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Selected AbstractsIctal Pattern of EEG and Muscular Activation in Symptomatic Infantile Spasms: A Videopolygraphic and Computer AnalysisEPILEPSIA, Issue 12 2002Francesca Bisulli Summary: ,Purpose: To investigate ictal muscular phenomena characterizing symptomatic infantile spasms (ISs) and their relation to ictal EEG. Methods: Four children with severe encephalopathy, neurologic impairment, and refractory ISs related to different dysplastic lesions, underwent videopolygraphic recordings collecting surface electromyogram (EMG) activity from several cranial and limb muscles to evaluate the pattern of muscular recruitment, duration, and side-to-side asymmetry of ISs. Acquired data were stored for off-line analysis by a computerized polygraphic system. Results: Spasms were characterized by a complex pattern of muscular activation. A constant or rostrocaudal propagation pattern was lacking in all patients. Intervals between the onset of EMG activity in different muscles in each spasm were very long: ,100,200 ms. Two patients, with hemispheric cortical dysplasia and agenesis of the corpus callosum, had asymmetric and asynchronous spasms in which the EMG onset of the muscles contralateral to the affected hemisphere constantly anticipated that of the ipsilateral ones. Backaveraging of EEG activity disclosed a high-amplitude EEG complex on the same side as the dysplastic lesion, preceding or succeeding the contralateral muscle activity onset. In the other two patients with diffuse cortical dysplasia, no EEG transient was related to EMG activity onset. Conclusions: Despite clinical similarity between spasms in the same patient, our data demonstrate the complexity and heterogeneity of these motor phenomena. Our findings cannot be explained simply in terms of cortical or reticular generators like other motor phenomena such as cortical myoclonus or startle reflex. [source] Clinician stance in the treatment of chronic eating disordersEUROPEAN EATING DISORDERS REVIEW, Issue 6 2001Josie Geller Abstract Long-term outcome studies of anorexia nervosa have shown that a significant number of individuals do not fully recover from their eating disorder symptoms. Individuals who develop chronic eating disorders may express either strong ambivalence about symptom reduction or a complete lack of interest in change. As a result, clinicians can find this group particularly challenging. This report expands upon a treatment stance based on principles of Motivational Interviewing that addresses difficulties typically encountered in working with this population. The stance outlines a mission statement and specific clinician behaviours that promote engagement and alliance with this group, including the communication of beliefs that foster client self-acceptance, not making assumptions, being curious, active, and on the same side, and maximizing client responsibility for change. Copyright © 2001 John Wiley & Sons, Ltd and Eating Disorders Association. [source] Synthesis and Molecular Structures of Nickel(II) and Cobalt(III) Complexes with 2-(Arylimino)-3-(hydroxyimino)butaneEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 14 2003Ennio Zangrando Abstract We report new series of NiII and CoIII complexes with nitrogen-donor chelating ligands of the (E,E)-2-(arylimino)-3-(hydroxyimino)butane type (Ar,N,N,OH). These ligands are characterized by a hydrophilic (OH group) and a hydrophobic region (aryl group). NiII derivatives were obtained either as trimers of formula [Ni3(Ar,N,N,OH)3Br4(OH)][Br], with the hydrophobic groups oriented on the same side, or as bis(chelated) derivatives with cis geometry, depending on the steric hindrance of the aryl groups. CoIII complexes were obtained only as bis(chelated) derivatives, with the two ligands coplanar. The "iso -oriented" arrangement of ligands in bis(chelated) CoIII complexes is favored by weak interactions between the two ligands, namely O,H···O hydrogen bond and stacking interactions between the aryl groups. CoIII complexes might find application as catalysts for living or controlled radical polymerization of polar olefins, and preliminary results are reported. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003) [source] Synthesis and Conformation Analysis of New Perphosphorylated Calix[4]resorcinarenesEUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Issue 23 2004Vera I. Maslennikova Abstract The octaphosphorylation of calix[4]resorcinarenes 1 by 2-dialkylamino-1,3,2-diheterophosphorinanes 2 is described, and the effect of different factors on the structures of the resulting perphosphorylated products 3,5 was studied. Conformation analysis of these compounds by correlated 2D NMR spectroscopy and X-ray diffraction analysis was performed, and it was found that compounds 3,5, like the initial resorcinarenes 1, each have the all - cis configuration of the R groups in the methylidene bridges of the calixarene system, but different orientations of benzene rings and phosphorinane fragments with respect to one another and to the macrocycle plane. Perphosphorylated resorcinarenes 3a,c, 4a and 5a with R = alkyl exist in flattened cone conformations with the phosphorinane fragments on the same side of the macrocycle plane. The conformations of the perphosphorylated resorcinarenes 3d, 4b and 5b with R = Ph change to forms intermediate between flattened cone and 1,3 - alternate. The phosphorus fragments in these compounds are located on opposite sides of the macrocycle plane. It was shown that the oxidation and sulfurisation of phosphocalixarenes 3 proceed without any change in the spatial organisation of the macrocyclic system. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004) [source] An efficient synthesis and crystal structure of novel 1-oxo-2-propyl-4-(substituted)phenylimino-1,2,3,4,5,6,7,8-octahydro[1,4,3]thiazaphosphorino[4,3- a][1,3,2]benzodiazaphosphorine 3-oxides,HETEROATOM CHEMISTRY, Issue 7 2002Junmin Huang A series of 1-oxo-2-propyl-4-(substituted)phenylimino-1,2,3,4,5,6,7,8-octahydro-[1,4,3]thiazaphosphorino[4,3-a][1,3,2]benzodiazaphosphorine 3-oxides (5a,g) has been synthesized in excellent yields via the reaction of 1-(2-bromoethyl)-2,3-dihydro-3-propyl-1,3,2-benzodiazaphosphorin-4(1H)-one 2-oxide with (substituted) phenyl isothiocyanates, which contain the proximate imino and phosphoryl groups in the fused heterocycle. The structures of all of the new compounds were confirmed by spectroscopic methods and microanalyses. The results from X-ray crystallography analysis of 5a showed that the proximate imino and phosphoryl groups are not coplanar due to their being jointly located in the fused heterocycle, thus having ring tension, and this then destroys the conjugation between the CN and the PO moieties. As a result, the length of the PC bond, measured as 1.8285(18) Å, is just the same as that of a PC bond not involved in conjugation (1.80,1.85 Å). Also, the C(1), C(2), S(1), C(3), P(1), and N(2) atoms of the [1,4,3]thiazaphosphorino moiety exist preferably in the boat conformation. The coplanar C(1), N(2), C(3), and S(1) atoms, within an average deviation of 0.0564 Å, form the ground floor of the boat conformation, whereas, the P(1) and C(2) atoms are on the same side of the coplanar structure with the distance of 0.7729 Å and 0.7621 Å, respectively. On the other hand, around the CN double bond, the P(1)C(3) bond and the N(1)C(11) bond are in a trans relationship because of the repulsive action of the n-propyl group in the 2-position of the title compound. © 2002 Wiley Periodicals, Inc. Heteroatom Chem 13:599,610, 2002; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.10041 [source] Chiral discrimination in hydrogen-bonded complexes of 2-methylol oxirane with hydrogen peroxideINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 5 2009Guiqiu Zhang Abstract A systematic quantum chemical study reveals the effects of chirality on the intermolecular interactions between two chiral molecules bound by hydrogen bonds. The methods used are second-order Møller,Plesset perturbation theory (MP2) with the 6-311++g(d,p) basis set. Complexes via the OH···O hydrogen bond formed between the chiral 2-methylol oxirane (S) and chiral HOOH (P and M) molecules have been investigated, which lead to four diastereomeric complexes. The nomenclature of the complexes used in this article is enantiomeric configuration sign corresponding to English letters. Such as: sm, sp. The relative positions of the methylol group and the hydrogen peroxide are designated as syn (same side) and anti (opposite side). The largest chirodiastaltic energy was ,Echir = ,1.329 kcal mol,1 [9% of the counterpoise correct average binding energy De(corr)] between the sm-syn and sp-anti in favor of sm-syn. The largest diastereofacial energy was ,1.428 kcal mol,1 between sm-syn and sm-anti in favor of sm-syn. To take into account solvents effect, the polarizable continuum model (PCM) method has been used to evaluate the chirodiastaltic energies, and diastereofacial energies of the 2-methylol oxirane···HOOH complexes. The chiral 2,3-dimethylol oxirane (S, S) is C2 symmetry which offers two identical faces. Hence, the chirodiastaltic energy is identical to the diastereomeric energy, and is ,Echir = 0.563 kcal mol,1 or 5.3% of the De(corr) in favor of s,s-p. The optimized structures, interaction energies, and chirodiastaltic energies for various isomers were estimated. The harmonic frequencies, IR intensities, rotational constants, and dipole moments were also reported. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009 [source] Reaction mechanisms between methylamine and a few Schiff bases: Ab initio potential energy surfaces of a catalytic step in semicarbazide sensitive amino oxidases (SSAO)INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 6 2001Giuliano Alagona Abstract The potential energy surfaces for the transamination reaction catalyzed by SSAO were explored for some of the possible reactants considered in a preliminary investigation (Comput Chem 2000, 24, 311). The proton transfer to methylamine (as a model of the catalytic base belonging to the enzyme active site),either from the keto or enol form of the reactant Schiff bases with one of the possible cofactors, pyridoxal phosphate, PLP (using as a model the pyridoxal ring protonated at N),was investigated. The enol form seems to be preferred in the region of the neutral intermediate, because even the keto form undergoes a spontaneous rearrangement to the enol form once the C, proton is delivered to methylamine, producing methylammonium. When the proton is returned back to the Schiff base (on C1), the adduct is about 1.4 kcal/mol more stable than the reactants, while a canonical electron distribution is obtainable only for the enol form. The proton transfer to methylamine was also studied in the presence of the other possible cofactor (para or ortho) topaquinone, TQ. A steep uphill pathway, similar to the keto-pyridoxal Schiff base one, is obtained using the Schiff base with pTQ, which requires a rearrangement to the final intermediate. On the contrary, using the oTQ structures with the quinonoid O on the same side of methylamine, the proton abstracted from the Schiff base goes spontaneously onto the other quinonoid oxygen. The effect on the barrier heights produced by the presence of a variety of functional groups in the vicinity of the pyridoxal ring nitrogen was also examined. © 2001 John Wiley & Sons, Inc. Int J Quant Chem, 2001 [source] Atrial Morphology in Hearts with Congenitally Corrected Transposition of the Great Arteries: Implications for the InterventionistJOURNAL OF CARDIOVASCULAR ELECTROPHYSIOLOGY, Issue 2 2002RAJNISH JUNEJA M.D. Atrial Morphology in Congenitally Corrected Transposition.Introduction: In view of the possible need for septal puncture to ablate left-sided lesions and the occasional difficulty in coronary sinus (CS) cannulation, we investigated relevant anatomic features in the right atrium of hearts with congenitally corrected transposition of the great arteries (ccTGA). Methods and Results: Nine hearts with ccTGA and an intact atrial septum and eight weight-matched normal hearts were examined by studying the "septal" aspect of the right atrium with reference to the oval fossa (OF). The anterior margin was arbitrarily measured as the shortest distance from the OF to the superior mitral/tricuspid annulus. The posterior margin was measured from the OF to the posterior-most edge of the right atrial "septal" surface. The total "septal" surface width was measured at the middle of the OF. The stretched OF dimensions and CS isthmus length were noted. Mann-Whitney test was used to compare absolute and indexed dimensions, i.e.. normalized to total width. The posterior margin in hearts with ccTGA was shorter than in controls (6.3 ± 2.4 mm vs 11 ± 1.9 mm, P < 0.001; normalized margin P = 0.09). The CS isthmus also was significantly shorter (5.3 ± 2.7 mm vs 11.4 ± 2.2 mm, P < 0.001). In two hearts with ccTGA, the CS opening into the right atrium was on the same side of the eustachian valve as the inferior caval vein. Conclusion: The shorter posterior "septal" margin in hearts with ccTGA may increase the risk of exiting the heart while performing septal puncture when pointing the needle posteriorly. The shorter CS isthmus and the abnormal location of the CS opening in some of these hearts are important when contemplating radiofrequency ablation in this area. [source] One should avoid central venous cannulation on the same side as a functioning forearm arteriovenous haemodialysis fistulaACTA ANAESTHESIOLOGICA SCANDINAVICA, Issue 3 2008R. Pandey No abstract is available for this article. [source] Simultaneous occurrence of linear scleroderma and homolateral segmental vitiligoJOURNAL OF THE EUROPEAN ACADEMY OF DERMATOLOGY & VENEREOLOGY, Issue 1 2006C Bonifati Abstract Localized scleroderma and vitiligo only rarely have been reported to occur simultaneously. Here we report a case of a 21 year old man affected with both linear scleroderma of the left upper limb and homolateral segmental vitiligo of the trunk. Since the two diseases appeared during the same period, involved the same side of the body and their progression paralleled, a possible non-coincidental association between these two diseases is discussed. [source] For the Sake of the Team: Unity and Disunity in a Multiparty Major League Baseball NegotiationNEGOTIATION JOURNAL, Issue 3 2005Larry Crump "Divide and conquer" is a well-known expression although the literature on distributive negotiation offers little theory in support of this technique. This article develops theory to explain increases or decreases in unity and disunity among negotiation groups comprising multiple parties in organizational settings. Specifically, this study analyzes the negotiations surrounding the purchase of the Seattle Mariners baseball team in 1992 by a group that included Japanese investors. The study identifies reframing as a technique that can be used strategically to create disunity between cooperating parties on the same side in a negotiation. This article also develops a theory about techniques that can enhance unity between cooperating parties and can protect against disunity that may be generated by the opposition. Dividing and unifying techniques are both components of a larger negotiation theory that seeks to evaluate actions designed to affect the degree of unity between parties working together in distributive settings. [source] Opening an Occluded Subclavian Vein with a Screw-Like Flexible Hollow Guide-wire and VenoplastyPACING AND CLINICAL ELECTROPHYSIOLOGY, Issue 10 2007SETH JOSEPH WORLEY M.D. Patients with existing internal cardioverter defibrillators (ICDs) often require upgrading to a biventricular ICD for treatment of congestive heart failure (CHF). Placement of a left ventricular (LV) lead can be technically challenging in the best of circumstances. A subclavian vein stenosis or occlusion related to previously placed leads adds a major obstacle to a successful implant. We report a technique of implanting an LV lead from the same side as the existing ICD system despite complete occlusion of the subclavian vein. [source] First principles total energy calculations of the adsorption of single Cl2 and Br2 molecules on the Si(001)-c(2 × 4) surfacePHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 2 2003Noboru Takeuchi Abstract We have performed first principles total energy calculations to investigate the adsorption of Cl2 and Br2 molecules on the Si(001)-c(2 × 4) surface. First of all, our results indicate that the adsorption of Cl2 and Br2 as molecules is not energetically favorable. Instead, Cl2 (Br2) dissociates into two Cl (Br) subunits. The most stable geometry was achieved when each Cl (Br) subunit is bonded to a Si atom of the same Si dimer along the dangling bonds. Three other geometries were considered in our study: the first one corresponds to adsorption of the two subunits on Si dimer sites in adjacent silicon dimer rows. The second corresponds to adsorption of the two Cl (Br) subunits along dangling bonds of two consecutive dimers of the same Si dimer row, with the two Cl(Br) atoms in the same side of the Si dimer row. The third one is similar to the second, but the ad-atoms are now in a staggered arrangement, occupying sites in opposite sides of the Si dimer row. These are adsorption configurations that have been observed experimentally for Cl2 on Si(001). Our results indicate that energetics and atomic geometries are similar for Cl2 and Br2. We have also calculated energy barriers for the ad-atom to move along and across the Si dimer rows. It is found that the barriers for Br are smaller than the barriers for Cl. This result can explain the differences observed in the adsorption of Cl2 and Br2 molecules. [source] Correlated Trading and ReturnsTHE JOURNAL OF FINANCE, Issue 2 2008DANIEL DORN ABSTRACT A German broker's clients place similar speculative trades and therefore tend to be on the same side of the market in a given stock during a given day, week, month, and quarter. Aggregate liquidity effects, short sale constraints, the systematic execution of limit orders (coordinated through price movements) or the correlated trading of other investors who pick off retail limit orders do not fully explain why retail investors trade similarly. Correlated market orders lead returns, presumably due to persistent speculative price pressure. Correlated limit orders also predict subsequent returns, consistent with executed limit orders being compensated for accommodating liquidity demands. [source] Laryngeal Amyloidosis in 10 Patients,THE LARYNGOSCOPE, Issue 10 2004Herbert H. Dedo MD Abstract Objectives: Review the location, symptoms, treatment, and outcomes in 10 consecutive laryngeal amyloid (LA) patients. Study Design: Pre and retrospective evaluation after treatment. Methods: Analysis of visual and phonatory pathology and detailed description of surgery. Results: Amyloid on the undersurface of both true vocal cords (TVCs) was found in two cases, uni- or bilaterally submucosally in the false vocal cords (FVCs) in eight cases, extending down into the lateral TVC in four cases, or on the undersurface of the TVCs as well in one case. The chief complaint was hoarseness and not shortness of breath. The amyloid was resected with a CO2 laser by way of microdirect laryngoscopy (MDL) on one side at a time to try to prevent anterior commissure scarring. Removal of most of the FVC improved the voice, but removal of the whole FVC to the inner thyroid perichondrium was found to be necessary to avoid recurrence from supraglottic deposits. Removal of at least 2 mm of the upper edge of a 3 to 4 mm thick submucosal deposit to the thyroarytenoid (TA) muscle along with the overlying mucosa on at least one side was necessary to improve hoarseness when amyloid was present on the undersurface of both TVCs. Partial regrowth occurred in a few months to years after partial removal. Seven patients had had one to seven prior removals. Any hard amyloid in the lateral TVC (floor of ventricle) as an inferior extension from FVC amyloid needed to be at least partially removed to avoid hoarseness from a convex vocal cord. The voice improved postoperatively in all patients. Follow-up after the first operation was 6 months to 16 years, with an average of 6.5 years. Four FVC patients required re-excision on the same side after the first operation, but none has required a third removal as of yet. [source] Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)- O,O,-dibenzoyltartaric acidACTA CRYSTALLOGRAPHICA SECTION B, Issue 3 2001Urszula Rychlewska The compounds analysed are the O,O,-dibenzoyl derivatives of (R,R)-tartaric acid, asymmetrically substituted by ester, amide and nitrile groups. Benzoylation does not introduce drastic changes to the molecular conformation. All investigated molecules adopt the planar T conformation of the four-carbon chain with noticeably smaller departures from the ideal conformation than observed in the nonbenzoylated analogs. Primary and secondary amides always orient the C=O bond antiperiplanar (a) with respect to the nearest C*,O bond, while methylester groups adjust their conformation to that adopted by the amide substituent situated at the other end of the molecule. Tertiary amides and carboxyl groups place their carbonyls at the same side as the nearest C*,O bond (the s form), but often deviations from coplanarity of the two bonds are significant and higher than those observed in the nonbenzoylated series. The results presented demonstrate the importance of dipole/dipole interactions between CO and ,C*H groups in stabilizing the molecular conformation, and between carbonyl groups in stabilizing crystal packing of the molecules that lack classical hydrogen-bond donor groups. An illustration is provided as to how a small change in mutual orientation of molecules arranged in a close-packed fashion causes a change in the character of intermolecular interactions from van der Waals to sandwich stacking between the benzoyloxy phenyls, and to dipolar between the benzoyloxy carbonyls. Hydrogen-bonded molecules tend to orient in a head-to-tail mode; the head-to-head arrangement being limited to cases in which terminal carbonyl groups are situated at one side of the molecule. The orientation of the benzoyloxy substituents with respect to the carbon main chain is such that the (O=)C,O,C,H bond system often deviates significantly from planarity. [source] Anomeric effect and hydrogen-bonded supramolecular motif in 5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thioneACTA CRYSTALLOGRAPHICA SECTION C, Issue 11 2009Zhenfeng Zhang In the title compound, C18H20F2N4O2S, the triazinane-2-thione ring adopts an envelope conformation, the ring substituents lie on the same side of the mean plane of the heterocyclic ring and the exo lp,N,C,Ntriaz unit (lp is a lone pair and triaz is the triazinane ring) exhibits an antiperiplanar orientation, which is shown to be governed by strong anomeric effects. Molecules are linked into a complex three-dimensional framework by a combination of two N,H...S hydrogen bonds, three C,H...F hydrogen bonds and a ,,, stacking interaction. [source] Halide salts of antimigraine agents eletriptan and naratriptanACTA CRYSTALLOGRAPHICA SECTION C, Issue 12 2008K. Ravikumar Molecules of eletriptan hydrobromide monohydrate (systematic name: (1S,2R)-1-methyl-2-{5-[2-(phenylsulfonyl)ethyl]-1H -indol-3-ylmethyl}pyrrolidinium bromide monohydrate), C22H27N2O2S+·Br,·H2O, (I), and naratriptan hydrochloride (systematic name: 1-methyl-4-{5-[2-(methylsulfamoyl)ethyl]-1H -indol-3-yl}piperidinium chloride), C17H26N3O2S+·Cl,, (II), adopt conformations similar to other triptans. The C-2 and C-5 substituents of the indole ring, both of which are in a region of conformational flexibility, are found to be oriented on either side of the indole ring plane in (I), whilst they are on the same side in (II). The N atom in the C-2 side chain is protonated in both structures and is involved in the hydrogen-bonding networks. In (I), the water molecules create helical hydrogen-bonded chains along the c axis. In (II), the hydrogen bonding of the chloride ions results in macrocyclic R42(20) and R42(24) ring motifs that form sheets in the bc plane. This structural analysis provides an insight into the molecular structure,activity relationships within this class of compound, which is of use for drug development. [source] Octasubstituted biphenylenes: is there a favoured conformation?ACTA CRYSTALLOGRAPHICA SECTION C, Issue 7 2007Peter J. Steel Octakis(pyrazol-1-ylmethyl)biphenylene ethanol solvate, C44H40N16·C2H6O, has two independent centrosymmetric molecules, one of which is hydrogen bonded to the solvent molecule. One molecule adopts an arrangement with three arms up and one down in each benzene ring, whilst the other molecule has a conformation with two adjacent arms on the same side of the ring. In neither case is the expected fully alternating form observed. [source] {4,10-Bis[2-(2-oxidobenzylideneamino-,2N,O)benzyl]-1,7-dioxa-4,10-diazacyclododecane-,4O1,N4,O3,N10}ytterbium(III) perchlorate acetonitrile solvateACTA CRYSTALLOGRAPHICA SECTION C, Issue 8 2006Marina González-Lorenzo In the crystal structure of the title compound, [Yb(C36H38N4O4)]ClO4·CH3CN, the ytterbium ion is eight-coordinated and deeply buried in the cavity of the dianionic Schiff base ligand. The coordination polyhedron may be described as a distorted square antiprism that shows a twist angle of 29.5,(1)° between the two square planes. The receptor adopts a syn arrangement, with both pendent arms on the same side of the crown group, and there are two helicities (one associated with this layout of the pendent arms and the other with the conformation of the crown ring), which give rise to enantiomeric pairs of diastereoisomers, viz. ,(,,,,) and ,(,,,,). [source] Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexateACTA CRYSTALLOGRAPHICA SECTION D, Issue 7 2009Olga Senkovich The flagellate protozoan parasite Trypanosoma cruzi is the pathogenic agent of Chagas disease (also called American trypanosomiasis), which causes approximately 50,000 deaths annually. The disease is endemic in South and Central America. The parasite is usually transmitted by a blood-feeding insect vector, but can also be transmitted via blood transfusion. In the chronic form, Chagas disease causes severe damage to the heart and other organs. There is no satisfactory treatment for chronic Chagas disease and no vaccine is available. There is an urgent need for the development of chemotherapeutic agents for the treatment of T. cruzi infection and therefore for the identification of potential drug targets. The dihydrofolate reductase activity of T. cruzi, which is expressed as part of a bifunctional enzyme, dihydrofolate reductase,thymidylate synthase (DHFR-TS), is a potential target for drug development. In order to gain a detailed understanding of the structure,function relationship of T. cruzi DHFR, the three-dimensional structure of this protein in complex with various ligands is being studied. Here, the crystal structures of T. cruzi DHFR-TS with three different compositions of the DHFR domain are reported: the folate-free state, the complex with the lipophilic antifolate trimetrexate (TMQ) and the complex with the classical antifolate methotrexate (MTX). These structures reveal that the enzyme is a homodimer with substantial interactions between the two TS domains of neighboring subunits. In contrast to the enzymes from Cryptosporidium hominis and Plasmodium falciparum, the DHFR and TS active sites of T. cruzi lie on the same side of the monomer. As in other parasitic DHFR-TS proteins, the N-terminal extension of the T. cruzi enzyme is involved in extensive interactions between the two domains. The DHFR active site of the T. cruzi enzyme shows subtle differences compared with its human counterpart. These differences may be exploited for the development of antifolate-based therapeutic agents for the treatment of T. cruzi infection. [source] Treatment of instent restenosis following stent-supported renal artery angioplastyCATHETERIZATION AND CARDIOVASCULAR INTERVENTIONS, Issue 3 2007Thomas Zeller MD Abstract Objectives: We prospectively studied the long-term outcome of endovascular treatment of instent renal artery stenosis (IRAS). Background: Restenosis is a considerable drawback of stent-supported angioplasty of renal artery stenosis especially in small vessel diameters. The appropriate treatment strategy is not yet defined. Patients and Methods: During a 10-year period 56 consecutive patients (65 lesions) with their first IRAS were included in a prospective follow-up program (mean follow-up 53 ± 25 months, range 6,102). Primary endpoint of the study was the reoccurrence of IRAS (, 70%) after primarily successful treatment of the first IRAS determined by duplex ultrasound. Results: Primary success rate was 100%, no major complication occurred. Nineteen lesions were treated with plain balloon angioplasty (group 1, 30%), 42 lesions with stent-in-stent placement (group 2, 65%) using various bare metal balloon expandable stents, and 4 lesions with drug-eluting stent angioplasty (group 3, 6%). During follow-up, overall 21 lesions (32%) developed reoccurrence of IRAS: n = 7/19 in group 1 (37%), n = 14/42 in group 2 (33%), and n = 0/4 in group 3 (0%; P = 0.573). Reoccurrence of IRAS was more likely to occur in smaller vessel diameters than in larger ones [3,4mm: 4/7 (57%); 5 mm: 11/26 (42%); 6 mm: 5/25 (20%); 7 mm: 1/7 (14%), P = 0.088]. Multivariable analysis found bilateral IRAS and IRAS of both renal arteries of the same side in case of multiple ipsilateral renal arteries as independent predictors for reoccurrence of IRAS. Conclusion: Treatment of IRAS is feasible and safe. The data demonstrate a nonsignificant trend towards lower restenosis with restenting of IRAS versus balloon angioplasty of IRAS. Individual factors influence the likelihood of reoccurrence of IRAS. © 2007 Wiley-Liss, Inc. [source] Guanidinium Alkynesulfonates with Single-Layer Stacking Motif: Interlayer Hydrogen Bonding Between Sulfonate Anions Changes the Orientation of the Organosulfonate R Group from "Alternate Side" to "Same Side"CHEMISTRY - A EUROPEAN JOURNAL, Issue 8 2010Karim Bouchmella Abstract Hydrolyses of HCCSO3SiMe3 (1) and CH3CCSO3SiMe3 (2) lead to the formation of acetylenic sulfonic acids HCCSO3H,2.33,H2O (3) and CH3CCSO3H,1.88,H2O (4). These acids were reacted with guanidinium carbonate to yield [+C(NH2)3][HCCSO3,] (5) and [+C(NH2)3][CH3CCSO3,] (6). Compounds 1,6 were characterized by spectroscopic methods, and the X-ray crystal structures of the guanidinium salts were determined. The X-ray results of 5 show that the guanidinium cations and organosulfonate anions associate into 1D ribbons through (8) dimer interactions, whereas association of these ions in 6 is achieved through (8) and (6) interactions. The ribbons in 5 associate into 2D sheets through (8) dimer interactions and (12) rings, whereas those in 6 are connected through (6) and (8) dimer interactions and (14) rings. Compound 6 exhibits a single-layer stacking motif similar to that found in guanidinium alkane- and arenesulfonates, that is, the alkynyl groups alternate orientation from one ribbon to the next. The stacking motif in 5 is also single-layer, but due to interlayer hydrogen bonding between sulfonate anions, the alkynyl groups of each sheet all point to the same side of the sheet. [source] Synthesis and Preferred All- syn Conformation of C3 -Symmetrical N -(Hetero)arylmethyl TriindolesCHEMISTRY - A EUROPEAN JOURNAL, Issue 28 2008Abstract A new series of C3 -symmetrical N -(hetero)arylmethyl triindoles has been synthesized in a straightforward procedure. The structure and conformation in the solid state have been determined for three derivatives (3, 4, and 6) by X-ray crystallographic analysis. In all three cases, the molecules adopt a tripodal conformation with all of the flexible arms directed towards the same side, thereby delimiting an inner cavity. Compound 6 crystallizes and forms C3 -symmetric dimeric cagelike complexes. Guest molecules of chloroform and water are confined within the resulting cavities with stabilization by different intermolecular interactions; this highlights the potential of these compounds in the construction of supramolecular systems. A computational analysis has been performed to predict the most stable conformers. As a general trend, a preference for a conformation with all branches directed to the same side has been predicted. Comparison between theoretical and experimental results indicates that the computational level selected for the present study, B3LYP/6-31G*, is able to reproduce both the minimum energy conformations and the rotation barriers about the NCH2 bond. [source] Association of rudimentary sacral zygapophyseal facets and accessory and ligamentous articulations: Implications for load transmission at the L5-S1 junctionCLINICAL ANATOMY, Issue 6 2010Niladri Kumar Mahato Abstract Weight transmitted from the fifth lumbar vertebrae to the sacrum is distributed as three separate components between (a) the vertebral bodies anteriorly, (b) the transverse elements intermediately, and (c) the lumbosacral facet joints, posteriorly. The posterior components of the fifth lumbar vertebra share greater proportion of load in comparison with the posterior elements of the upper lumbar vertebral levels. This study focuses on rudimentary lumbosacral facet articulations and their possible effects on load sharing at this region. Twenty sacra bearing rudimentary articulations were collected for analysis. Sixteen of these sacra presented unilateral rudimentary facets, and the remaining four had facets that were bilaterally rudimentary. Thirteen of the sacra with unilateral rudimentary facets showed an accessory articulating area on the upper surface of the ala on the same side as the rudimentary zygapophyseal facet. The remaining three sacra (out of the 16) showed evidence of strong ligamentous attachments between the L5 and S1 transverse elements on the sides of the rudimentary facets. All the sacra with bilateral rudimentary facets demonstrated bilateral accessory L5,S1 articulations. These observations indicated that load transmission at lumbosacral junctions bearing a rudimentary facet joint is not normal and that their associations with strong L5,S1 lumbosacral ligamentous attachments or accessory articulations at the transverse elements serve a compensatory mechanism for load sharing. Clin. Anat. 23:707,711, 2010. © 2010 Wiley-Liss, Inc. [source] Shape, height, and location of the lingula for sagittal ramus osteotomy in ThaisCLINICAL ANATOMY, Issue 7 2009P. Jansisyanont Abstract This study aims to investigate the shape, height, and location of the lingula in relation to surrounding structures for sagittal ramus osteotomy. Dried Thai mandibles were studied and compared with other races. From both sides of 92 mandibles, the shape of the lingula was classified into triangular, truncated, nodular, or assimilated types. Of 92 mandibles, 146 sides with at least a premolar and a molar on the same side were selected for distance measurement. Height of the lingula was measured from the lingular tip to the mandibular foramen. The location was determined by five distances from the lingular tip to: the anterior and the posterior borders of the mandibular ramus, the mandibular notch, the distal surface of the mandibular second molar, and the occlusal plane. The results showed that truncated lingulae were most frequently found (46.2%) and most appeared to be bilateral (71.7%). Triangular, nodular, and assimilated shapes presented in 29.9%, 19.6%, and 4.3%, respectively. The mean lingular height was 8.2 ± 2.3 mm. The lingula was located at 20.6 ± 3.5 mm from the anterior border of the mandibular ramus and 16.6 ± 2.9 mm from the mandibular notch. In the majority of the mandibles studied, the lingula was located above the occlusal plane. In conclusion, the shape and metric characteristics of the lingula in relation to surrounding structures in Thais vary from other races. All parameters associated with the lingula should be considered for sagittal ramus osteotomy to avoid intraoperative complications. Clin. Anat. 22:787,793, 2009. © 2009 Wiley-Liss, Inc. [source] | ||||||||||||||||||||||||||||