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The analysis of high-frequency 1H and 13C NMR spectra and both 1H1H homonuclear and 1H13C heteronuclear chemical shift correlation experiments indicate that N-propynlnormetazocine (NPMH+) is configurationally heterogeneous in solution, with the N-equatorial isomer being more populated than the N-axial isomer. The experimental proton–proton coupling constants measured for both diastereoisomers were in agreement with the calculated values for a chair conformation of the piperidine ring. AM1 and MM2 theoretical calculations both indicated the chair conformation as that preferred by the piperidine ring, and the N-equatorial isomer as being energetically favoured with respect to the N-axial form. The best fit of the 13C T1 relaxation time data and the related motional analysis of NPMH+ was carried out using the anisotropic model of reorientation with superimposed internal motion. The results showed an increase of the rotational anisotropy of the molecule on passing from the gas phase to the solution state.

The X-ray molecular structure of buprenorphine hydrochloride [(C29H42O4N)+Cl−] was determined. The molecule forms colourless tetragonal crystals; the space group is P412121 with eight molecules per unit cell of dimensions a = 11.507(2) A and c = 41.952(9) A. The structure was determined by direct methods and refined by the full-matrix least-squares procedure to R = 0.056 for 2251 observed reflections. The protonated buprenorphine (BPNH+) in the solid state adopts the T-shape form typical of benzomorphan compounds; the substituent group at the N atom is in the equatorial configuration and the cyclopropylmethyl side-chain is almost perpendicular to the piperidine ring. Theoretical studies of the conformations and the rotational energetics of BPNH+ were performed using both the semiquantitative MNDO and the force field (MM2) methods. The latter method predicted four low energy conformations about the N-C(21) and C(21)-C(22) bonds. Two of these were more significantly populated (59% and 30%). They may easily interconvert through only a single torsional process. The less-populated (30%) conformation was consistent with that adopted in the solid state. The MNDO method predicted different low energy conformations of the N-cyclopropylmethyl moiety. Neither method reproduced the favoured torsional angles adopted by the structurally analogous naltrexone molecule which has the opposite pharmacological profile.

The crystal and molecular structures of the nootropic agents RU-47001 ((±) 1-(4-nitrobenzenesulphonyl)-2-oxo-5-ethoxypyrrolidine) and RU-47064 ((±) 1-(4-nitrobenzenesulphonyl)-2-oxo-5-isopropyloxypyrrolidine) have been determined by X-ray analysis and their solution conformation has been investigated using 1 H NMR spectroscopy. The conformations of these molecules together with those of their analogues RU-35929 ((±) 1-benzenesulphonyl-2-oxo-5-ethoxypyrrolidine), RU-47010 ((±) 1-(3-pyridinylsulphonyl)-2-oxo-5-ethoxypyrrolidine) and RU-35965 ((±) 1-benzenesulphonyl-2-oxo-5-isopropyloxypyrrolidine) have been deduced from semi-quantitative PM3 type theoretical calculations. The main feature of all compounds consists of a common envelope conformation with C (4) at the flap of the pyrrolidinone ring in the solid, that in solution changes into the analogous, but opposite, possible puckered conformational isomer. The 5-alkoxy groups were found rather flexible in solution. Theoretical preferred conformations about NS and SC bonds were in acceptable agreement with those of the solid state. The calculated torsional energetics suggested that 1 – 5 do not undergo conformational interconversion.

Si(100) surfaces were molecularly engineered by covalent linkage of a monolayer of two stilbene-based chromophores, either 1-cyano-1-phenyl-2-[4′-(10-undecenyloxy)phenyl]-ethylene or its chlorine derivative, 1-cyano-1-(4-Cl-phenyl)-2-[4′-(10-undecenyloxy)phenyl]-ethylene. The hybrid systems have been probed by monochromatized angle-resolved X-ray photoelectron spectroscopy (AR-XPS) and atomic force microscopy (AFM) measurements. Results indicated robust covalent linkage of stilbene molecules to the functionalized substrate surfaces. AFM lithography and contact angle (CA) analysis confirmed that the adopted molecular architectures proved to be well-suited for reversible cis–trans photoswitching promoted by UV irradiation in the solid state.

The 1H (500 MHz), 13C (300 MHz) and 31P (202 MHz) NMR spectra of rac-2,3-bis(palmitoyloxy)propyl(2-trimethylarsonioethyl)phosphonate were recorded in CDCl3 (3 M) solution. Homonuclear 1H-1H and heteronuclear 13C–1H chemical shift correlation experiments (COSY) were performed. All resonances were assigned. The shifts of the arsenic-containing phosphonolipid were compared with the shifts of the N-containing phospholipids. The most significant shift differences were found for the groups directly bonded to arsenic. Spectral evidence was indicative of free rotation about the CH2 CH2 bond in the arsenocholine fragment.

The crystal and molecular structures of the cognition activators 1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) ( 1 ) and 4-hydroxymethyl-1-benzyl-pyrrolidin-2-one (WEB-1868) ( 2 ) have been determined by X-ray analysis. The conformations of the isolated molecules 1 and 2 have been deduced from AM1-type theoretical calculations. Whilst in 1 there are no hydrogen bonds, in 2 stabilization of the crystal occurs through effective inter- and intramolecular bonds. The five-membered ring in both 1 and 2 adopts an envelope conformation in the solid with C(3) at the flap displaced from the C(1), C(2), C(4), N(5) mean plane. Bond distances and angles are normal and comparable with previously known similar structures. In the crystal, the torsion angles C(1)-N(5)-C(6)-C(7) and N(5)-C(6)-C(7)-C(8) in 1 are 43.1° and 44.8°, respectively; the same torsion angles in 2 are −101° and 42°, respectively. Results of theoretical calculations correlate well with the conformation of 1 in the solid, whilst in the case of 2 these indicate that the conformation in the crystal should not be retained by the isolated molecule. The complete analysis of the very high field (600 MHz) 1 H NMR spectra of both compounds in CDCl 3 , gives results well in line with the above established conformational features.

A dipole moment analysis of ( Z )-α-phenyl-β-(2-furyl)-acrylonitrile and ( Z )-α-phenyl-β-(2-thienyl)-acrylonitrile enables rotational isomerism to be elucidated in these compounds. The electric dipole moments of ( Z )-α,β-diphenyl-acrylonitrile and ( Z )-α-(4-chlorophenyl)-β-(4′-nitrophenyl)-acrylonitrile were also measured and are discussed.

The X-ray molecular structure of naltrexone malonate [(C20H24NO4)+(C3H3O4)–] was determined. In the T-shape molecule, the D and E rings adopt a chair conformation. Ring B is enveloped (Cs). The configuration of the N-cyclopropylmethyl group is equatorial. The preferred conformations and the energetics of the conformational processes of naloxone and naltrexone, as non-protonated (NLX and NTRX) and protonated (NLXH+ and NTRXH+) species, were studied using semiempirical MO calculations of the AM-1 type. The solid-state conformations about the N-substituent groups were not retained in calculations for isolated molecules. The NTRXH+ species was more conformationally restricted than was NLXH+ about the N–C(17) and, especially, C(17)–C(18) bonds. The conformational isoenergy maps calculated for NLX and NTRX showed that the energy barriers were lower, and that the minima zones were larger and shallower with respect to the cationic species. The present findings provided some insights into the possible conformation–activity requirements for µ-pure opioid antagonists.

BACKGROUND AND OBJECTIVE The complications of 25-gauge transconjunctival sutureless vitrectomy based on the surgical indications were reviewed. PATIENTS AND METHODS Thirty-eight patients underwent 25-gauge transconjunctival sutureless vitrectomy. Indications for vitrectomy, preoperative and postoperative best-corrected visual acuity, preoperative and postoperative intraocular pressure, and any intraoperative or postoperative complications were recorded. RESULTS Complications included the need to suture a leaking sclerotomy intraoperatively in four eyes (9%), all of which involved oil removal; postoperative hypotony with choroidals in two eyes (5%); mild progression of nuclear sclerotic cataract in one eye (2% of all eyes, 4% of phakic eyes); the need to switch to 20-gauge pars plana vitrectomy in one eye (2%); corneal abrasion in one eye (2%); and retinal detachment in one eye (2%). Sclerotomy leakage and hyopotony with choroidals were only encountered in cases involving previously vitrectomized eyes, whereas none of the eyes without previous vitrectomy had leakage-related complications. CONCLUSIONS Previously vitrectomized eyes have a higher incidence of complications related to postoperative leakage, possibly due to the lack of plugging effect of peripheral vitreous on the unsutured sclerotomy. One should consider suturing any leaking sclerotomy at the conclusion of surgery involving previously vitrectomized eyes. [Ophthalmic Surg Lasers Imaging 2007;38:100-102.] AUTHORS From the Saint Louis University Eye Institute (JEA, LA); and the O’Donnell Eye Institute (LA), St. Louis, Missouri. Accepted for publication September 20, 2006.Presented at the Association for Research in Vision and Ophthalmology Annual Meeting, Fort Lauderdale, Florida, April 25-29, 2004.Sponsored in part by an unrestricted departmental grant from Research to Prevent Blindness, Inc., New York, New York. Address correspondence to Levent Akduman, MD, St. Louis University Eye Institute, 1755 South Grand Blvd., St. Louis, MO 63104.

Transgenic lettuce (Lactuca sativa L. cv. 'Cortina') lines expressing the asparagine synthetase A gene from Escherichia coli were produced to alter the plant nitrogen status and eventually enhance growth. The relative molecular abundance of water-soluble metabolites was measured by H-1 NMR in transgenic and conventional plants at early developmental stages and grown under the same conditions. NMR metabolic profiles assessed that a transgenic, line and the wild-type counterpart shared the same compounds, but it also revealed side effects on the carbon metabolism following genetic modification. Concerning the nitrogen status, the amino acid content did not vary significantly, except for glutamic acid and gamma-aminobutyric acid, which diminished in the transgenics. As for the carbon metabolism, in transgenic leaves the contents of sucrose, glucose, and fructose decreased, whereas that of inulin increased up to 30 times, accompanied by the alteration of most Krebs's cycle organic acids and the rise of tartaric acid compared to nontransformed controls. Lettuce leaf inulins consisted of short oligomeric chains made of one glucose unit bound to two/four fructose units. Inulins are beneficial for human health, and they are extracted from plants and commercialized as long-chain types, whereas the short forms are synthesized chemically. Hence, lettuce genotypes with high content of foliar short-chain inulin represent useful materials for breeding strategies and a potential source for low molecular weight inulin.

Purpose: A 64-year-old woman presenting with the complaint of ‘white stuff’ in her left eye one day after intravitreal triamcinolone injection for chronic pseudophakic cystoid macular edema after cataract extraction and anterior chamber intraocular lens implant is presented. Methods: Differential diagnosis included post-injection endophthalmitis versus ‘steroid hypopyon.’ Results: The patient was observed closely and the hypopyon cleared in four days. Three weeks after the injection, her visual acuity had improved from 20/200 to 20/70 with complete resolution of the macular edema. Conclusion: Patients having no capsular barrier presenting with hypopyon one day after IVTA may be observed closely for a few days for resolution of hypopyon prior to being treated as endophthalmitis.

A continuum spectrum of X-rays, originating from the interaction of a moderate intensity nanosecond Nd:Yag laser (1064 nm, 9 ns, 30 Hz, 900 mJ, 1011 W/cm2) with metal targets producing plasma, is investigated. The photon emission intensity is particularly high when the plasma expands in a low-pressure gas. The photon energy is measured through selective thin absorber films employed in front of the solid state detector. The temperature of the hot electrons generated from the plasma, responsible for the continuum spectrum emission, is calculated from the fit of the X-ray spectrum with a Maxwellian distribution, and it is about 1–2 keV.

We have studied local structure of the Laves phase Ce{sub 1-x}La{sub x}Ru{sub 2} superconductor by Ru K-edge extended x-ray absorption fine-structure measurements focusing on the small La concentration regime where the transition temperature T{sub c} passes through a local maximum. We find that correlated Debye-Waller factor of the Ru-Ru bonds follows T{sub c} with the varying La concentration in the system. Although, this remarkable T{sub c} correlation on the local atomic structure suggests important role of the electron-lattice interactions, the band-structure effects seem more likely the reason to drive the anomalous superconducting behavior and the T{sub c} maximum in this 4f system.

A 76-year-old white woman presented with a history of emphysema, congestive heart failure, and rheumatoid arthritis. She had previously been treated with steroid inhalers for her lung disease and with nonsteroidal agents for her arthritis. She had no history of systemic immunosuppressive therapy, except for a single dose of methotrexate that she had taken the week before presentation. She developed symptoms of bilateral eyelid redness and weeping the evening before admission and experienced general malaise with shaking chills and vomiting throughout the night. On waking the next morning, her eyelids were swollen and appeared bruised. She sought evaluation at her local hospital’s emergency department. Her eyelids progressively worsened, developing more pronounced discoloration and a bullous appearance. She was transferred to our medical center for further evaluation. On arrival to the emergency department, she was in a state of disseminated intravascular coagulation. Because she was hypotensive and in respiratory distress, pressure and ventilatory support were administered. She was admitted to the intensive care unit, and the plastic surgery admitting team consulted both dermatology and ophthalmology. On examination, she had bilateral, well-demarcated, blue-black necrotic plaques surrounding her eyes on both upper and lower eyelids (Figure 1). She had large, serosanguineous, fluid-filled bullae at the border of these plaques (Figure 2). The results of the rest of the cutaneous examination were normal, except for warmth of the right knee at the site of a well-healed surgical scar. Laboratory test results at admission were significant for a white blood cell count of 1.5 10/μL, with a left shift of 22% band cells and 52% segmented cells; a hemoglobin level of 10.0 g/dL; a hematocrit of 31%; and a platelet count of 60 10/ μL. A computed tomographic scan of the head showed pansinusitis with left preorbital and left subcutaneous facial swelling. Biopsy specimens from the right upper eyelid showed necrosis of the dermis and subcutaneous tissue with acute inflammation, vascular thrombosis, hemorrhage, bacteria, and cellular debris (Figure 3). Tissue and blood cultures were positive for group A -hemolytic streptococci. Because of the clinical presentation, bacterial culture results, and histopathologic findings in this case, the patient was diagnosed as having necrotizing fasciitis (NF). Her primary team decided on medical therapy rather than more aggressive surgical debridement because she was considered to be a high-risk surgical candidate and because the necrotic areas appeared to be clinically stable. She was empirically started on a regimen of ceftriaxone sodium (Rocephin), vancomycin hydrochloride, and metronizadole, and her therapy was subsequently changed to penicillin G and clindamycin hydrochloride. The only surgical intervention for her NF was bedside debridement of the periorbital necrotic tissue, which was performed by an oculoplastic surgeon. Her NF appeared to have stabilized, yet her hospitalization was complicated by other factors. During her hospital course, she had acute renal failure that required dialysis, atrial fibrillation, Pseudomas aeruginosa pneumonia, bleeding in the gastrointestinal tract caused by a duodenal ulcer, and septic arthritis of the right knee, of unknown etiology, which required repeated aspiration. After a month of hospitalization, she continued to require ventilatory support and therapeutic interventions to evaluate and treat her compounding illnesses. Her family decided to withdraw support and she died soon afterward. Postmortem examination revealed that her death was the result of a complicated pattern of local and systemic infection. The primary cause of death was listed as gram-negative septicemia due to bronchopneumonia.

A dissolution procedure of unreduced glutenin polymers of three wheat flour varieties (WRU 6981, Alisei 1, and Alisei 2) by sonication in the presence of SDS (sodium dodecyl sulphate), after the elimination of albumins, globulins, and gliadins, was achieved, and the molecular weight distribution of glutenin polymers obtained by this method was measured by matrix assisted laser desorption ionization–time of flight (MALDI-TOF) mass spectrometry. A structural study by CD spectroscopy at different temperatures of WRU 6981 glutenin polymer and of 1Ax1 high-Mr (relative molecular mass) glutenin subunit, which is the only high-Mr subunit contained in WRU 6981 flour, was undertaken to understand if the information obtained from the single subunit were applicable to the total polymer. CD spectroscopy also has been employed to study the glutenin polymers obtained by Alisei 1 and Alisei 2 wheat flours; Alisei 1 biotype contained 1Bx7 and 1Dx2+1Dy12 high-Mr subunits, whereas the Alisei 2 biotype contained only 1Bx7 and 1Dy12 subunits. A conformational study was undertaken by CD spectroscopy at different temperatures and in the presence of some chemical denaturant agents, such as urea and sodium dodecyl sulphate, in order to obtain information about their intrinsic stability and to verify if the 1Dx2 subunit presence determined a different structural behavior between Alisei 1 and Alisei 2 polymers. MALDI-TOF mass spectrometric experiments showed that the glutenin polymers molecular weights were in the mass range of 500,000–5,000,000. CD spectra indicated that a single conformational state did not predominate in the temperature range studied but equilibrium between two distinct conformational states existed; moreover, all the changes induced by urea and by SDS followed a multistep transition process. © 2004 Wiley Periodicals, Inc. Biopolymers, 2004

We present a complete Monte Carlo simulation of the response of a realistic model of a deep-underwater Cherenkov detector to supernova neutrinos. The various sources of noise are discussed in detail and a statistical treatment of the data is proposed based upon integration on a properly chosen time interval. The results show that the neutrino flux emitted by a supernova exploding in our galaxy can be detected from such a telescope. The possibility of retrieving information on the supernova direction from the asymmetry in the emitted Cherenkov light has been considered, showing that this approach does not allow an accurate localization of the $\ensuremath{\nu}$ source.

Starch enzymatic degradation caused by endogenous hydrolases is studied by in situ NMR spectroscopy on a set of hard and soft wheat flours. The results obtained by two different techniques (HR-MAS and (1)H NMR in solution) are analyzed in terms of a Michaelis-Menten kinetic phenomenological model taking into account the presence of endogenous enzymes and their eventual inactivation. The parameters resulting from the best fit of all experimental data to the kinetic model equations are submitted to a multivariate statistical analysis to assess the role of the oligosaccharides release in distinguishing between hard and soft wheats.

The diastereoselective synthesis of hydroxy substituted γ- and δ-lactones was accomplished following two approaches. A 5- or 6-endo cyclization promoted by electrophilic selenium reagents of α- or β-hydroxy acids and a 5- or 6-exo cyclization of hydroxy esters obtained through a diastereoselective hydroxy selenenylation reaction of α- or β-hydroxy esters. Moreover, the diastereoselective methoxy selenenylation of the above compounds was investigated showing a case in which the compound that was unreactive in the hydroxy selenenylation conditions gave, in the methoxy selenenylation conditions, the deprotected diol. The usefulness of the methoxy selenenylation procedure was proven by the preparation of a symmetric compound unsymmetrically functionalized. Yields and selectivities were found to depend on substituents (Ph or alkyl groups at the carbon atom that undergoes the nucleophilic attack), mode of cyclization, kinetic or thermodynamic control conditions. In the latter case, silica gel played an important role.

Conformational studies of 1Dx2, 1Bx7, and 1Dy12 high relative molecular mass glutenin subunits, extracted from Alisei 1 flour, are reported. Circular dichroism (CD) spectroscopy is employed to study their conformational polymorphism induced by urea and by urea in the presence of 1% sodium dodecyl sulfate (SDS). The CD spectra indicate that SDS promotes ordered structures. The addition of urea to the SDS-acetate solution of 1Dx2, 1Bx7, and 1Dy12 subunits eliminates the effect of SDS. Its addition to the acetate solution of proteins induces conformational transitions to form a poly-L-proline II-like structure. All the changes induced by urea follow a multistep transition process that is typical of proteins consisting of different domains.

The study of the ^12C(^14N,^14N)^12C reaction was performed at two energies: 28 and 35 MeV. The results were analyzed in the frame of the EFR-DWBA (Exact-Finite-Range Distorted Wave Born Approximation) assuming the simultaneous and sequential transfer of a np pair. The angular distributions, fairly reproduced in the first case, confirm the validity of the generalized BCS (Bardeen-Cooper-Schrieffer) theory to explain this behaviour. Moreover this process could be regarded as a possible Nuclear Josephson Effect.

The structure and the assembly of tris-(2,2'-dioxy-binaphthyl)cyclotriphosphazene [(+)-[NP3(O2C20H12)3], DBNP, in the solid amorphous state was studied using molecular dynamics (MD) including ad hoc quantum mechanically derived force field (FF) parameters, in combination with the energy dispersive X-ray diffraction (EDXD) technique. The atom-atom radial distribution function (RDF) curve obtained through the EDXD experiment revealed low intensity peaks not attributable to the intramolecular distances of the single molecule, but clearly featuring a low energy state of long-distance three-dimensional assembly. The radial distribution functions (RDF) were calculated for various models of DBNP submitted to theoretical MD simulations. Based on the comparison of theoretically calculated RDFs and those obtained from the EDXD experiment, the predominant structural motif of the material in the bulk was found to have DBNP molecules laid one upon the other to form tubular nanostructures. These contain eight DBNP units each (length ca. 46 A) with two and three of these units aligned in parallel and held together. The material can be represented as a bulk of tubular snake-like chains undergoing distortions with a step of eight DBNP units. The bending angles, that vary randomly, attain limited values sufficient to induce disorder and thus nonperiodic structure. The present application of MD simulations combined with EDXD data appear to be a general approach to solve for the first time otherwise intractable issues concerning structural features and assembly of molecular materials in the bulk.

Loss of function mutations in the gene encoding the cysteine protease inhibitor, cystatin B (CSTB), are responsible for the primary defect in human progressive myoclonus epilepsy (EPM1). CSTB inhibits the cathepsins B, H, L and S by tight reversible binding, but little is known regarding its localization and physiological function in the brain and the relation between the depletion of the CSTB protein and the clinical symptoms in EPM1. We have analysed the expression of mRNA and protein for CSTB in the adult rat brain using in situ hybridization and immunocytochemistry. In the control brains, the CSTB gene was differentially expressed with the highest levels in the hippocampal formation and reticular thalamic nucleus, and moderate levels in amygdala, thalamus, hypothalamus and cortical areas. Detectable levels of CSTB were found in virtually all forebrain neurons but not in glial cells. Following 40 rapidly recurring seizures evoked by hippocampal kindling stimulations, CSTB mRNA expression showed marked bilateral increases in the dentate granule cell layer, CA1 and CA4 pyramidal layers, amygdala, and piriform and parietal cortices. Maximum levels were detected at 6 or 24 h, and expression had reached control values at 1 week post-seizures. The changes of mRNA expression were accompanied by transient elevations (at 6-24 h) of CSTB protein in the same brain areas. These findings demonstrate that seizure activity leads to rapid and widespread increases of the synthesis of CSTB in forebrain neurons. We propose that the upregulation of CSTB following seizures may counteract apoptosis by binding cysteine proteases.

We report Ru K-edge extended X-ray absorption fine structure (EXAFS) measurements on the Ce1−xLaxRu2 superconducting system with variable La concentration. The correlated Debye–Waller factor of the Ru–Ru bonds follows the Tc of the system. This remarkable Tc dependence indicates the key role of local atomic displacements in the anomalous superconductivity of the system at small La concentration.

The Authors report the cases of Kawasaki disease (K.D.) observed between July 1988 and october 1991 in OO.RR.'s Pediatric Division of Foggia. The diagnosis was made according to the C.D.C.'s Atlanta diagnostic guidelines. All children were treated (whithin the first 10 days of onset of illness) with intravenous immune-globuline (500 mg/kg/die for 5 days) and with Asa and Dypiridamol for two months after they were without temperature. The patients with coronaric sequelae repeated after 4 weeks a second cycle of intravenous immuno-globuline therapy and continued Asa and Dypiridamol therapy until two months after disappearance of coronary arterial abnormalities. All patients performed ECG at 3-15-30 days and at 180-360 days from the onset of illness. A mono-bidimensional ecocardiogram was performed twice a week in the first month, bi-monthly in the next months and after 180-360 days from the onset of illness. One of the 8 children developed coronary aneurysms, which regressed echocardiographycally during the first 6 months after the acute illness. While the etiology and pathogenesis of K.D. remain incompletely understood, the clinical spectrum of the disorder and its long-term prognosis and treatment are becoming increasingly well defined. Coronary artery aneurysms developed in 15-25% of cases, with a mortality for coronary artery thrombosis of 1-2% of cases. Intravenous immuno-globuline infusion given in the early phases of the disorder reduce the incidence of coronary artery aneurysms therefore an early diagnosis is important to prevent coronary artery abnormalities.

The analysis of laser treated surfaces has relied heavily on traditional methods of microscopy. For the analysis of fine detail, scanning electron microscopy (SEM) remains the method of choice. Though the resolution of SEM is superb, the cost and time required to prepare tissue for analysis is often prohibitive. This is particularly true with respect to the analysis of laser treated tissues. In this study, scanning white light interferometry is compared with conventional SEM for analysis of ablation craters in bone. Porcine calvarial bone (cortical and otic) is machined into thin sections and treated with argon (514 nm) and KTP (Nd:YAG) (532 nm). SEM is performed on selected ablation specimens. Similar specimens are scanned using a white light interferometer, and the images are compared. While the interferometric methods lack the spatial resolution of SEM, it provides useful information on the surface contour. Detailed topographic information on the bone surface and ablation crater is obtained. This information can be used for analysis of surface texture. The interferometric methods are particularly useful for characterizing subtle surface changes. Interferometric methods of microscopy have their greatest utility in that no special preparation of tissue beyond dehydration is necessary, in contrast to SEM where gold-coating of tissue is required. Scanning white light interferometry is a simple and cost-effective alternative to SEM when quantitative structural and morphologic information is required.© (1995) COPYRIGHT SPIE--The International Society for Optical Engineering. Downloading of the abstract is permitted for personal use only.

Candida albicans is the most prevalent and pathogenic fungal infection of the urinary tract. Although fungal urinary tract infection occur less frequently than bacterial infections, their incidence has increased during the last decades. Parenteral nutrition, corticosteroids, immunosuppressive drugs and prolonged antibiotic therapy are often predisposing factors. We report a case of renal pelvic fungus balls in a 6-month old female who developed candidal infection after surgical treatment for bilateral vesico-ureteric reflux; the renal candidiasis was treated successfully with fluconazole.

A retrospective study is discussed, in which the disorder of pancreatic enzymes in hospitalized patients because of an acute infectious gastroenteritis is analyzed. Of 30 cases, 15 showed a raise in lipase levels, being over 1,000 IU in five of them. There was no associated raise in amylase levels. Patients with high lipase levels did not show more fever, leucocytosis nor disorders on the hepatic enzymes, in comparison with those patients with normal lipase levels. Mean age was slightly lower in patients with high lipase levels than in those with normal lipase. Chronic diseases are not a predisposing factor to suffer pancreatic complications in patients with gastroenteritis. There was no case with intense abdominal pain which would suggest a pancreatitis, and a raise in lipase did not modify the evolution of the gastroenteritis.

The inclusion complexes of the chiral anti-amnesic drug 3-(2-thienyl)piperazin-2-one (Tenilsetam, CAS-997) with α-, β- and γ-cyclodextrins (CDs) were studied by high resolution 1H NMR spectroscopy and molecular modelling (MACROMODEL interactive computer program). The partial inclusion of the guest from the secondary hydroxyl side of α-CD was observed in aqueous solution, as well as a deeper insertion into β-CD from the same side; no interactions were evidenced with γ-CD. Diastereoisomeric pairs were observed for both α- and β-CD inclusion complexes. ROESY experiments allowed us to detect the dipolar contacts between protons of the thiophene ring and those of the internal cavity of β-CD. The possible geometry of the complex edifice derived from experimental results was consistent with those obtained by molecular modelling. The formation of hydrogen bonds provides specific interaction sites to differentiate the diastereoisomeric intermolecular inclusion complexes in terms of conformational host–guest adaptation according to available experimental NMR data.

The crystal and molecular structures of the nootropics (±)1-benzenesulphonyl-2-oxo-5-ethoxypyrrolidine ( 1 ), (±)1-(3-pyridinylsulphonyl)-2-oxo-5-ethoxypyrrolidine ( 2 ) and (±)1-benzenesulphonyl-2-oxo-5-isopropyloxypyrrolidine ( 3 ) have been determined by X-ray analysis. The solution conformation of 1, 2 and 3 has been investigated by 1 H NMR spectroscopy. In the solid state, the main feature consists of the similar structural parameters and conformations, with the exception of the conformation adopted by the 5-ethoxy moiety which changes on passing from 1 to 2 . The solid state overall enveloped conformation of the 2-pyrrolidinone ring for the three nootropics is found to be retained in solution on the basis of NMR evidence. Comparison between calculated and experimental coupling constant values shows that one of the two possible puckered opposite conformational isomers (half-chair shapes) occurs in solution. The relative pharmacological potencies of 1, 2 and 3 cannot therefore be interpreted in terms of the different conformation features presently detectable by available experimental methods.

The motional behaviour of 5-nitro-2-(2-pyridinylthio)pyridine (NPTP) was ananlysed by 13C NMR spin-lattice relaxation times (T1). The analysis of the experimental T1 data was performed by using an analytical model to describe the overall and internal motions fo the molecule. The results showed that on exchange exists between the two ‘enantiomeric’ preferred conformations of the molecule, which therefore assumes an enhanced conformationally rigid character in the liquid phase. The motional parameters, derived by the fitting procedure of the relaxation times, showed that strong intermolecular interactions occur in the liquid phase for NPTP and that, in particular, the dipole moment of the mitropyridine ring contributes greatly in determinating the motional dynamics of NPTP.

The i.r. spectra of some ( Z )-α-( p -substituted-phenyl)-β-(5-substituted-2-thienyl)acrylonitriles have been investigated for the identification of the main absorption frequencies of cyano, ethylenic and thienyl groups. The u.v. spectra have been discussed in order to obtain further information about the chromophores responsible for the absorption.

Adsorption isotherms at 80° Cfor Direct Sky Blue FF (C.I. Direct Blue 1) on cotton in the presence of variable amounts of NaCl (2, 10, 15 and 50 g litre−1) and ethanol (v/v) (0, 5, 10, 20, 30, 40, 50, 60%) were measured. The Langmuir equation has been used to describe the equilibrium except for the measurements obtained at 15 g litre−1 of NaCl and 50 % and 60 % of ethanol, and at 50 g litre−1 of NaCl and 20 % of ethanol for which the distribution law was followed. The saturation values increased markedly with the salt concentration. The concentration of ethanol influenced the adsorption in two ways; one was a depressing action and the other an accelerating action. The increasing concentration of ethanol decreased the degree of association of the dye and the adsorption was Langmuir type; at 15glitre−1 ofNaCl and 50% and 60% ofethanol,and 50 g litre −1 of NaCl and 20% of ethanol the degree of association of the dye increased and the adsorption was distribution type.

Mass spectra of some (E)- and (Z)-α-(4-X-phenyl)-β-(2-thienyl) acrylamides at 70 eV are reported. The stereoisomeric compounds do not show significant differences. The mass spectra show a four centre reaction scheme with NH2 migration to the β-carbon atom and subsequent fission of Cα[sbnd]Cβ bond.