilizing rods and can result in significant complications from excessive blood loss and neurologic impairments. These procedures require vigilance to acid-base status, hemodynamic fluctuations, coagulation, temperature maintenance, and neurologic monitoring from anesthesiologists. Other major anesthetic considerations discussed include maintaining the integrity of perfusion to the spinal cord, positioning concerns, optimal technique for neuromonitoring, and pain control in the perioperative period. This chapter presents a case study of a 14-year-old girl with adolescent idiopathic scoliosis who presents for posterior spinal instrumentation and fusion from T4-L4 with autologous bone graft.
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Scott, B. W., and P. A. Templeton. Tibial and ankle fractures in children. Oxford University Press, 2011. http://dx.doi.org/10.1093/med/9780199550647.003.014010.

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♦ After forearm and digital injuries, tibial and ankle fractures are the commonest fractures in the immature skeleton and the majority of these involve the diaphysis or ankle♦ Compared to the morbidity seen in adults these are relatively forgiving injuries in children as the healing rate of bone and soft tissues is rapid and remodelling will occur♦ It is wise, however, to guard against overconfidence in the remodelling potential of certain injuries; for example, angulated mid-diaphyseal fractures, rotational malalignment, and metaphyseal fractures within 2 years of skeletal maturity♦ Children will tolerate manipulative/cast treatment better than adults as the duration of treatment is usually shorter and rapid rehabilitation is almost the norm with or without physiotherapy♦ Postfracture overgrowth does occur but is less than that following femoral fractures and seldom clinically significant (over 10mm)♦ Isolated fibular fractures are of minor importance but need to be taken into account in managing complex injuries involving the distal tibia♦ It is convenient to discuss injuries according to three anatomical sections: proximal, diaphyseal, and distal.
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Book chapters on the topic "Bond rotation"

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Scott, L. Ridgway, and Ariel Fernández. "Peptide Bond Rotation." In A Mathematical Approach to Protein Biophysics, 205–12. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-66032-5_14.

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Jaeger, Martin, Kaywan Izadpanah, and Norbert P. Südkamp. "Rotator Cuff Tears." In Bone and Joint Injuries, 1–11. Berlin, Heidelberg: Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-38388-5_1.

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Allert, Jesse W., and Mark A. Frankle. "Adding a Bone Graft to Reverse TSA." In Rotator Cuff Injuries, 253–61. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-63668-9_16.

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Lowe, John P. "Barriers to Internal Rotation About Single Bonds." In Progress in Physical Organic Chemistry, 1–80. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470171851.ch1.

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Tuite, Michael J., and Christian W. A. Pfirrmann. "Shoulder: Instability." In IDKD Springer Series, 1–9. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-71281-5_1.

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AbstractGlenohumeral instability is the inability to keep the humeral head centered in the glenoid fossa. Glenohumeral instability can be classified according to etiology and direction of instability. The glenoid labrum, the glenohumeral ligaments, and the bony structures contribute to the stability glenohumeral joint and need to be addressed with imaging. One of the difficulties with accurately diagnosing labral tears on MR imaging is the normal labral variants, which can sometimes appear similar to tears. The location and extent of a Hill-Sachs lesion and glenoid rim defects need to be related to recognize engaging Hill-Sachs lesions or off-track situations. There are several types of labral tears that are not associated with a prior dislocation. SLAP tears are one of the more common tears of the labrum and can sometimes be difficult to distinguish from a normal variant superior sublabral recess. Labral tears in overhead thrower occur in the posterosuperior labrum, adjacent to the posterior rotator cuff tears in these athletes. Tears in the posterosuperior labrum are also associated with spinoglenoid notch paralabral cysts, which can be painful and cause external rotation weakness.
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Bettens, F. L., R. P. A. Bettens, and A. Bauder. "Rotational spectroscopy of weakly bound complexes." In Jet Spectroscopy and Molecular Dynamics, 1–28. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-1314-4_1.

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Fang, Jiao, Kuangrong Hao, Xin Huang, and Yongsheng Ding. "Human Body Shape Digital Correction Based on Bone Rotation." In Advances in Intelligent and Soft Computing, 441–50. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-03718-4_55.

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Milano, Giuseppe, Maristella F. Saccomanno, and Andrea Grasso. "Cuff Tear Arthropathy with Bone Loss (Acetabular Acromion)." In Rotator Cuff Across the Life Span, 399–413. Berlin, Heidelberg: Springer Berlin Heidelberg, 2019. http://dx.doi.org/10.1007/978-3-662-58729-4_47.

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Karabatsos, Gerasimos J., and David J. Fenoglio. "Rotational Isomerism Aboutsp2-sp3Carbon-Carbon Single Bonds." In Topics in Stereochemistry, 167–203. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470147146.ch4.

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Saccomanno, Maristella F., Alessandra Scaini, and Giuseppe Milano. "Management of Bone Loss in Rotator Cuff Tear Arthropathy." In Massive and Irreparable Rotator Cuff Tears, 315–28. Berlin, Heidelberg: Springer Berlin Heidelberg, 2020. http://dx.doi.org/10.1007/978-3-662-61162-3_34.

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Conference papers on the topic "Bond rotation"

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Frieiro-Gomis, Pablo, Adolfo Fernández-Figueiras, Paula Polo-Ces, Francisco Reigosa-Chamorro, María Teresa Pereira, and José Manuel Vila. "Rotation of a double C=N bond driven by palladium." In The 21st International Electronic Conference on Synthetic Organic Chemistry. Basel, Switzerland: MDPI, 2017. http://dx.doi.org/10.3390/ecsoc-21-04775.

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SHAKIROVA, E. I., and V. V. KUZNETSOV. "COMPUTER SIMULATION OF INTERNAL ROTATION AROUND B-N BOND IN AMINOBORANE." In Проблемы и вопросы современной науки. Научно-Издательский Центр Международной Объединенной Академии Наук (НИЦ МОАН), 2018. http://dx.doi.org/10.18411/pivsn-22.

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SHAKIROVA, E. I., and V. V. KUZNETSOV. "AMINOBORANE IN FULLERENE C60: COMPUTER SIMULATION OF INTERNAL ROTATION AROUND B-N BOND." In Проблемы и вопросы современной науки. Научно-Издательский Центр Международной Объединенной Академии Наук (НИЦ МОАН), 2018. http://dx.doi.org/10.18411/pivsn-23.

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Vaz, Anand, and Shinichi Hirai. "Application of Vector Bond Graphs to the Modeling of a Class of Hand Prostheses." In ASME 7th Biennial Conference on Engineering Systems Design and Analysis. ASMEDC, 2004. http://dx.doi.org/10.1115/esda2004-58249.

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Vector bond graphs have been systematically applied to the modeling of prosthesis for a partially impaired hand. The partial impairment considered covers a category of the hand that has lost one or more fingers but retains the ability of its remaining natural fingers. The fingers and their prosthetic extensions are considered as rigid links. Rotation matrices which specify orientation of finger links are obtained from respective angular velocities. String-tube mechanism used to actuate prosthetic joints is modeled with the connection to joint variables of the mechanism. The vector bond graph approach enables the modeling of three dimensional movement of the hand mechanism. An example of a two joint string-tube actuated prosthetic mechanism is presented to describe the construction of the vector bond graph model. Systematic derivation of dynamics from the vector bond graphs is shown. The approach based on vector bond graphs presented here is useful for simulations and control systems design of such biomechanical systems.
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Nzoutchoua, Degaul Nana, Carl R. Johnson, Armelle Boukoulou Mounguele, Chibuzor Onyia, Giovanni Rizza, Giuliano Sinibaldi, and Elpidio Gravante. "Mud-Sealing Cement System Delivers Notable Cement Bond Log Result in a Challenging Offshore Horizontal 4 ½-in Liner: A New Technology Case Study." In SPE/IADC Middle East Drilling Technology Conference and Exhibition. SPE, 2021. http://dx.doi.org/10.2118/202200-ms.

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Abstract A 1575m [4922-ft] offshore horizontal 4-½-in. liner cemented using a mud-sealing cement system (MSCS) resulted in an outstanding cement bond log result. The decision to use the MSCS was taken after realizing that four offset liners, previously cemented using conventional cement systems, did not yield acceptable cement bond log results despite following oil and gas cementing industry best practices, including pipe rotation. This paper documents a comparison of six offset horizontal liners, focusing on the impact of the MSCS technology. The paper focuses on several 4-½-in. liners in the same field. The wells were drilled by a similar rig and had similar well profiles. The drilling bit, directional drilling tool, drilling fluids system, logging tool, centralizer type and pumping sequences were comparable across all wells. In addition, the logging company performing the cement bond log evaluation was not the same company performing the cementing service. After the first MSCS-cemented well, the subsequent well used a conventional cement system to isolate the 4-½-in. liner and tighten the cementing best practices. This was initiated to irrefutably confirm the impact of MSCS technology on the quality of cement bond log recorded on the earlier well. The cement bond log recorded from the well isolated with MSCS is easily identified among the six comparison wells even though the cementing operation faced several well challenges, includinga single dart liner system implementation (for all liners), which can promote the intermixing of slurry with fluid ahead while travelling down the pipemud losses in the drilling phase, which resulted in a reduction of the displacement rate to control ECD during cement placement. The bond log results of the other wells were qualified as poor or fair, even though significant precautions were taken to optimize zonal isolation. These efforts included batch mixing the spacer and slurry, using more than one centralizer per casing joint, and implementing pipe rotation during pre-job circulation and job execution when the torque limit allowed. This multi-well comparison based on field results brings solid evidence of the MSCS technology interacting with the residual layer of nonaqueous fluid (NAF) when well conditions reach or exceed the practical normative limitations for mud removal. This in-situ interaction generates a viscous paste that positively impacts the bond log response and bolsters the isolation between zones of interest. The result has yielded a step forward in the provision of a dedicated barrier technology for horizontal or highly deviated sections.
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Singh, Prem, Dharmpal Deepak, and Gurinder Singh Brar. "Optimization of Friction Crush Welding of Two Dissimilar Metals: Aluminium 6061 T-6 and Stainless Steel AISI 304." In ASME 2020 15th International Manufacturing Science and Engineering Conference. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/msec2020-8208.

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Abstract In order to cater increasing need of lightweight and strong structures to be used in various industries like ship manufacturing, railways transportation, vehicle body cell etc., efforts have been made to develop and assess various welding or joining techniques. Dissimilar metal welding offers promising solution in this direction due to modification of properties by combining two dissimilar metals in terms of mechanical properties and better corrosion or electrical properties with lesser specific weight. Stainless steel of grade AISI 304 is widely used for manufacturing application in different industries and aluminum alloy 6061 T-6 has gaining importance in welding due to its high corrosive resistance and high weldability properties. In the present work, welding of dissimilar metals i.e. Aluminium 6061 T-6 and Stainless Steel – AISI 304 was carried out with new welding technique i.e. Friction Crush Welding (FCW). Dissimilar welds prepared at different levels of tool rotation and feed rate were characterized in terms of bond strength. Taguchi L9 Design of Experiments (DOE) was used to find optimal process parameters for dissimilar FCW. The theoretical optimum bond strength calculated using Taguchi L9 was 5134.53 N at tool rotation of 740 rpm and feed rate of 45 mm/mim. The theoretical optimum value was in line with the experimental results.
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Duan, Shanzhong, and Andrew Ries. "An Efficient O(N) Algorithm for Computer Simulation of Rigid Body Molecular Dynamics." In ASME 2007 International Mechanical Engineering Congress and Exposition. ASMEDC, 2007. http://dx.doi.org/10.1115/imece2007-42032.

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Molecular dynamics is effective for a nano-scale phenomenon analysis. There are two major computational costs associated with computer simulation of atomistic molecular dynamics. They are calculation of the interaction forces and formation/solution of equations of motion. In this paper, an O(N) (order N) procedure is presented for calculation of the interaction forces and formation/solution of equations of motion. For computational costs associated with potentials or interaction forces, an internal coordinate method is used. Use of the internal coordinate method makes application of multi-rigid body molecular dynamics to an atomistic molecular system become possible. The algorithm based on the method makes the calculation considerably more practical for large-scale problems encountered in molecular dynamics such as conformation dynamics of polymers. For computational costs associated with formation/solution of equations of motion, Kane method and the internal coordinate method are used for recursive formation and solution of equations of motion of an atomistic molecular system. However, in computer simulation of atomistic molecular dynamics, the inclusion of lightly excited all degrees of freedom of an atom, such as inter-atomic oscillations and rotation about double bonds with high frequencies, introduces limitations to the simulation. The high frequencies of these degrees of freedom force the use of very small integration step sizes, which severely limit the time scales for the atomic molecular simulation over long periods of time. To improve this, holonomic constraints such as strictly constant bond lengths and bond angles are introduced to freeze these high frequency degrees of freedom since they have insignificant effect on long time scale processes in conformational dynamics. In this way, the procedure developed in multibody dynamics can be utilized to achieve higher computing efficiency and an O(N) computational performance can be realized for formation/solution of equations of motion.
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Imrie, Andrew, Ashikin Kamaludin, Andrew Hood, and Alistair Agnew. "An Innovative Approach to P&A Barrier Verification and Cement Plug Placement Utilising In-Situ Completion Strings: A Case Study." In International Petroleum Technology Conference. IPTC, 2021. http://dx.doi.org/10.2523/iptc-21387-ms.

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Abstract Traditional evaluation of behind-casing cement bond quality prior to cement plug placement involves removal, storage, transportation, and disposal of the tubing completion string. This paper presents an innovative approach to verifying cement bond and subsequent cement plug placement. This method involves cutting and retrieving part of the completion string and deploying acoustic logging tools into the casing, followed by using the tubing as a cement stinger. The procedure described in this paper first involves plugging and cutting the tubing, followed by partial retrieval of the completion to expose the abandonment horizon, which may be an impermeable shale or salt layer. A radial cement bond log tool is conveyed on wireline out of the tubing cut in order to evaluate the cement bond behind the exposed casing section. The existing cement sheath is assessed in accordance to a cement evaluation criteria to determine suitability as a barrier. A balanced cement plug is pumped utilising the existing completion string rather than a dedicated stinger. The permanent barrier is then verified appropriately based on satisfying key metrics in the pumping operation before hanging off the completion tubing in-hole and progressing with the rest of the abandonment programme. In the case study presented here, the tool string design considered the need to pass completion restrictions, convey through production tubing, and remain centralised with up to 50-degree deviation. Analysis of cement bond log data indicated that bond quality was good and suitable to place an internal cement plug across the abandonment horizon. This satisfied a minimum of 200-ft coverage across the zone of interest. The existing deep-set mechanical plug placed in the tubing prior to tubing cut was utilised as a base for the cement barrier. A 2,000-ft balanced cement plug was successfully set across the zone of interest. The completion tubing was used as a conduit for cement slurry placement, eliminating the usage of a dedicated work string. At the end of displacement, the tubing string was pulled out of hole safely to approximately 500-ft above the top of the cement with the help of controlled-gel progression properties incorporated in the slurry design. Due to existing completion accessories, setting a through-tubing cement plug and tubing rotation is not an option. Expandable cement was pumped to mitigate natural shrinkage and enhance post-set cement expansion to ensure a competent barrier. The cement job objectives were achieved by meeting the cementation execution criteria with no requirement to wait on cement. This provides additional time saving to the well abandonment. The discussed approach has successfully realised a significant rig-time saving of approximately two days on each well. Going forward, the methodology has effectively been applied to multiple wells across the Southern North Sea (SNS).
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Ajiboye, Damola M., and Matthew R. Maschmann. "Simulating Axial Force at the Substrate of Growing CNT Forests." In ASME 2015 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/imece2015-52013.

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A time-resolved carbon nanotube (CNT) forest synthesis model is used to examine the mechanical interactions of actively growing CNT forests. Discrete CNTs in the forest are modeled using linear elastic Euler-Bernoulli beam elements with three degrees of freedom at each node which corresponds to axial displacement, transverse displacement and rotation. The van der Waals force between adjacent CNTs is modeled as linear elastic spring elements and act to locally bond adjacent CNTs in contact. Special consideration is given to the axial forces that arise at the substrate of growing CNTs during the forest growth. While reaction forces are distributed in a spatiotemporal manner, we observe that reaction forces for the slowest growing CNTs are greatest, and in tension, while the fastest growing CNTs experience compressive reaction forces at the substrate.
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Li, Wei, Yanhui Feng, Jia Peng, and Xinxin Zhang. "Thermal Conductivity of Carbon Nanotubes With Stone-Wales Defects." In ASME 2009 Second International Conference on Micro/Nanoscale Heat and Mass Transfer. ASMEDC, 2009. http://dx.doi.org/10.1115/mnhmt2009-18063.

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Thermal conductivity of (5,5) and (3,3) carbon nanotubes with Stone-Wales (SW) defects is investigated by molecular dynamics simulation. Non-equilibrium molecular dynamics method is employed and the reactive empirical bond order potential is chosen. In the simulation, the temperature difference is given by applying the Berendsen thermostat model to each end of carbon nanotubes (CNTs). The thermal conductivity is calculated by Fourier’s equation. Different from linear temperature distribution along the tube for perfect CNTs without defects, there is temperature jump at defects for CNTs with a SW defect. The defect acts as additional phonon scattering centers and result in a local higher temperature gradient, which leads to a higher resistance to heat flow across the defect and thus a reduction in the thermal conductivity of the tube. The rotation angle of a SW defect barely influences the thermal conductivity of the tube. Probably, the thermal conductivity of CNTs with SW defects is more sensitive to the defect concentration than the defect distribution.
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Reports on the topic "Bond rotation"

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Glendenning, N. K. Absolute limit on rotation of gravitationally bound stars. Office of Scientific and Technical Information (OSTI), March 1994. http://dx.doi.org/10.2172/10148321.

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Leitner, Dietmar. Dynamic NMR Study of Bond Rotational Activation Parameters in Micelles. Portland State University Library, January 2000. http://dx.doi.org/10.15760/etd.6487.

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Simons, Jack. Modified Rotationally Adiabatic Model for Rotational Autoionization of Dipole-Bound Molecular Anions. Fort Belvoir, VA: Defense Technical Information Center, June 1989. http://dx.doi.org/10.21236/ada209851.

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