SUMMARYThe cytolytic activity of natural killer (NK) cells is regulated by inhibitory receptors that detect the absence of self molecules on target cells. Structural studies of...Full Text Available
The cyclohexane-1,2-diamine-based bisbinaphthyl macrocycles (S)-/(R)-5 and their cyclic and acyclic analogs are synthesized. The interactions of...Full Text Available
In the cellular immune response, recognition by CTL-TCRs of viral antigens presented as peptides by HLA class I molecules, triggers destruction of the virally infected cell (Townsend, A.R.M., J. Rothbard,...Full Text Available
Gamete development requires a coordinated soma-germ line interaction that ensures renewal and differentiation of germline and somatic stem cells. The physical contact between the germline and somatic...Full Text Available
The oviduct is an exquisitely designed organ that functions in picking-up ovulated oocytes, transporting gametes in opposite directions to the site of fertilization, providing a suitable environment...Full Text Available
BackgroundFertilization, cell division and embryo development depend on genomic contributions from male and female gametes. We hypothesize that teratozoospermic sperm influences...Full Text Available
Abstract The air-water interface presents several interesting features, namely a) a molecularly flat environment, b) a boundary region between two phases with different dielectric constants, c) permits or promotes dynamic interactions within the interface region, and d) a point of interaction between hydrophobic compounds and aqueous molecules. Accordingly, Langmuir monolayers at the air-water interface have several unique characteristics and properties, which require investigation. In this review-type personal account, typical examples of molecular recognition and molecular patterning at air-water interfaces are first introduced, followed by descriptions of specific and unusual properties of monolayers on water. In addition, two examples of our own results concerning Langmuir monolayers a...
Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In particular, the study of transition metal complexes that bind DNA with specificity has been a burgeoning field. This growth has been due in large part to the useful properties of metal complexes, which possess a wide array of photophysical properties and allow for the modular assembly of an ensemble of recognition elements. Here we review recent experiments in our laboratory aimed at the design and study of octahedral metal complexes that bind DNA non-covalently and target reactions to specific sites. Emphasis is placed both on the variety of methods employed to confer site-specificity and upon the many applications for these complexes. Particular attention is given to the family of complexes recently designed that target single base mismatches in duplex ...
Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In particular, the study of transition metal complexes that bind DNA with specificity has been a burgeoning field. This growth has been due in large part to the useful properties of metal complexes, which possess a wide array of photophysical attributes and allow for the modular assembly of an ensemble of recognition elements. Here we review recent experiments in our laboratory aimed at the design and study of octahedral metal complexes that bind DNA non-covalently and target reactions to specific sites. Emphasis is placed both on the variety of methods employed to confer site-specificity and upon the many applications for these complexes. Particular attention is given to the family of complexes recently designed that target single base mismatches in duplex ...
The present work reports on Raman and Surface Enhanced Raman Scattering (SERS) vibrational fingerprints of ?-carotene and haemoglobin in fresh whole blood (i.e. right after blood test) with different laser excitations, i.e. visible (514 nm) and near-infrared (NIR, 785 nm). The use of colloidal silver nanoparticles significantly increases the Raman signal, thus providing a clear SERS spectrum of blood. The collected spectra have been examined and marker bands of ?-carotene and of the haem prosthetic group of haemoglobin have been found. In particular, the fundamental features of ?-carotene (514 nm excitation), blood proteins and haem molecules (785 nm excitation) were recognized and assigned. Moreover haemoglobin SERS signals can be identified and related with its oxygenation state (oxy-haemoglobin). The data reported show the prospects of Raman and SERS techniques to detect important bio-molecules in a whole blood sample with no pre-treatment. ...
The preS2 antigens of hepatitis B virus (HBV), which causes a serious health problem in the world, have been implicated in hepatocyte cell binding and viral penetration. Therefore, the importance of antibody production against preS2 antigen for early diagnosis of HBV has been well established. In this study, the recombinant HBV preS2 single chain variable fragment (scFv) antibody was successfully expressed in E. coli with the novel cold shock vector (pCold) under the cspA promoter, and its expression level was compared with the pET vector under the T7 promoter. Additionally, a host with an oxidizing cytoplasm, E. coli trxB/gor double mutant, was used to improve the soluble expression. The anti-HBV preS2 scFv using pCold vector was successfully expressed in a soluble and functional form in ...
Motivation: Automatic recognition of cell identities is critical for quantitative measurement, targeting and manipulation of cells of model animals at single-cell resolution. It has been...Full Text Available
This letter reports a study designed to measure the benefits of voicing in the recognition of concurrent syllables. The target and distracter syllables were either voiced or whispered, producing...Full Text Available
We propose an approach to achieving early recognition of gesture patterns. Early recognition is a method for recognizing sequential patterns at their earliest stage. Therefore, in the case of gesture recognition, we can get a recognition result for human gestures before the gestures are finished. The most difficult problem in early recognition is knowing when the system has determined the result. Most traditional approaches suffer from this problem, since gestures are often ambiguous. At the start of a gesture, in particular, it is very difficult to determinate the recognition result since insufficient input data have been observed. Therefore, we have improved on the traditional approach by using a self-organizing map.
This paper focuses on the development of explicit self-awareness in children. Mirror self-recognition has been the most popular paradigm used to assess this ability in children. Nevertheless, according to Rochat (2003), there are, at least, three different levels of explicit self-awareness. We therefore designed three different self-recognition tasks, each corresponding to one of these levels (a mirror self-recognition task, a picture self-recognition task and a masked self-recognition task). We observed a decrease in performance across the three tasks. This supports a developmental scale in self-awareness. Besides, the masked self-recognition performance makes it possible to assess the final and the most sophisticated level of self-awareness, i.e. the external self. To our best knowledge,...
The mature spermatozoon of Cricocephalus albus is filiform, tapered at both ends and shows the following features: 2 axonemes of different lengths presenting the 9+''1'' trepaxonematan pattern, 2 bundles of parallel cortical microtubules, a mitochondrion and a nucleus. Nevertheless, the particularity of the spermatozoon of C. albus is its anterior extremity with an apical electron-dense material associated with extramembranar ornamentation, a cytoplasmic dorsolateral expansion and spine-like bodies. To our knowledge, such an anterior extremity of the spermatozoon has not previously been described from a species of the superfamily Pronocephaloidea. Our study provides new data on the mature gamete of C. albus in order to improve our understanding of the pronocephaloidean phylogenetic relatio...
BackgroundThe variety of ways in which faces are categorized makes face recognition challenging for both synthetic and biological vision systems. Here we focus on two face processing...Full Text Available
Recognition of acetylated chromatin by the bromodomains and extra-terminal domain (BET) family proteins is a hallmark for transcriptional activation and anchoring viral genomes to mitotic chromosomes...Full Text Available
It has been suggested that individual recognition based on song may be constrained by repertoire size in songbirds with very large song repertoires. This hypothesis has been difficult to test...Full Text Available
The latest-generation cochlear implant devices provide many deaf patients with good speech recognition in quiet listening conditions. However, speech recognition deteriorates rapidly as the level of...Full Text Available
Dectin-1, the major β-glucan receptor in leukocytes, triggers an effective immune response upon fungal recognition. Here we use sortase-mediated transpeptidation, a technique that allows placement...Full Text Available
Retinoic acid inducible gene I (RIG-I) is a pattern recognition receptor (PRR) responsible for detection of nucleic acids from pathogens in the cytoplasm of infected cells and induction of type I interferon...Full Text Available
The identification of the protein targets for dengue virus-specific T lymphocytes may be useful for planning the development of subunit vaccines against dengue. We studied the recognition by murine...Full Text Available
BackgroundA relevant problem in drug design is the comparison and recognition of protein binding sites. Binding sites recognition is generally based on geometry often combined with...Full Text Available
... order probabilistic modelling, multisensor monitoring of ... object recognition, image registration and point ... of the Berkeley Continuous Media Toolkit. ...
Technology is being developed for preparing functional materials by synthesizing new functional peptides in which non-natural amino acid needed for the functional manifestation is introduced, and by modifying the surface of a base plate such as silica glass by using such peptides. Activities were conducted in the three areas of (1) creation of functional molecules, (2) materialization technology, and (3) comprehensive investigation and research; the activities were carried out independently and parallelly in the first two areas. In (1), design technique for the structures and functions of peptides was developed, as were conformational control technique, synthesis of peptides having optical/electronic functions, peptide synthesis by an enzyme method, and R and D on introduction of non-natural amino acid into peptides; in (2), element technologies were developed such as substrate forming technique (pattern forming and thin film forming technology), substrate ...
A method to identify hadronic molecules in the particle spectrum is reviewed and the conditions for its applicability discussed. Special emphasis is put on the discussion of molecule candidates in the baryon spectrum. (orig.)
In this paper we focus on appearance features describing the manual component of Sign Language particularly the Local Binary Patterns. We compare the performance of these features with geometric moments describing the trajectory and shape of hands. Since the non-manual component is also very important for sign recognition we localize facial landmarks via Active Shape Model combined with Landmark detector that increases the robustness of model fitting. We test the recognition performance of individual features and their combinations on a database consisting of 11 signers and 23 signs with several repetitions. Local Binary Patterns outperform the geometric moments. When the features are combined we achieve a recognition rate up to 99.75% for signer dependent tests and 57.54% for signer indep...
The use of repeated expressions to establish coreference allows an investigation of the relationship between basic processes of word recognition and higher-level...Full Text Available
Chemical analyses were done on the abnormal hemoglobins of the five (101 x SEC)F_1 offspring of X- irradiated adult SEC mice to determine which hemoglobin genes were expressed in each hemoglobin variant. Three offspring of irradiated SEC males did not express either of the two kinds of #alpha#-chains normally found in all SEC mice. The deficient #alpha#-chain synthesis caused these mice to exhibit an #alpha#-thalassemia similar to human #alpha#-thalassemia. Scanning electron microscopy was used to show that many erythrocytes of mice with #alpha#-thalassemia have bizarre shapes; e.g. many erythrocytes appeared flattened or had thorny projections (acanthocytes). One mutant with a tandem duplication of a segment of chromosome 7 (site of locus determining #beta#-chain structure) produced twice as much SEC as 101 #beta#-chain polypeptides. One mutant that probably arose by non-disjunction of chromosome 7's in its unirradiated 101 mother and loss of chromosome 7 from the ...
Experience in the diagnosis and treatment of infertility has led to an increased understanding of the prominent role male factors play in many couples' inability to conceive. While many forms of male factor infertility are amenable to treatment, for some patients there is no corrective therapy available. For this reason, a great deal of attention has been focused on developing technologies for semen processing and sperm utilization in cases of decreased semen quality. One area of research is the development of more sophisticated methods of assessing sperm function, as well as methods of sperm preparation. Progress is also being made in the application of technologies such as intrauterine insemination and in vitro fertilization in the treatment of male factor infertility. Such developments have improved prospects for fertility among patients suffering from decreased semen quality, as well as those suffering from such disorders as ejaculatory failure and congenital vasal agenesis. ...
Sequence-specific interactions between aminoacyl-tRNA synthetases and their cognate tRNAs both ensure accurate RNA recognition and prevent the binding of noncognate substrates. Here we show for Escherichia...Full Text Available
The discovery of nearly sixty molecules, often unstable or complexes, in the interstellar space has been one of the greatest surprises of contemporary astronomy. We may, indeed, be surprised that molecules having up to 13 atoms might be synthetized in an extremely diluted space and at a very low temperature. That these molecules are, most of all, organic molecules is another astonishing subject, at least for the non-specialist. The interstellar molecule formation is indeed well understood nowadays, at least for the simplest ones. This article takes stock of interstellar chemistry which is essentially an ionic chemistry very different from laboratory chemistry.
Using static Michelson interferometer to get the spectrum information of measurement targets for spectrum identification, under the condition that the interference length is constant, the system can be optimized by BP neural network algorithm for the mixed spectral separation process. Thereby it can realize improving the recognition probability of camouflage target. Collecting the spectrum information in field of view (FOV) by the interferometer and linear array CCD detector, composing the set of mixed spectrum data, with known absorption spectrum of the material as a hidden layer of rules, it used BP neural network to separate the mixed spectrum data. Experiment with different distances, different combinations of mixed background spectrum as the initial data, using steel target (size: 1.5 m x 1.5 m) made of four kinds, the recognition probability of non-camouflage target is about 90% by BP neural network algorithm or the traditional algorithm, ...
A statistical pattern recognition method was applied to the analysis of the signals of crosssectional mean void fraction for discriminating gas-liquid two-phase flow regimes. The analysis and discrimination were carried out based on six key flow patterns : bubble, cap-bubble, plug, froth (F_I and F_I_I), and annular flow. For each flow condition 100 void signals with a recording dimension of 1 second were used and transferred to discrete data, the sampling frequency of which was selected at 100 Hz by comparison between correct recognition rates obtained from different frequencies. The magnitude of the time-averaged void fraction was partly employed supplementary to the pattern recognition method. The boundaries between the six flow regimes were determined corresponding to a correct recognition rate of 80 % and drawn on a superficial gas-liquid velocities diagram. These flow boundaries were also compared ...
We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and ...
Ultraveiolet spectroscopy of molecules in vapour phase gives valuable information about electronic structure of free molecules. But in many cases vaipour phase investigations are not possible and in order to isolate molecules within solid lattice, we used cryogenic temperature and high vacuum technology to study absorption spectrum within the spectral range (230-270)nm of an isolated benzene molecule in Argon, Krpton, Nitrogen, Carbon and methane matrices. The spectra shifts were measured and calculated in the matrix environment for the electronnic transition (B 24--A 19) in benzene molecule using the matrices mentioned above. Molar extinction coefficients and oscillator strength were measured too. (7 tabs., 32 figs., 50 refs.).
We present a new modular traffic signs recognition system, successfully applied to both American and European speed limit signs. Our sign detection step is based only on shape-detection (rectangles or circles). This enables it to work on grayscale images, contrary to most European competitors, which eases robustness to illumination conditions (notably night operation). Speed sign candidates are classified (or rejected) by segmenting potential digits inside them (which is rather original and has several advantages), and then applying a neural digit recognition. The global detection rate is ~90% for both (standard) U.S. and E.U. speed signs, with a misclassification rate 150 minutes of video. The system processes in real-time ~20 frames/s on a standard high-end laptop.
Using databases derived from the pattern recognition approach, the paper presents a methodology for utilizing fuzzy models to enhance the quality of decision-making using fuzzy-logic algorithms. Two multi-objective fuzzy-logic control algorithms for controlling power system static/dynamic security are presented and analyzed. The first algorithm is based on the successive inferences of fuzzy implication rules for each individual objective, and the second algorithm is an application of the method of fuzzy linear programming. The paper discusses the properties, advantages and limitations of applying fuzzy decision-making logic in the pattern-recognition approach and concludes by highlighting potential areas for further development. (author)
A method for the study of conjugated polyelectrolyte (CPE) photophysics in solution at the single-molecule level is described. Extended observation times of single polymer molecules are enabled by the...Full Text Available
This poster describes single-molecule tracking and total internal reflection fluorescence microscopy. It discusses whether the carbohydrate-binding module (CBM) moves on cellulose, how the CBM binds to cellulose, and the mechanism of cellulosome assembly.
Solid molecular orthohydrogen exhibits orientational order at low temperatures. The orthohydrogen molecules, which are quadrupoles, order in the Pa3 structure. We have simulated this ordering, and explored the behaviour under dilution by spherical parahydrogen molecules.
The kinetic parameters of single bonds between neural cell adhesion molecules were determined from atomic force microscope measurements of the forced dissociation of the homophilic protein-protein bonds....Full Text Available
The hyperfine splitting in the rotational levels of the C/sub 2/H molecule is calculated as far as N = 10. Line strengths and transition probabilities are determined for permitted transitions with DN = 1, DF = 0, +- 1.
The mechanism by which mechanical force regulates the kinetics of a chemical reaction is unknown. Here, we use single-molecule force–clamp spectroscopy and protein engineering to study the effect...Full Text Available
Investigations of enzymes involved in DNA metabolism have strongly benefited from the establishment of single molecule techniques. These experiments frequently require elaborate DNA substrates, which...Full Text Available
Mating signals are often directed at numerous senses and provide information about species identity, gender, receptiveness, individual identity and mate quality. Given the diversity of colourful body...Full Text Available
Uracil appears in DNA as a result of cytosine deamination and by incorporation from the dUTP pool. As potentially mutagenic and deleterious for cell regulation, uracil must be removed from DNA....Full Text Available
Sequence-directed variations in the canonical DNA double helix structure that retain Watson-Crick base-pairing play important roles in DNA recognition, topology, and nucleosome positioning....Full Text Available
BackgroundA key feature of a good general practice consultation is that it is patient-centred. A number of verbal and non-verbal behaviours have been identified as important to establish...Full Text Available
BackgroundSurface electromyography (sEMG) signals have been used in numerous studies for the classification of hand gestures and movements and successfully implemented in the position...Full Text Available
Efficiency of translation termination relies on the specific recognition of the three stop codons by the eukaryotic translation termination factor eRF1. To date only a few proteins are known to be involved...Full Text Available
On the current conception of the epidemiology of epidemic influenza, as caused by a mechanism of direct spread of the virus from the sick, epidemics must have travelled much more slowly in former times...Full Text Available
A large percentage of patients with HIV/AIDS will develop dermatological complications. Consequently, all practising clinicians and pathologists in regions with a high prevalence of HIV/AIDS must be...Full Text Available
BackgroundIn many gregarious mammals, mothers and offspring have developed the abilities to recognise each other using acoustic signals. Such capacity may develop at different rates...Full Text Available
Totipotent stem cells have the potential to differentiate into every cell type. Renewal of totipotent stem cells in the germline and cellular differentiation during early embryogenesis rely upon posttranscriptional...Full Text Available
Resistance (R) protein mediated recognition of pathogen avirulence effectors triggers signaling that induces a very robust form of species-specific immunity in plants. The soybean Rpg1-b protein mediates...Full Text Available
A scientific breakthrough at Queen's University's Sudbury Neutrino Observatory has received major international recognition. The journal Science ranked the discovery that cracked the "neutrino problem" second, in the journal's top 10 scientific achievements of 2002 (1/2 page).
BackgroundExperimental psychology has only recently provided supporting evidence for Freud's and Janet's description of unconscious phenomena. Here, we aimed to assess whether specific...Full Text Available
Recognition of HIV-1 ssRNA by TLR7 induces the production of the pro-inflammatory cytokines that may contribute to the systemic immune activation associated with HIV-1 disease progression. Here...Full Text Available
We examined the effect of spatial iconicity (a perceptual simulation of canonical locations of objects) and word-order frequency on language processing and episodic memory of orientation. Participants...Full Text Available
Young men's errors in sexual perception have been linked to sexual coercion. The current investigation sought to explicate the perceptual and decisional sources of these social perception errors,...Full Text Available
cdc18+ of Schizosaccharomyces pombe is a periodically expressed gene that is required for entry into S phase and for the coordination of S phase with mitosis. cdc18+ is related to the Saccharomyces...Full Text Available
The RNA packaging process for retroviruses involves a recognition event of the genome-length viral RNA by the viral Gag polyprotein precursor (PrGag), an important step in particle morphogenesis. The...Full Text Available
Understanding the interactions between herpesviruses and their host cells and also the interactions between neoplastically transformed cells and the host immune system is fundamental to understanding...Full Text Available
BackgroundPromoter region plays an important role in determining where the transcription of a particular gene should be initiated. Computational prediction of eukaryotic Pol II promoter...Full Text Available
The dynamical signals of sound pressure oscillation in natural convective subcooled boiling system are obtained by using computer data acquisition technique. Through frequency-domain analysis of typical dynamical data, combined with study on the acquired time series of sound pressure, are observed and explained. The time-frequency phenomena, such as the onset of shock wave, frequency doubling relation of sound pressure, combination of sound frequency spectrum peaks etc., which describe the characteristics of natural convective subcooled boiling system are presented. Furthermore, based on frequency spectra of sound pressure, related eigen vectors are defined and established and with dynamical clustering method, regime recognition for the dynamical process of system is carried out. Results of recognition are consistent with that of qualitative analysis of time series, which is of great significance for automatic monitoring system of nuclear ...
There is increasing recognition of intraspecific diversity and population structure within marine fish species, yet there is little direct evidence of the isolating mechanisms that maintain it or documentation...Full Text Available
SUMMARYMotile dendritic filopodial processes are thought to be precursors of spine synapses, but how motility relates to cell-surface cues required for axon-dendrite recognition...Full Text Available
Periodontal diseases are infections of the tissues supporting the dentition. Recognition that relatively specific microfloras are associated with distinct clinical forms of periodontal disease has prompted...Full Text Available
We classified microorganisms from the clinical laboratory by using information provided by the Gram stain and antibiotic sensitivity profiles obtained with the Bauer-Kirby technique. Approximately 4,000...Full Text Available
This paper proposes a new pattern recognition system employing optical joint transform correlation (JTC) technique which offers a great number of advantages over similar digital techniques, including very fast operation, simple architecture and capability of updating the reference image in real time. The proposed JTC technique incorporates a synthetic discriminant function (SDF) of the target image estimated from different training images to make the pattern recognition performance invariant to noise and distortion. It then involves four different phase-shifted versions of the same target SDF reference image, which are individually joint transform correlated with the given input scene. When the correlation signals are combined, it produces a single cross-correlation peak corresponding to each potential target present in the given input scene. The proposed technique also includes a fringe-adjusted filter to generate a delta-like correlation peak ...
The Tetrahymena thermophila origin recognition complex (ORC) contains an integral RNA subunit, 26T RNA, which confers specificity to the amplified ribosomal DNA (rDNA) origin by base...Full Text Available
The use of spatially referenced data in cancer studies is gaining in prominence, fueled by the development and availability of spatial analytic tools and the broadening recognition of the linkages between...Full Text Available
BACKGROUND. In recognition of the emotional problems which frequently underlie somatic complaints, practices increasingly offer counselling as part of their services to patients. In an inner city practice,...Full Text Available
Competent Haemophilus cells recognize and preferentially take up Haemophilus DNA during genetic transformation. This preferential uptake is correlated with the presence on incoming DNA of an 11-base-pair...Full Text Available
BackgroundMammalian antimicrobial peptides (AMPs) are effectors of the innate immune response. A multitude of signals coming from pathways of mammalian pathogen/pattern recognition...Full Text Available
In the yeast Saccharomyces cerevisiae, a and α mating-type information is stored in transcriptionally silenced cassettes called HML and HMR....Full Text Available
Isotopically selective IR multiphoton dissociation of molecules (SF_6, CF_3I) in a pulsed gas-dynamic flow interacting with a solid surface was studied for the first time. A noticeable (severalfold) increase in the yield of products (compared to excitation of molecules in an unperturbed flow) without a substantial decrease in the selectivity of the process was observed. Possible reasons for the effect are discussed. (laser applications and other topics in quantum electronics)
Artificial Neural Networks (ANNs) are parallel distributed processing machines. The unique characteristics of ANNs are: Fault tolerance, robustness, plasticity and generalization. These offer great potential in many AI applications such as character recognition. Handwritten character recognition is an intrinsically interesting problem, but the difficulties of this task are the many variations in the characters. A robust new incremental learning method, which combines supervised and unsupervised learning paradigms implemented by the Functional Link Net, is illustrated with experimental results. Clustering, based on unsupervised learning, classifies the input data into several categories. The supervised learning paradigm then further classifies the data in the clustered categories.
The term biological motion is often used by researchers studying the patterns of movement generated by living forms and in sports. We studied a pattern recognition system of motion in sport using biological motion data. Biological motion data are acquired using a 3D motion capture system. However, 3D motion capture systems are very expensive. In this article, a biological motion capture system was built using acceleration sensors. Our proposed system uses the technique of Gaussian fitting and regression analysis. We tested our proposed system in pattern recognition of outdoor tennis and its evaluations.
The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...
Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or high energy electrons, circumvent this problem by averaging over many molecules. Averaging, however, leaves conformational details uncovered. Even the anticipated use of ultra-short but extremely bright X-ray bursts of a Free Electron Laser shall afford averaging over 10^6 molecules to arrive at atomic resolution. Here we present direct experimental evidence for non-destructive imaging of individual DNA molecules. In fact, we show that DNA withstands coherent low energy electron radiation with deBroglie wavelength in the Angstrom regime despite a vast dose of 10^8 electrons/nm^2 accumulated over more than one hour.
A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. Possible mechanisms of the MDD decay are ...
The light gain due to S/sub 2/ molecules in a supersonically cooled gas mixture is calculated. The S/sub 2/ molecules formed due to the recombination of the sulfur atoms, and the combustion gas mixture was preheated in a precombustion chamber. Optimal gas flow and nozzle parameters are found which correspond to the highest possible light gain using Cs/sub 2/-Ar and S/sub 2/-Ar gas mixtures. The steady state gas flow in the nozzle was calculated, taking into account the chemical reactions in the one-dimensional approximation. It is shown that the maximum gain values vary in the 0.0001-0.002 range for gas pressures in the precombustion chamber in the range 10-100 atm. The optimal initial relative concentration of Cs/sub 2/ molecules and S/sub 2/ molecules are given. 32 references.
The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.
The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like ...
The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like ...
Adenine DNA glycosylase catalyzes the glycolytic removal of adenine from the promutagenic A {center_dot} oxoG base pair in DNA. The general features of DNA recognition by an adenine DNA glycosylase, Bacillus stearothermophilus MutY, have previously been revealed via the X-ray structure of a catalytically inactive mutant protein bound to an A:oxoG-containing DNA duplex. Although the structure revealed the substrate adenine to be, as expected, extruded from the DNA helix and inserted into an extrahelical active site pocket on the enzyme, the substrate adenine engaged in no direct contacts with active site residues. This feature was paradoxical, because other glycosylases have been observed to engage their substrates primarily through direct contacts. The lack of direct contacts in the case of MutY suggested that either MutY uses a distinctive logic for substrate recognition or that the X-ray structure had captured a noncatalytically competent ...
The investigation of interfaces between thin organic films and metal surfaces is a field of highest interest because it represents the basis for future applications of organic electronic devices. In this context, phtalocyanines are of particular interest since repulsive intermolecular interaction was found recently for this group of organic molecules. Tin(II)-phtalocyanine (SnPc) is non-planar and can adsorb in two different geometries: with the Sn atom pointing downwards (Sn down) or upwards (Sn up). In our group different Pc molecules have previously been studied using several experimental techniques like SPA-LEED or XSW. Here we present STM studies of SnPc on Ag(111), taken at different coverages and temperatures, and discuss the results in the context of our previous findings. At low coverages the formation of chains can be observed for Sn down molecules while Sn up molecules tend to stay separated. ...
There is very little known about the long-term evolution of the MHC and MHC-like molecules. This is because both the theory (the evolutionary questions and models) and the practice (the animals systems, functional assays and reagents to identify and characterize these molecules) have been difficult to develop. There is no molecular evidence yet to decide whether vertebrate immune systems (and particularly the MHC molecules) are evolutionarily related to invertebrate allorecognition systems, and the functional evidence can be interpreted either way. Even among the vertebrates, there is great heterogeneity in the quality and quantity of the immune response. The functional evidence for T-lymphocyte function in jawless and cartilagenous fish is poor, while the bony fish seem to have many characteristics of a mammalian immune system. The organization and sequence of fish Ig genes also indicate that important events in the ...
Atoms in very high Rydberg states, 100 approx-lt n approx-lt 1100, are used to investigate electron-molecule interactions at electron energies extending down to a few microelectronvolts. At such energies the cross section for electron capture by CCl_4 is observed to vary inversely with electron velocity, indicative of an s-wave process. Studies with the polar target CH_3Cl suggest that dipole-supported states may be important in inelastic electron-polar molecule scattering at very low electron energies.
Alternative mechanisms of electron state excitation in diatomic molecules are examined with reference to CN and C2 molecules forming in chemical reactions behind strong shock wave fronts in a CO(CO2)-N2 gas mixture. The temperature range considered is 4000-8000 K. An effective excitation mechanism is proposed which involves rapid vibration-rotation excitation at all electron states and nonradiative transitions between perturbed electron states induced by collisions with the ambient gas particles.
The interaction of free electrons in the energy range from 0 to 10 eV with molecules at different stages of aggregation is investigated. The mechanism in the gas phase under single collision conditions is described. Fullerenes C_6_0 and C_7_0 are used as targets. Electron impact on condensed molecules can lead to temporary negative ions. The formation of Cl"- from gas phase CCl_4 and the desorption of Cl"- from 6 monolayer CCl_4 film on an Au substrate is determined experimentally. (Suda).
Target recognition requires the ability to distinguish targets from non-targets, a capability called one-class generalization. To function as a one-class classifier, a neural network must have three types of generalization: within-class, between-class, and out-of-class. We discuss these three types of generalization and identify neural network architectures that meet these requirements. We have applied our one-class classifier ideas to the problem of automatic target recognition in synthetic aperture radar. We have compared three neural network algorithms: Carpenter and Grossberg`s algorithmic version of the Adaptive Resonance Theory (ART-2A), Kohonen`s Learning Vector Quantization (LVQ), and Reilly and Cooper`s Restricted Columb Energy network (RCE). The ART 2-A neural network has given the best results, with 100% within-class, and out-of-class generalization. Experiments show that the network`s performance is sensitive to vigilance and number ...
Target recognition requires the ability to distinguish targets from non-targets, a capability called one-class generalization. Many neural network pattern classifiers fail as one-class classifiers because they use open decision boundaries. To function as one-class classifier, a neural network must have three types of generalization: within-class, between-class, and out-of-class. We discuss these three types of generalization and identify neural network architectures that meet these requirements. We have applied our one-class classifier ideas to the problem of automatic target recognition in synthetic aperture radar. We have compared three neural network algorithms: Carpenter and Grossberg`s algorithmic version of the Adaptive Resonance Theory (ART-2A), Kohonen`s Learning Vector Quantization (LVQ), and Reilly and Cooper`s Restricted Coulomb Energy network (RCE). The ART 2-A neural network gives the best results, with 100% within-class, ...
The production of molecularly imprinted polymers (MIPs) for the recognition of C-terminal cholecystokinin pentapeptide (CCK-5) in the presence of metal ion is reported. The MIPs were produced under the same molar ratio of template to monomers (acrylamide, N,N'-methylene bisacrylamide) in the presence or absence of nitrilotriacetic acid-nickel (Ni-NTA) complex. Scanning electron microscopy images of MIPs were obtained in an attempt to correlate the adsorption characteristics with polymer's morphology. Subsequently Ni2+ was removed and substituted by other divalent ions such as Mg2+, Fe2+, Zn2+, Co2+ and Cu2+. It was found that polymers containing the metal ion complex with the order Fe-NTA, Ni-NTA and Cu-NTA presented lower dissociation constant values than the rest thus exhibiting stronger guest binding activity. The percentage of theoretical maximum binding sites Bmax was almost the same for these ions, indicating that the ion-template coordination is responsible ...
As part of developing efforts for physical exploration technologies for oil reservoirs, this paper describes development of an active seismic while drilling (SWD). The SWD is a seismic exploration method to acquire records equivalent to VSP using seismic waves generated from a bit executing excavation, and is capable of detection and control on a real time basis during the excavation. However, the drawback is that it is subjected to a limitation in the bit. To eliminate this limitation, an artificial seismic source method was devised. In other words, this is an SWD utilizing an artificial seismic source. The contrivance is such that a shot sub containing a magnetic distortion oscillator is attached directly above a bit to generate vibration artificially, and try to utilize larger seismic energy by combining this vibration with that generated from the excavating bit. Frequency band in the seismic source is as narrow as nearly a single frequency waveform. Preparing a time-depth curve ...
We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest some complex formation ...
There is considerable evidence that purines are vasoactive molecules involved in the regulation of blood flow. Adenosine is a well known vasodilator that also acts as a modulator of the response to...Full Text Available
Diverse cell polarity networks require positive feedback for locally amplifying distributions of signalling molecules at the plasma membrane1. Additional...Full Text Available
Schizophrenia is a heterogeneous psychiatric disorder in which multiple neurotransmitter systems have been implicated. Increased and decreased dopamine transmission in the subcortical meso-limbic and...Full Text Available
... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...
On efficient glass capillary columns packed with graphitized thermal carbon black (GTCB) the stereoisomers of aromatic and saturated tricyclic hydrocarbons are completely separated and identified. The Henry's adsorption constants of the individual isomers were determined from mixture at different temperatures. Five isomers of perhydroanthracene, five isomers of perhydrofluorene, two isomers of perhydrophenalene, four isomers of perhydroacenaphthene, as well as phenalene, dihydrophenalene, acenaphthene and acenaphthylene were investigated. The increase of the hydrogenization degree of unsaturated tricyclic hydrocarbons reduces the retention. Among the saturated tricyclic isomers the retention becomes shorter with the larger bending of the molecules, i.e. from the molecule having more equatorial bonds to the molecules having more axial connections. The experimentally determined Henry's constants were ...
The present invention relates generally to an apparatus and method for separating high molecular weight molecules from low molecular weight molecules. More specifically, the invention relates to the use of microdialysis for removal of the salt (low molecular weight molecules) from a nucleotide sample (high molecular weight molecules) for ESI-MS analysis. The dialysis or separation performance of the present invention is improved by (1) increasing dialysis temperature thereby increasing desalting efficiency and improving spectrum quality; (2) adding piperidine and imidazole to the dialysis buffer solution and reducing charge states and further increasing detection sensitivity for DNA; (3) using low concentrations of dialysis buffer and shifting the DNA negative ions to higher charge states, producing a nearly 10-fold increase in detection sensitivity and a slightly decreased desalting efficiency, or (4) ...
Anthracene-bis-resorcinol is an interesting molecule as it forms a hydrogen-bonded network when guest molecules with weak polarity are included. Focused ion beam (FIB) was irradiated on a part of its amorphous film with low dose, and the film was exposed to the vapor of guest molecules. From fluorescence and AFM analyses of this film, it was found that no inclusion compound was formed in FIB irradiated area, i.e. FIB irradiation suppresses the ability to form the inclusion compounds. By utilizing this phenomenon, we succeeded in a microfabrication of relief structures consisting of inclusion compounds which has different fluorescence from its surrounding. Morphology, fluorescence, and IR absorption analyses indicated that hydroxyl or resorcin groups are damaged by ion beams, and consequently a formation of hydrogen-bonded networks, which play a role of a lattice caging guest molecules, becomes ...
Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In...Full Text Available
Rabbit antisera raised to human and chicken MHC molecules were used to immunoprecipitate cross-reactive molecules from biosynthetically and cell surface-labeled spleen and/or blood cells of representative vertebrate species. Five major points emerged: 1) There were many nonspecific cross-reactions using these techniques, so various criteria were developed to distinguish these from true MHC-like molecules. 2) Only very small subpopulations of immunogen-specific antibodies cross-reacted with MHC-like molecules in other nonmammalian species. These subpopulations were different for each species and even within a species, sometimes being so limited as to behave like alloantisera. This led to a very scattered pattern of true cross-reactions that sometimes failed to reflect the properties of the bulk antibody population. 3) Antisera containing antibodies to class II beta- and class I alpha-chains cross-reacted ...
BackgroundMany molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison (MSC)...Full Text Available
The comprehensive theoretical and experimental study of the adsorption of water and methanol molecules on active sites (carboxyl and phenol hydroxyl groups) on the graphitized thermal carbon black is performed. It is shown that microclusters formed upon the adsorption of these molecules on such sites are characterized by the cyclic structure comprising 4?5 molecules similar to that whose existence was revealed previously in liquid water and on the surface of silver iodide. The analysis of the studied adsorption clusters demonstrated that the formation of such cycles is governed primarily by the hydrogen bonding; however, a definite role is played also by energy effects associated with the changes in the state of molecular motion during adsorption. It is shown that the generalized Langmuir ...
The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)
PurposeTo analyze the expression of apoptosis and cell proliferation molecules in pterygium tissues of Chinese patients.MethodsThirty-three pterygia...Full Text Available
Diffusion in the extracellular space (ECS) of the brain is constrained by the volume fraction and the tortuosity and a modified diffusion equation represents the transport behavior of many molecules...Full Text Available
Calculations relating to two experiments that demonstrate coherent control of preformed rubidium-85 molecules in a magneto-optical trap using ultrafast laser pulses are presented. In the first experiment, it is shown that pre-associated molecules in an incoherent mixture of states can be made to oscillate coherently using a single ultrafast pulse. A novel mechanism that can transfer molecular population to more deeply bound vibrational levels is used in the second. Optimal parameters of the control pulse are presented for the application of the mechanism to molecules in a magneto-optical trap. The calculations make use of an experimental determination of the initial state of molecules photoassociated by the trapping lasers in the magneto-optical trap and use shaped pulses consistent with a standard ultrafast laser system.
This paper describes attempts to isolate and characterize glycosaminoglycan (GAG)-binding molecules on the surface of lymphocytes and lymphoma cell lines and relate their expression to splenic and lymph...Full Text Available
Summary of recent advancesA family of small molecules called ascarosides act as pheromones to control multiple behaviors in the nematode Caenorhabditis elegans....Full Text Available
Carboxylesterases (CE) are ubiquitous enzymes that hydrolyze numerous ester-containing xenobiotics, including complex molecules, such as the anticancer drugs irinotecan (CPT-11) and capecitabine...Full Text Available
Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.
Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent ...
Recent studies have shown that there is a wide variety of approaches to education and training of the Qualified Expert across the European Union. National education and training programmes show often large differences in content, duration, level, the introduction of practical work, etc. As they stand, such differences are a barrier to the mutual recognition of the Qualified Expert status and, in part, are contributing to a perceived shortage in expertise in radiation protection and safety. The overall aim of ENETRAP is to determine mechanisms that in the longer term will facilitate better integration of education and training activities (with a view to mutual recognition across the European Union) and to ensure the ongoing provision of the necessary competence and expertise at the level of the Qualified Expert. The ENETRAP project is a 6FP coordination action. It started in April 2005 and runs over a period of 24 months. (authors)
This Chapter develops a realist information-theoretic interpretation of the nonclassical features of quantum probabilities. On this view, what is fundamental in the transition from classical to quantum physics is the recognition that \\emph{information in the physical sense has new structural features}, just as the transition from classical to relativistic physics rests on the recognition that space-time is structurally different than we thought. Hilbert space, the event space of quantum systems, is interpreted as a kinematic (i.e., pre-dynamic) framework for an indeterministic physics, in the sense that the geometric structure of Hilbert space imposes objective probabilistic or information-theoretic constraints on correlations between events, just as the geometric structure of Minkowski space in special relativity imposes spatio-temporal kinematic constraints on events. The interpretation of quantum probabilities is more subjectivist in spirit ...
The phase composition and microstructure of O'-sialon prepared from Chinese coal gangue have been studied. The use of Si powder is more effective than that of activated carbon or mainly carbon with a little silicon for reduction-nitridation. For specimens with 40% Si addition, more than 80% of O'-sialon may be obtained when nitrided at 1500 degree sign C. The formed O'-sialon was characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM). The parameters for O'-Sialon preparation are optimized by computer pattern recognition program based on principal component analysis, the target parameter optimum regions with higher relative content of O'-Sialon was indicated by this way.
Roller bearing is one of the most widely used elements in rotary machines. Condition monitoring of such elements is conceived as pattern recognition problem. Pattern recognition has three main phases: feature extraction, feature selection and feature classification. Histogram features can be used for fault diagnosis of roller bearing. This paper presents the use of decision tree for selecting best few histogram features (bin ranges) that will discriminate the fault conditions of the bearing from given train samples. These features are extracted from vibration signals. A rule set is formed from the extracted features and fed to a fuzzy classifier. The rule set necessary for building the fuzzy classifier is obtained largely by intuition and domain knowledge. This paper also presents the usag...
We have developed a playmate robot system for playing the rock-paper-scissors game with humans. The playmate robot recognizes the hand motions of a human using image processing without attaching any additional units to the human. The playmate robot system consists of three parts: a game management part, a hand motion recognition part, and a robot hand control part. The system functions as follows. (1) Before the game is played, the game management part decides on the motion of the robot hand from amongst rock, paper, and scissors. After the game is played, the robot develops a reaction using speech and facial expressions depending on the result of the game. (2) The hand motion recognition part recognizes the hand motion of the human. It does not use any additional units on the human?s body...
This report is intended to satisfy two concurrent needs: (1) provide a contract deliverable from Oncorh Consulting to the Washington Department of Fish and Wildlife (WDFW), with emphasis on identification of salient results of value to ongoing Yakima/Klickitat Fisheries Project (YKFP) planning and (2) summarize results of research that have broader scientific relevance. This is the fourth in a series of reports that address reproductive ecological research and monitoring of spring chinook populations in the Yakima River basin. This annual report summarizes data collected between April 1, 2004 and March 31, 2005 and includes analyses of historical baseline data, as well. Supplementation success in the Yakima Klickitat Fishery Project's (YKFP) spring chinook (Oncorhynchus tshawytscha) program is defined as increasing natural production and harvest opportunities, while keeping adverse ecological interactions and genetic impacts within acceptable bounds (Busack et al. 1997). ...
The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.
The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.
Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.
Monoclonal antibodies (mAb) to ovine T-lymphocyte molecules SBU-T8 (Maddox, Mackay & Brandon, 1985), the cytotoxic T lymphocyte, human CD8 equivalent, and SBU-T6 (Mackay et al., 1985), the immature...Full Text Available
The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.
The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.
The method of double microwave--radio-frequency resonance has been used to obtain spectra of the 2/sub 11/reverse arrow2/sub 12/ and 3/sub 21/reverse arrow3/sub 22/ transitions in HCOOD, DCOOH, and HCOOH molecules. The constants of the quadrupole bond of the deuterons have been determined, magnetic interactions being taken into acocunt. A comparison with results of previous studies is given.
The tumor suppressor p53 is often inactivated in breast cancer cells because the overexpression of its repressors (e.g., MDM2 and MDMX). Restoration of p53 activity by small molecules through counteracting...Full Text Available
The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that ...
Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first enzyme in the biosynthetic pathway of the branched-chain amino acids. It catalyzes the conversion of two molecules of pyruvate into 2-acetolactate or one molecule of pyruvate and one molecule of 2-ketobutyrate into 2-aceto-2-hydroxybutyrate. AHAS requires the cofactors thiamine diphosphate (ThDP), Mg{sup 2+} and FAD for activity. The herbicides that target this enzyme are effective in protecting a broad range of crops from weed species. However, resistance in the field is now a serious problem worldwide. To address this, two new sulfonylureas, monosulfuron and monosulfuron ester, have been developed as commercial herbicides in China. These molecules differ from the traditional sulfonylureas in that the heterocyclic ring attached to the nitrogen atom of the sulfonylurea bridge is monosubstituted rather than disubstituted. The structures of these ...
The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While similar measurements ...
A Zinc/Air Battery Review and Strategic Planning Meeting was held in 1993. One outcome of the meeting was recognition of the need for a report on the current status of the technology. This report contains contributions from many of the attendees at the above meeting and expresses their views on where the technology is today and what could/should be done to improve its performance.
Lethal alleles of the Drosophila k43 gene result in small or missing imaginal discs, greatly reduced mitotic index, and fragmented and abnormally condensed chromosomes. A female-sterile...Full Text Available
With the aim of an experimental check on the validity of the theory of molecular recognition, the authors have carried out the chemical-enzymatic synthesis and cloning of the gene of human calcitonin and also of the genes of antisense polypeptides to human calcitonin and miniproinsulin. It has been shown that recombinant plasmids obtained on the basis of these synthetic genes are capable of ensuring the biosynthesis of the given polypeptides in E. coli cells as hybrid proteins with the IgG-binding domain of staphylococcal protein A.
There are about fifty SET domain protein methyltransferases (PMTs) in the human genome, that transfer a methyl group from S-adenosyl-L-methionine (SAM) to substrate lysines on histone tails or other peptides. A number of structures in complex with cofactor, substrate, or inhibitors revealed the mechanisms of substrate recognition, methylation state specificity, and chemical inhibition. Based on these structures, we review the structural chemistry of SET domain PMTs, and propose general concepts towards the development of selective inhibitors.
Cellulose raw materials costs must be considered in order to obtain a minimized hexose cost. In recognition of this fact, it may be economically advantageous to operate at less than maximum hexose concentration in the reactor and to recycle unreacted cellulose. The objective of this article is to optimize a cellulose-recycle reactor system for producing hexose at minimum cost. A sensitivity analysis of the important variables in the mathematical model of this system is also discussed.
Electric cars are a clean and noiseless alternative to vehicles with combustion engines for journeys in cities and their environs. In recognition of this, ABB has developed an efficient electric drive system featuring modern power electronics and a high-energy, sodium-sulphur battery. The energy-to-weight ratio of this battery is four times that achieved with conventional lead-acid batteries. To recharge the battery, a charger mounted next to the motor has only to be connected to a household power socket.
Peroxisome proliferator activated receptor-{gamma} (PPAR{gamma}) regulates metabolic homeostasis and adipocyte differentiation, and it is activated by oxidized and nitrated fatty acids. Here we report the crystal structure of the PPAR{gamma} ligand binding domain bound to nitrated linoleic acid, a potent endogenous ligand of PPAR{gamma}. Structural and functional studies of receptor-ligand interactions reveal the molecular basis of PPAR{gamma} discrimination of various naturally occurring fatty acid derivatives.
The computer vision approach to image analysis is discussed from two aspects. First, this approach is constrasted to the pattern recognition approach. Second, how external knowledge and information and models from other fields of science and engineering can be used for image and scene analysis is discussed. In particular, the connections between computer vision and computer graphics are pointed out.
Authors describe diagnostic dilemma of differentiating pyelonephritis with lymphomatous involvement of kidney in a known case of lymphoma. FDG uptake pattern was non-discriminatory and pyelonephritis diagnosed retrospectively on follow up study. Authors emphasize the importance of recognition of features and subtle clues of infection evident on CT component of PET-CT. (author)
DescriptionPhytoplankton is the collective name given to the microscopic floating plants in seas and lakes. Under certain conditions, the abundance of phytoplankton as a whole or of one or more species in particular, can reach a magnitude at which it is visible through discolouration of the sea. Some of these blooms because of the colour of the water have been called 'Red Tides'. Blooms of some 300 species of the phytoplankton are known as Harmful Algal Bloom (HAB) species in recognition of their poten [continued...
Over the past ten years face segmentation has developed rapidly and various algorithms have been proposed. In this paper we will demonstrate a face detection system based on skin color and the spaces RGB, normalized RGB, HSV and YCbCr are concentrated here. Through combing them the more accurate face region will be detected.
DescriptionDespite the growing recognition of the important part fruit and vegetables can play in helping prevent a number of diseases, health and nutrition experts are concerned about the low consumption of fruits and vegetables in the UK. The principal aim of this project is to improve consumer dietary consumption of fruit and vegetables by developing novel snack foods based on the fruit and vegetable materials using extrusion processing.
Ileal dysgenesis is an uncommon condition of unknown etiology occurring in the distal ileum in the region of the vitelline duct. The CT appearance of this lesion, although not previously described to our knowledge, is characteristic. We report a patient with ileal dysgenesis who had an abdominal CT scan to evaluate chronic iron deficiency anemia and protein-losing enteropathy. Recognition of this lesion by pediatric radiologists is important; so that surgical treatment, which is simple and effective, can be initiated quickly. (orig.)
Yeast arginyl-tRNA synthetase recognizes the non-modified wild-type transcripts derived from both yeast tRNA(Arg) and tRNA(Asp) with equal efficiency. It discriminates its cognate natural substrate,...Full Text Available
An interface-marker technique has been used to investigate the relative rates of diffusion of Si and of metal atoms during the growth of metal silicide films. The technique enables recognition of a reference plane in thin film diffusion using Rutherford backscattering, while minimizing any perturbation of the diffusion process. Examples are drawn from studies of the growth of silicides of W, Mo, Ta, Nb, Pd and Pt. (orig.).
Positioning of release factor eRF1 toward adenines and the ribose-phosphate backbone of the UAAA stop signal in the ribosomal decoding site was studied using messenger RNA (mRNA) analogs containing...Full Text Available
The process of implementing a damage detection strategy for aerospace, civil and mechanical engineering infrastructure is referred to as structural health monitoring (SHM). Here damage is defined as changes to the material and/or geometric properties of these systems, including changes to the boundary conditions and system connectivity, which adversely affect the system's current or future performance. Our approach is to address the SHM problem in the context of a statistical pattern recognition paradigm (Farrar, Nix and Doebling, 2001). In this paradigm, the process can be broken down into four parts: (1) Operational Evaluation, (2) Data Acquisition, (3) Feature Extraction, and (4) Statistical Model Development for Feature Discrimination. When one attempts to apply this paradigm to data from 'real-world' structures, it quickly becomes apparent that data cleansing, normalization, fusion and compression, which can be implemented with ...
The impact of a single seizure on cognition remains controversial. We hypothesized that a single early life seizure (sELS) on rat post-natal day (P) 7 would alter only hippocampal-dependent...Full Text Available
The future use of single-molecule magnets in applications will require the ability to control and manipulate the spin state and magnetization of the magnets by external means. There are different approaches to this control, one being the modification of the magnets by adsorption of small ligand molecules. In this paper we use iron phthalocyanine supported by an Au(111) surface as a model compound and demonstrate, using x-ray photoelectron spectroscopy and density functional theory, that the spin state of the molecule can be tuned to different values (S #approx# 0, 1/2, 1) by adsorption of ammonia, pyridine, carbon monoxide or nitric oxide on the iron ion. The interaction also leads to electronic decoupling of the iron phthalocyanine from the Au(111) support. (fast track communication)
A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10/sup 0/ with primary energies between 200 eV and 15 keV. The energy resolution ..delta..E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H/sub 2//sup +/ and 4430 eV N/sub 2//sup +/ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths.
A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10"0 with primary energies between 200 eV and 15 keV. The energy resolution #DELTA#E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H_2"+ and 4430 eV N_2"+ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths. (orig.).
The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...
We have studied freshly prepared lysozyme solutions in heavy water for two NaCl concentrations as a function of temperature. Lysozyme solubilities in this solvent are determined by static light scattering. By small angle neutron scattering, we evidence that interactions between lysozyme molecules are characterized by a second virial coefficient A{sub 2} whether the solution is under-saturated or supersaturated. From the variation of A{sub 2} as a function of temperature we have evaluated the enthalpy corresponding to the interaction between lysozyme molecules. We show that the interactions between protein molecules are higher in heavy water than in light water. (authors). 13 refs., 3 figs.
The small-angle X-ray scattering technique was used to determine the intermolecular structure and interaction potentials in oxi-and deoxi-hemoglobin solutions. The pair correlation function obtained by the ZERNICKE-PRINS equation characterizes the intermolecular structure of the hemoglobin molecules. The intermolecular structure is concentration dependent. The hemoglobin molecules have a 'short range order structure' with a range of about 4 molecule diameters at 324 g/l. The potential functions of the hemoglobin-hemoglobin interaction have been determined on the basis of fluid theories. Except for the deoxi-hemoglobin solution having the concentration 370 g/l, the pair interaction consists in a short repulsion and a weak short-range attraction against kT. The potential minimum is between 1.2 - 1.5 nm above the greatest hemoglobin diameter. (author).
(TSM-TTP)(I3)5/3 is a 1/6 -filled one-dimensional system composed of an extended donor molecule which has two tetrathiafulvalene (TTF) units in a molecule, where TSM-TTP is 2,5-bis[4,5-bis(methylseleno)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalene. Nonlinear conductivity is observed in the insulating state below 20K , and the metallic state is restored above a very small threshold electric field of 0.3V/cm at 4.2K . The extremely sensitive nonlinearity is ascribed to the inhomogeneous insulating state generated by the weak and disordered anion potentials on the otherwise highly conducting intramolecular charge order state in the double-TTF molecule.
The cephalosporin class antibacterial agent, cefazolin, was intercalated into layered double hydroxides (LDHs) in order to improve the drug efficiency as well as to achieve the controlled release property. Cefazolin molecules were incorporated into LDH through conventional ion exchange reaction. X-ray diffraction pattern analyses confirmed that cefazolin molecules were intercalated between the interlayer spaces of LDH. Fourier-transform infrared spectra and high performance liquid chromatographs clearly showed that the drug molecules were stabilized in LDH lattice through electrostatic interaction and released without any changes in their chemical integrity. Antibacterial activity of the cefazolin-LDH nanohybrid was also examined by an in vitro test, such as the minimal inhibitory concentr...
Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.
Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.
We investigate quantum mechanical electron transport along the long axis of the DNA molecule using an effective tight-binding model. The overall contour plot of transmission, the current-voltage characteristics, and the differential conductance are examined for the variation of backbone onsite energy, the energy-dependent hopping strength, and the contact coupling between the leads and the DNA molecule. It is shown that as backbone asymmetry increases, the merging and collapse of the two mini-bands take place and an extra resonance peak in the transmission appears. In addition, we present the modulation of voltage threshold in the current-voltage curves and a double-peak structure in the differential conductance due to the disappearance of the merged mini-band. Finally, in the Coulomb bloc...
The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).
A classical model is presented for magnetic field-induced Wigner crystallization in electron systems confined within two-dimensional quantum dots. In contrast to other classical models, this one does not treat an electron as a point charge; the electron density is assumed to take a Gaussian form corresponding to the lowest Landau level. Using a Monte Carlo method we have determined the equilibrium configurations as functions of the magnetic field. We have found a classical counterpart of the quantum maximum density droplet (MDD) and studied the breakdown of the MDD into a Wigner molecule as well as the transformations of the Wigner molecule shape induced by the external magnetic field. The phase diagram for the classical Wigner molecules has been presented and its qualitative agreement with previous quantum mechanical calculations has been shown.
Spin-lattice relaxation rates of protein and water protons in dry and hydrated immobilized bovine serum albumin were measured in the range of 1H Larmor frequency from 10 kHz to 30...Full Text Available
BackgroundGreen tea consumption has been shown to have cancer preventive qualities. Among the constituents of green tea, (-)-Epigallocatechin-3-O-gallate (EGCG)...Full Text Available
We describe a novel 13C enriched precursor molecule, sodium 1-13C acetylenedicarboxylate, which after hydrogenation by PASADE-NA (Parahydrogen and Synthesis Allows Dramatically...Full Text Available
Reactive oxygen species (ROS), inevitable byproducts of aerobic metabolism, are known to cause oxidative damage to cells and molecules. This, in turn, is widely accepted as a pivotal determinant of...Full Text Available
The effect of Escherichia coli lipopolysaccharide (LPS) on the expression of major histocompatibility complex (MHC) class II molecules by bovine mammary macrophages was examined. The ability of LPS-treated...Full Text Available
The LW blood group antigens reside on a 42-kDa erythrocyte membrane glycoprotein that was purified by immunoaffinity and partially sequenced. From this information, a specific PCR-amplified DNA fragment...Full Text Available
Trace gas molecules absorb specific wavelengths of incoming solar ... These data(with information collected from similar experiments carried on balloons, rockets, ... The ATMOS sensor instrumentis a state-of-the-art version of a 19th century ...
In the absence of a vaccine, there is an urgent need for the development of safe and effective topical microbicides to prevent the sexual transmission of human immunodeficiency virus type 1 (HIV-1)....Full Text Available
Interactions between presynaptic and postsynaptic cellular adhesion molecules (CAMs) drive synapse maturation during development. These trans-synaptic interactions are regulated by alternative splicing...Full Text Available
Potassium atoms in selected high-lying np Rydberg states (80 #<=# n #<=# 400) are being used as a tool to examine electron-polar molecule collisions at ultra-low energies (#approx#80 #mu#eV - 1 meV). This energy regime has not been investigated previously and is of interest because the corresponding electron de Broglie wavelength is large, #approx#1300 - 330 Angstrom, and because the collision time is comparable to the period of molecular rotation. A variety of target molecules has been studied, including simple rotors such as HF, and more complex species such as NH_3, CH_3I, CH_2Br_2 and C_6H_5NO_2. These targets encompass a range of dipole moments and rotational behavior, but analysis of the data shows that in each case the cross section #sigma#(#epsilon#) for rotationally-inelastic electron-polar molecule scattering varies approximately as 1/#epsilon# where #epsilon# is the electron energy. Such threshold behavior ...
The second messenger signaling molecule bis-(3′-5′)-cyclic dimeric guanosine monophosphate (c-di-GMP) regulates many processes in bacteria, including motility, pathogenesis,...Full Text Available
On rod disc membranes, single photoactivated rhodopsin (R*) molecules catalytically activate many copies of the G-protein (Gt), which in turn binds and activates the effector (phosphodiesterase). We...Full Text Available
Beta silicon carbide is an excellent candidate semiconductor material for demanding applications in high power and high temperature electronic devices due to its high breakdown voltage, relatively large band gap, high thermal conductivity and high melting...
The neonatal Fc receptor FcRn provides IgG molecules with their characteristically long half-lives in vivo by protecting them from intracellular catabolism and then returning them to...Full Text Available
Systemic chemotherapy has been relatively ineffective in the treatment of malignant brain tumors even though systemic chemotherapy drugs are small molecules that can readily extravasate across the porous...Full Text Available
Nucleic acids are molecules of choice for both established and emerging nanoscale technologies. These technologies benefit from large functional densities of ‘DNA processing elements’...Full Text Available
We have measured the forward and reverse rates of the allosteric transition of hemoglobin A with three CO molecules bound by using modulated excitation coupled with fluorescence quenching of the DPG...Full Text Available
Phenazines are redox-active small molecules that play significant roles in the interactions between pseudomonads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa...Full Text Available
The objective of this study was to determine if inflammatory tolerance and enhancement of innate immune function could be induced by the gram-positive cell wall component peptidoglycan (PGN)....Full Text Available
The analysis of individual molecules is evolving into an important tool for biological research, and presents conceptually new ways of approaching experimental design strategies. However, more...Full Text Available
BackgroundGene promoters can be in various epigenetic states and undergo interactions with many molecules in a highly transient, probabilistic and combinatorial way, resulting in...Full Text Available
Borrelia burgdorferi produces potent cell-activating molecules capable of stimulating polyclonal proliferation and immunoglobulin production by murine B lymphocytes and cytokine production by a variety...Full Text Available
The bulk alignment of actin filament sliding movement, powered by randomly oriented myosin molecules, has been observed and studied using an in vitro motility assay. The well established,...Full Text Available
Various hypotheses have been proposed to explain the molecule processes of sarcomere assembly, partially due to the lack of systematic genetic studies of sarcomeric genes in an in vivo...Full Text Available
Microglia provide immune surveillance for the brain through both the removal of cellular debris and protection against infection by microorganisms and “foreign” molecules. Upon...Full Text Available
The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available
E-cadherin is the primary cell adhesion molecule within the epithelium, and loss of this protein is associated with a more aggressive tumour phenotype and poorer patient prognosis in many cancers. Loss...Full Text Available
To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available
Exosomes are small membrane vesicles secreted from various types of cells. Tumor-derived exosomes contain MHC class I molecules and tumor-specific antigens, receiving attention as a potential cancer...Full Text Available
The phenomenon of antibiotic resistance has created a need for the development of novel antibiotic classes with non-classical cellular targets. Unfortunately, target-based drug discovery against...Full Text Available
In regions of high bone loading, the mechanoresponsive osteocytes inhibit osteoclastic bone resorption by producing signaling molecules. One possible candidate is matrix extracellular phosphoglycoprotein...Full Text Available
In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is pointed out that swarm ...
The nicotinic acetylcholine receptor (AChR) controls signal transmission between cells in the nervous system. Abused drugs such as cocaine inhibit this receptor. Transient kinetic investigations indicate...Full Text Available
The human immunodeficiency virus type 1 (HIV-1) packages its genomic RNA as a dimer of homologous RNA molecules that has to be selected among a multitude of cellular and viral RNAs. Interestingly, spliced...Full Text Available
Supercoiled double-stranded DNA molecules (plasmids) were isolated from plants infected with three laboratory strains of western aster yellows mycoplasma-like organism (AY-MLO) by using cesium chloride-ethidium...Full Text Available
To analyse the binding of sugar chains to proteins, viruses and cells, the surface plasmon resonance (SPR) technique is very convenient and effective because it is a real-time, non-destructive detection...Full Text Available
Progress is reported in the following subject areas: (1) chemistry of the arogenate molecule; (2) plant enzymology at the organismal level; (3) isolation of regulatory mutants in tobacco; and (4) stability of the haploid state in Nicotiana sylvestris.
The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results as a reference, the ...
The binding of amphiphilic molecules to lipid bilayers is followed by 19F NMR using chemical shift and line shape differences between the solution and membrane-tethered states of...Full Text Available
Background: CD1d belongs to a family of antigen presenting molecules that are structurally and distantly related to the classic major histocompatibility complex class I (MHC I)...Full Text Available
Explosives molecules have a number of unique properties. These properties are discussed. They include low vapor pressures, electronegativity, ''stickiness,'' frangibility, and thermal instability. The program for developing an advanced explosives detector is described.
The p21-activated kinases (PAKs), immediate downstream effectors of the small G-proteins of the Rac/cdc42 family, are critical mediators of signaling pathways regulating cellular behaviors and...Full Text Available
Myocarditis, often initiated by viral infection, may progress to autoimmune inflammatory heart disease, dilated cardiomyopathy and heart failure. Although cardiac myosin is a dominant autoantigen...Full Text Available
A high-throughput assay for enzyme activity has been developed that is reaction independent. In this assay, a small-molecule yeast three-hybrid system is used to link enzyme catalysis to transcription...Full Text Available
BackgroundCardiovascular disease (CVD) is a leading cause of mortality in the United States as well as globally. Epidemiological studies show that regular fruit and vegetable consumption...Full Text Available
The malaria parasite Plasmodium falciparum utilizes molecules present on the surface of uninfected red blood cells (RBC) for rosette formation, and a dependency on ABO antigens has...Full Text Available
CSV consists of a very complex of molecules and demonstrates significant cellular activities capable of stimulating immune functions in vivo. The purpose of this study was to analyze the effects of...Full Text Available
Tetherin (BST2/CD317) has been recently recognized as a potent interferon-induced antiviral molecule that inhibits the release of diverse mammalian enveloped virus particles from infected cells. By...Full Text Available
Antisense radiopharmaceuticals could be used to image gene expression in the brain in vivo, should these polar molecules be made transportable through the blood–brain barrier....Full Text Available
BackgroundNormal and pathological processes entail the production of oxidative substances that can damage biological molecules and harm physiological functions. Organisms have evolved...Full Text Available
Functionalizing of single molecules on surfaces has manifested great potential for bottom-up construction of complex devices on a molecular scale. We discuss the growth mechanism for the initial layers...Full Text Available
Biological membranes are lamellar structures composed of two leaflets capable of supporting different mechanical stresses. Stress differences between leaflets were generated during micromechanical experiments...Full Text Available
The primary method for neuronal communication involves the extracellular release of small molecules that are packaged in secretory vesicles. We have developed a platform to separate, lyse, and...Full Text Available
Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.
Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.
Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments and the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.
A new coumarin-based sensor molecule (L1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response.
Recent developments in the analysis of Mira atmosphere, the determination of the pulsation mode, the problem of mass loss, and the evolution of the Mira variables are covered. Model atmospheres for Mira variables, including the opacities of the molecules expected in very late M-type atmospheres are discussed. The pulsation constant for Omicron Ceti is evaluated using T(eff) = 2900 + or - 200 K, and it is concluded that Miras are fundamental mode pulsators. The importance of molecular opacity to the driving of mass loss is evaluated, and it is pointed out that the radiation pressure on molecules is not a major factor in driving mass loss from Mira. Mass loss is considered as a factor in the calculations of the periods for Mira variables. 30 refs.
Abstract Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from th...
We present recent results obtained in the Toulouse's group that deal with proton to base and nucleoside interactions. We stress the weakness of the sugar part in the nucleoside, i.e. the uridine molecule under scrutiny. Since some parts of the fragmentation spectrum correspond to the fragmentation of a 'pure' uracil molecule, i.e. the RNA base, an 'additivity rule' seems to prevail for the nucleoside, something that still has to be confirmed. Moreover, some results that deal with the secondary electronic emission from uracil are also displayed.
The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.
The total area (s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids (V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.
The total area ( s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids ( V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.
Resonant scattering of atoms with formation of the Feshbach resonance in the presence of a laser radiation coupling the levels of two bound atoms (a molecule) is considered. The laser field leads to a second resonance in scattering and broadening of resonances, which facilitates the possibility of experimental observation of asymmetry of the total scattering cross-section arising because of interference between resonant and potential scatterings. The effects associated with interference of the two channels of decay of a bound system of two atoms (a molecule) in the laser field are studied. An expression is obtained for the scattering length in collision of two cold atoms in the field of laser radiation.
Lanthanide-ion doped oxide nanoparticles were functionalized for use as fluorescent biological labels. These nanoparticles are synthesized directly in water which facilitates their functionalization, and are very photostable without emission intermittency. Nanoparticles functionalized with guanidinium groups act as artificial toxins and specifically target sodium channels. They are individually detectable in cardiac myocytes, revealing a heterogeneous distribution of sodium channels. Functionalized oxide nanoparticles appear as a novel tool particularly well adapted to long-term single-molecule tracking.
The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.
The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.
The interaction between N-donor adsorbates such as ammonia and pyridine with Cu(II)-exchanged montmorillonite, beidellite, flourohectorite into smectite clays has been studied by electron spin resonance. Cu(II) cations exchanged into smectites coordinate five ammonia or pyridine molecules in beidellite, four ammonia of pyridine molecules in hydroxyhectorite. Thus, the Cu(II) cations bound to the interior surfaces of these smectite clays constitute strong Lewis acid sites. 26 refs., 7 figs., 1 tab.
One of the keystones of the canceled BTeV experiment (proposed at Fermilab's Tevatron) was its sophisticated three-level trigger. The trigger was designed to reject 99.9% of light-quark background events and retain a large number of B decays. The BTeV Pixel Detector provided a 3-dimensional, high resolution tracking system to detect B signatures. The Level 1 pixel detector trigger was proposed as a two stage process, a track-segment finder and a vertex finder which analyzed every accelerator crossing. In simulations the track-segment finder stage outputs an average of 200 track-segments per accelerator crossing (2.5MHz). The vertexing stage finds vertices and associates track-segments with the vertices found. This paper proposes a novel adaptive pattern recognition model to find the number and the estimated location of vertices, and to cluster track-segments around those vertices. The track clustering and vertex finding is done in parallel. The pattern ...
The surveillance systems have been widely used in automatic teller machines (ATMs), banks, convenient stores, etc. For example, when a customer uses the ATM, the surveillance systems will record his/her face information. The information will help us understand and trace who withdrew money. However, when criminals use the ATM to withdraw illegal money, they usually block their faces with something (in Taiwan, criminals usually use safety helmets or masks to block their faces). That will degrade the purpose of the surveillance system. In previous work, we already proposed a technology for safety helmet detection. In this paper, we propose a mask detection technology based upon automatic face recognition methods. We use the Gabor filters to generate facial features and utilize geometric analysis algorithms for mask detection. The technology can give an early warning to save-guards when any "customer" or "intruder" blocks his/her face information with a mask. Besides, ...
Digital libraries play a crucial role in distance learning. Nowadays, they are one of the fundamental information sources for the students enrolled in this learning system. These libraries contain huge amount of instructional data (text, audio and video) offered by the distance learning program. Organization of the digital libraries is therefore very important for easy and fast access to the desired information. Improper categorization of data may mislead the students searching the library. Since manual categorization of huge amount of data might be challenging, an automatic and reliable method is needed. In this sense, this paper proposes an automated categorization scheme for digital libraries in distance learning. The categorization scheme is designed and developed by a pattern recognition approach. Effectiveness of the proposed scheme is evaluated on widely used Reuters database. The results of the experimental study verify that the proposed scheme is ...
We describe a method for affinity purification of sequence-specific DNA binding proteins that is fast and effective. Complementary chemically synthesized oligodeoxynucleotides that contain a recognition site for a sequence-specific DNA binding protein are annealed and ligated to give oligomers. This DNA is then covalently coupled to Sepharose CL-2B with cyanogen bromide to yield the affinity resin. A partially purified protein fraction is combined with competitor DNA and subsequently passed through the DNA-Sepharose resin. The desired sequence-specific DNA binding protein is purified because it preferentially binds to the recognition sites in the affinity resin rather than to the nonspecific competitor DNA in solution. For example, a protein fraction that is enriched for transcription factor Sp1 can be further purified 500- to 1000-fold by two sequential affinity chromatography steps to give Sp1 of an estimated 90% homogeneity with 30% yield. ...
Benzene molecules , present in the proto-planetary nebula CRL 618, are ionized and dissociated by ultraviolet (UV) and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time-of-flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum UV (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C_6H_6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to C-rays. Partial ion ...
Bubbly and slug flows have been analyzed using the afore-mentioned techniques. An image series of bubbly-slug flow is shown. The image separation time is 17 ms, and the total flow length is {approx} 10 cm. A circular eddy pattern that follows the slug can be readily seen and tracked, although reliability is low due to motion in the transverse direction. This motion also adds considerable error to the velocity measurements using image recognition technique. This will increase the reliability and accuracy of the tracking method.
The United States Department of Energy (DOE) is committed to providing high quality products that satisfy customer needs and are the associated with this goal, DOE personnel must possess the knowledge, skills, and abilities to ensure successful job performance. In addition, there must be recognition that the greatest obstacle to proper project performance is inadequate project definition. Without strong project definition, DOE environmental management efforts are vulnerable to fragmented solutions, duplication of effort, and wastes resources. The primary means of ensuring environmental management projects meet cost and schedule milestones is through a structured and graded approach to project definition, which is the focus of this handbook.
Similarity searching finds application in a wide variety of domains including multilingual databases, computational biology, pattern recognition and text retrieval. Similarity is measured in terms of a distance function edit distance in general metric spaces, which is expensive to compute. Indexing techniques can be used reduce the number of distance computations. We present an analysis of various existing similarity indexing structures for the same. The performance obtained using the index structures studied was found to be unsatisfactory . We propose an indexing technique that combines the features of clustering with M tree(MTB) and the results indicate that this gives better performance.
The fission fragments from spontaneous fission of 252Cf have been measured with the spectrometric and position-sensitive semiconductor pixel detector Medipix2. Fragments are identified by pattern recognition of clusters generated in the Medipix2 pixel matrix sensor upon heavy particle hit. From analysis of cluster area, the distribution of kinetic energy of fission fragments is obtained. Together with a novel USB readout interface, the Medipix2/USB system operates as active nuclear emulsion in single-quantum and on-line tracking mode.
...The RSPB: Birds by family: Owls E-mail to a friendE-newsletterContact us Home England Northern Ireland Scotland Wales About Overview Awards & recognition Contact ...Birds by family PrintHome Birds and wildlife Bird guide Birds by family Owls Owls Owls are specialised birds with round heads and rather flat ...or dished faces, with forward-facing eyes and a short, hooked bill. Most are nocturnal or crepuscular (active at dawn and dusk)... Owls are found all over the temperate and tropical parts of the world. Barn owl With heart shaped face, buff back ...
Visceral hypersensitivity is currently considered a key pathophysiological mechanism involved in pain perception in large subgroups of patients with functional gastrointestinal disorders, including irritable bowel syndrome (IBS). In IBS, visceral hypersensitivity has been described in 20%?90% of patients. The contribution of the central nervous system and psychological factors to visceral hypersensitivity in patients with IBS may be significant, although still debated. Peripheral factors have gained increasing attention following the recognition that infectious enteritis may trigger the development of persistent IBS symptoms, and the identification of mucosal immune, neural, endocrine, microbiological, and intestinal permeability abnormalities. Growing evidence suggests that these factors ...
This chapter reports recent advances in the statistical learning literature that may be of interest for biometrics. In particular we discuss two different algorithmic settings, binary classification and multi-task learning, and analyze the two closely related problems of feature selection and feature learning. In the binary case the theoretical and algorithmic advances to feature selection are applied to solve face detection and face authentication problems. In the multi-task case we show how the data structure described by a group of features common to the various tasks can be effectively learned, and then we discuss how this approach could be used to address face recognition.
The clinical and radiographic features of the intermediate form of osteopetrosis in two sibs are presented in which the disorder appears to have been inherited as a recessive trait. Although this form of osteopetrosis has been poorly delineated, its recognition is practically important in order to give an accurate prognosis. This paper also presents an unusual complication of bilateral avascular necrosis of the femoral head in the younger sib. Radiographic changes of the femoral heads suggest those of Legg-Calve-Perthes disease, though the possibility of avascular necrosis following unrecognized femoral neck fracture is not completely excluded. (orig.).
Marginal fractures of the tibial plateau are associated with a high incidence of soft tissue injuries to the stabilising structures of the knee joint. Injuries to the anterior cruciate ligament are associated with the Segond fracture and impingement fractures of the posteromedial tibial plateau. Recognition of these fractures aids diagnosis of these injuries. Marginal fractures of the tibial plateau associated with posterior cruciate ligament injuries are less common, though recently a ''reverse'' Segond fracture has been recognised. We describe a fracture of the anteromedial tibial plateau associated with complete disruption of the posterior cruciate ligament and posterolateral complex. (orig.)
Resistance and tolerance are two types of host defense mechanisms that increase fitness in response to fungi. Several genetic polymorphisms in pattern recognition receptors, most remarkably Toll-like receptors (TLRs), have been described to influence resistance and tolerance to aspergillosis in distinct clinical settings. TLRs on dendritic cells pivotally contribute in determining the balance between immunopathology and protective immunity to the fungus. Epithelial cells also contribute to this balance via selected TLRs converging on indoleamine-2,3-dioxygenase (IDO). Studies in experimental hematopoietic transplantation confirmed the dichotomy of pathways leading to resistance and tolerance to the fungus providing new insights on the relative contribution of the hematopoietic/nonhematopoi...
Peripheral primitive neuroectodermal tumors (peripheral PNETs) are rare in the abdomen. We report the imaging findings of four peripheral PNETs arising in the abdomen. Three were ill-demarcated tumors and one was a well-demarcated tumor, with extensive local invasion and lymph node metastasis in two cases, respectively. The tumors are of inhomogeneous attenuation and heterogeneous enhancement after intravenous administration of contrast materials. Although their imaging manifestations cannot distinguish them from other sarcomas, recognition of these imaging features may be helpful in suggesting the possibility of peripheral PNETs in some cases.
The International Atomic Energy Agency is undertaking a program for strengthening its safeguards on the recognition that safeguards must give assurance not only of the non-diversion of declared material or that declared facilities are not being misused, but also of the absence of any undeclared nuclear activities in States which have signed comprehensive safeguards agreements with the Agency. The IAEA has determined that the detection of undeclared nuclear activities and the creation of confidence in the continuing peaceful use of declared material and facilities is largely dependent on more information being made available to the Agency and on the capability of the Agency to make more effective use of this additional information, as well as existing information.
Optimization is a powerful paradigm for expressing and solving problems in a wide range of areas, and has been successfully applied to many vision problems. Discrete optimization techniques are especially interesting since, by carefully exploiting problem structure, they often provide nontrivial guarantees concerning solution quality. In this paper, we review dynamic programming and graph algorithms, and discuss representative examples of how these discrete optimization techniques have been applied to some classical vision problems. We focus on the low-level vision problem of stereo, the mid-level problem of interactive object segmentation, and the high-level problem of model-based recognition. PMID:20660950
Two patients with femoral neck fractures, one displaced and one undisplaced, are presented. Preoperative intravital staining with tetracycline and Tc-MDP scintimetry both showed intact femoral head circulation while Tc-MDP-scintimetry 1 week after operation showed pronounced circulatory deficiency. Sr/sup 85/-scintimetry performed at the same time was inconclusive. Segmental collapse was observed radiographically, 8 and 12 months postoperatively. The major vascular injury resulting in avascularity most probably occured during the procedure of osteosynthesis, and Tc-MDP-scintimetry was found suitable for early postoperative recognition of avascular necrosis in both fractures.
Two patients with femoral neck fractures, one displaced and one undisplaced, are presented. Preoperative intravital staining with tetracycline and Tc-MDP scintimetry both showed intact femoral head circulation while Tc-MDP-scintimetry 1 week after operation showed pronounced circulatory deficiency. SR"8"5-scintimetry performed at the same time was inconclusive. Segmental collapse was observed radiographically, 8 and 12 months postoperatively. The major vascular injury resulting in avascularity most probably occured during the procedure of osteosynthesis, and Tc-MDP-scintimetry was found suitable for early postoperative recognition of avascular necrosis in both fractures. (author).
The tet repressor regulated expression of the Tn-10-encoded tetracycline resistance determinant in a tetracycline-dependent manner. In the absence of tetracycline, the tet repressor binds as a dimer to the 19-base-pair palindromic tet operator sequence. Amino acid homologies and genetic studies with trans-dominant mutants suggest that sequence-specific recognition of the tet operator involves the extensively studied helix-turn-helix motif. We have used the uracil-DNA glycosylase (UDG) footprinting systems to identify thymine contacts in the tet operator that are essential for the formation of tet repressor-operator complexes.
Purpose: To determine the rankings of 6 input-output functions for understanding low-level, conversational, and high-level speech in multitalker babble without manipulating volume control for listeners with normal hearing, flat sensorineural hearing loss, and mildly sloping sensorineural hearing loss. Method: Peak clipping, compression limiting, and 4 wide dynamic range compression (WDRC) input-output functions were compared in a repeated-measure design. Interactions among the compression characteristics were minimized. Speech and babble were processed and recorded at 3 input levels: 45, 65, and 90 dB sound pressure level. Speech recognition of 3 groups of listeners (n = 6/group) was tested for speech processed by each input-output function and at each input level. Results: Input-output functions that made low-level speech audible and high-level speech less distorted by avoiding peak clipping or severe compression yielded higher speech ...
RangerMaster{trademark} is the embedded firmware for Quantrad Sensor`s integrated nuclear instrument package, the Ranger{trademark}. The Ranger{trademark}, which is both a gamma-ray and neutron detection system, was originally developed at Los Alamos National Laboratory for in situ surveys at the Plutonium Facility to confirm the presence of nuclear materials. The new RangerMaster{trademark} software expands the library of isotopes and simplifies the operation of the instrument by providing an easy mode suitable for untrained operators. The expanded library of the Ranger{trademark} now includes medical isotopes {sup 99}Tc, {sup 201}Tl, {sup 111}In, {sup 67}Ga, {sup 133}Xe, {sup 103}Pa, and {sup 131}I; industrial isotopes {sup 241}Am, {sup 57}Co, {sup 133}Ba, {sup 137}Cs, {sup 40}K, {sup 60}Co, {sup 232}Th, {sup 226}Ra, and {sup 207}Bi; and nuclear materials {sup 235}U, {sup 238}U, {sup 233}U, and {sup 239}Pu. To accomplish isotopic identification, a simulated spectrum for each of the ...
Measurements of the relaxation of the D{sub 2}O stretch mode in vitreous As{sub 2}S{sub 3} are presented. Because the bending mode of the molecule offers an intra-molecular decay channel for the stretch mode, the decay scheme of the D{sub 2}O molecule is more complex than that of diatomic molecules. The asymmetric stretch mode of D{sub 2}O has a frequency of 2680 cm{sup -1}. To study the relaxation of this mode we applied a pump-probe technique, using intense psec; pulses of the Stanford Free Electron Laser. Due to the small cross-section of the vibrational mode, successful efforts were made to improve the signal to noise ratio by using a laser stabilization system and a tightly focused beam to increase the intensity, by averaging the signal with a kHz repetition rate and by using samples with an optimized D{sub 2}O concentration. A rapid relaxation rate on the order of 5 x 10{sup 9} sec{sup -1} at low temperature is found ...
The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A ...
The process operation of the hot wall vapor deposition method, formation of dry organic thin film and the control of molecular arrangement were described. This equipment included a substrate on the upper end of the hot wall tube and the vapor source at the lower end. The remarkable features are the hot wall tube which plays the role to hold vaporizing molecules to the high temperature and to transport molecules, and the flip flop mechanism which gives some idle period for the molecular vaporization by shutter closing. Several experiments were carried out by using stearic acid and by changing the distance S from the upper end of hot wall quartz tube to the substrate, the furnace temperature T{sub f} and the substrate temperature T{sub s}. When T{sub f} is equal to or less than the melting point of stearic acid, molectles are preferentialy made to vertical arrangement. In the case of T{sub f} more than the melting point, the molecular rate of the ...
This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium ...
Decay processes of H{sub 2}{sup -} anions in {gamma}-rays-irradiated solid parahydrogen were studied by using ESR spectrometer. The following interesting results were obtained. First, the initial amount of ortho-H{sub 2}{sup -} anions in the {gamma}-irradiated solid parahydrogen was three times as large as those of para-H{sub 2}{sup -} anions. Second, the amount of para-H{sub 2}{sup -} anions decreases faster than that of ortho-H{sub 2}{sup -} anions upon storage of the irradiated samples at 4.2 K. Third, the decay rate of H{sub 2}{sup -} anions is accelerated by the addition of D{sub 2} molecules. Forth, H{sub 2}{sup -} anions at 2.2 K decay faster than at 4.2 K. According to the parity conservation rule in a homonuclear diatomic molecule, the energy of ortho-H{sub 2}{sup -} anions at the ground state is lower than that of para-H{sub 2}{sup -} anions, whereas that of ortho-H{sub 2} molecules is higher than that of ...
The performance of intermolecular potential models on the adsorption of benzene on graphitized thermal carbon black at various temperatures is investigated. Two models contain only dispersive sites, whereas the other two models account explicitly for the dispersive and electrostatic sites. Using numerous data in the literature on benzene adsorption on graphitized thermal carbon black at various temperatures, we have found that the effect of surface mediation on interaction between adsorbed benzene molecules must be accounted for to describe correctly the adsorption isotherm as well as the isosteric heat. Among the two models with partial charges tested, the WSKS model of Wick et al. that has only six dispersive sites and three discrete partial charges is better than the very expensive all-atom model of Jorgensen and Severance. Adsorbed benzene molecules on graphitized thermal carbon black have a complex orientation with respect to distance from ...
An outline is given of time-dependent wavepacket methods as applied to calculations of molecular collisions with solid surfaces. The methods reviewed include numerical integration algorithms for the time-dependent Schroedinger equation, semiclassical wavepacket treatments, and approximations that treat some of the degrees-of-freedom quantum-mechanically and others classically. The computational and numerical characteristics of these methods are discussed, with emphasis on their particular advantages and relevance in the context of certain molecule/surface scattering problems. For the semiclassical and mixed quantal-classical treatments, the approximation errors and their physical origins are discussed. For the quantum wavepacket techniques a numerical error analysis is presented. The computational efficiency of the various algorithms is considered and examined in the context of several applications. The main focus is on diffractive scattering of atoms and light ...
Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements ...
The high-energy radiation-induced degradation of an H-acid derivative azo dye, Apollofix-Red SF-28 (AR-28) was studied in aqueous solution by using pulse radiolysis with kinetic spectroscopic detection for transient measurements. Gamma radiolysis with UV-VIS spectroscopy and gradient ionpair HPLC separation with diode array detection were applied for following the destruction of AR-28 and measuring the products. The reactions of hydrated electron (e_a_q "-) and hydroxyl ("#centre dot#OH) radical were investigated separately. "#centre dot#OH reacts with the unsaturated bonds of the molecule. In the further reactions of the "#centre dot#OH adduct radicals, the AR-28 molecules partly reform with a slightly modified structure. The products formed in the first reaction of "#centre dot#OH and AR-28 molecules have also high reactivity towards the "#centre dot#OH radicals. For these reasons the efficiency of "#centre dot#OH ...
This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore walls can attack passing ...
The high resolution spectrum of the parahydrogen Q{sub 3}(0) transition at 11758 cm{sup -1} has allowed specific quantum state assignment of the ten lines which compose this transition. The transition cannot occur unless a dipole moment is induced in the parahydrogen by an external field. The quadrupole field of an impurity o-H{sub 2} molecule provides this field, and the transition occurs in the orientationally dependent field of the orthohydrogen molecule. Transitions induced by the quadrupolar field of the J=1 H{sub 2} in the nearest neighbor as well as in the next nearest neighbor shells have been observed. By lowering the impurity orthohydrogen concentration, the authors have observed lines with linewidths of approximately 15 MHz hwhm with a Ti:Sapphire laser having a sensitivity of 3x10{sup -5} ({Delta}I/I) using the toneburst method. Additionally, the second vibrational overtone of the impurity orthohydrogen molecule ...
Glycosaminoglycan synthesis by two subpopulations of a mouse mammary tumor cell line was compared. The two sublines express distinctly different growth characteristics in vitro and in vivo which indicate differences in growth regulation. Newly made glycosaminoglycans were recovered from the culture media, the cell surfaces, and residual cellular material. The cell population which grows more aggressively in vivo (+SA subline, a subline that grows in soft agarose) incorporated about 8 times more (/sup 14/C)glucosamine per cell into total glycosaminoglycans than did the slower-growing population (-SA subline, which does not grow in soft agarose). Appropriate control experiments indicated that the apparent difference in rates of synthesis was not due to discrepancies in glucosamine uptake. The main residual cellular molecule labeled was heparan sulfate, but the predominant molecule at the cell surface and in the culture fluid was hyaluronic acid. ...
Enthalpy relaxation properties of the ethylene glycol (EG) aqueous solutions confined within silica-gel void spaces of 1.1 nm in the average void thickness and 6, 12 and 52 nm in their average diameters were examined by an adiabatic calorimetry to understand the glass transition behavior of the solutions and the rearrangement processes of the molecules. The glass transition temperature Tg of EG was found to decrease with adding the water molecules which are mobile under the condition lacking in the full hydrogen-bond network. Meanwhile, the Tg in the water-rich region showed a rise towards pure water; after a phase separation in a 25 mol% (x = 0.25) EG solution, the Tg was 160 K which was higher than that derived by extrapolating the composition dependence to pure water. The Tg = 160 K is the same as observed in the pure water confined within 1.1 nm voids; this indicates the validity of the interpretation that the glass transition at 160 K of ...
Using stoichiometrically controlled 1:1 functionalization of gold nanoparticles with fluorescent dye molecules in which the dye molecule is held away from the particle surface by a rigid DNA spacer allows precise determination of the distance-dependent effect of the metal nanoparticles on fluorescence intensity. Two dyes were studied, Cy3 and Cy5, with two sizes of nanoparticles, 5 and 10 nm. The larger the particle, the more quenching of the photoluminescence (PL) intensity, due to increased overlap of the dye's emission spectrum with the Au surface plasmon resonance. Fluorescence is quenched significantly for distances somewhat larger than the particle diameter, in good agreement with the predictions of an electrodynamics model based on interacting dipoles. The distance dependence of surface energy transfer behavior, i.e. quenching efficiency, is proportional to 1/d4, which involves no consideration of the size of the particle and the ...
The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst ...
The ability to feed on vertebrate blood has evolved many times in various arthropod clades. Each time this trait evolves, novel solutions to the problem posed by vertebrate hemostasis are generated. Consequently, saliva of blood-feeding arthropods has proven to be a rich source of antihemostatic molecules. Vasodilators include nitrophorins (nitric oxide storage and transport heme proteins), a variety of peptides that mimic endogenous vasodilatory neuropeptides, and proteins that catabolize or sequester endogenous vasoconstrictors. A variety of platelet aggregation inhibitors antagonize platelet responses to wound-generated signals, including ADP, thrombin, and collagen. Anticoagulants disrupt elements of both the intrinsic and extrinsic pathways. Molecular approaches (termed 'sialomics') to characterize the full inventory of mRNAs transcribed in salivary glands have revealed a surprising level of complexity within a single species. Multiple salivary proteins may be ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.
Total (elastic+inelastic) cross sections for electron impact on FeO, Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} have been calculated in the energy range 20-5000 eV by employing the additivity rule which expresses the total cross section of a molecule as an incoherent sum over the total cross sections of the constituent atoms of the molecule. The electron-atom cross sections have been obtained by a complex optical potential method through partial-wave analysis. The total cross sections for all the oxides of iron exhibit a maximum around 30 eV. The inelastic cross sections are upper bounds to the corresponding ionisation cross sections. Bethe parameters for inelastic cross sections are given. ((orig.))
In virtually all forms of life on earth, proteins in each cell are made according to a genetic blueprint, in the form of DNA. The translation of copies of this genetic blueprint (in the form of messenger RNA) into polypeptides is performed on the ribosome, a highly complex molecular machine composed of RNAs and proteins. To this end, special adaptor molecules called transfer RNAs are lined up by the ribosome in the sequence dictated by the genetic code, such that the amino acids carried by these molecules can be linked into a polypeptide. Several cofactors are involved in these processes, some of which require energy freed up by GTP hydrolysis. Although the ribosome was discovered more than 50 years ago, its structure has only been solved recently by X-ray crystallography. Another technique, cryo-electron microscopy, is starting to contribute toward our understanding of the ribosome's function, by portraying its conformational changes ...
The extraction-spectrophotometric method has been used to study lanthanoid ion complexing (Pr, Nd, Ho and Er) with antipyrine (Ant) and salicylic acid (Sal). The component relationship in different-ligand compounds Ln:Aut:Sal=2:3:6 and solvate number equal to 5 are determined; molar extinction coefficients of binary and different-ligand compounds are calculated. Oscillator strengths of absorption bands corresponding to supersensitive transitions of neodymium, holmium, erbium and some most intensive praseodymium bands are calculated. The study of IR spectra of investigated compounds allows to conclude on formation of coordination bonds of the central atom with the antipyrine molecule through the oxygen of the carbonyl group as well as on carboxyl group hydrogen substitution for metal and formation of coordination bond with OH group in salicylic acid molecules.
The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.
Spatial Fluorescence Cross Correlation Spectroscopy is a rarely investigated version of Fluorescence Correlation Spectroscopy, in which the fluorescence signals from differ-ent observation volumes are cross-correlated. In the reported experiments, two observation volumes, typically shifted by a few $\\mu$m, are produced, with a Spatial Light Modulator and two adjustable pinholes. We illustrated the feasibility and potentiality of this technique by: i) measuring molecular flows, in the range 0.2 - 1.5 $\\mu$m/ms, of solutions seeded with fluorescent nanobeads or rhodamine molecules (simulating active transport phenomenons); ii) investigating the perme-ability of phospholipidic membrane of Giant Unilamellar Vesicles versus hydrophilic or hydrophobic molecules (in that case the laser spots were set on both sides of the mem-brane). Theoretical descriptions are proposed together with a discussion about FCS based, alternative methods.
A brief survey is presented of the methods of preparation and of the applications of radiopharmaceuticals labelled with short-lived positron radionuclides "1"1C, "1"8F, "1"3N and "1"5O which, thanks to their energy level schemes, short half-life and the 511 keV photon radiation energy are almost ideal tracers in modern nuclear medicine and pharmacology. In conjunction with computerized tomography, they represent one of the most sensitive diagnostic imaging methods, the so-called positron emission tomography. In addition, their incorporation in the molecule of a pharmaceutical does not change the biological and chemical properties of the original molecule unlike those of radiopharmaceuticals labelled with technetium, iodine, etc. (author). 125 refs.
Phospholipase D (PLD) has been recognized as a regulator of cell proliferation and tumorigenesis, but little is known about the molecules regulating PLD expression. Thus, the identification of small molecules inhibiting PLD expression would be an important advance in PLD-mediated physiology. Quercetin, a ubiquitous bioactive flavonoid, is known to inhibit proliferation and induce apoptosis in a variety of cancer cells. In the present study, we examined the effect of quercetin on the expression of PLD in U87 glioma cells. Quercetin significantly suppressed the expression of PLD1 at the transcriptional level. Moreover, quercetin abolished the protein expression of PLD1 in a time and dose-dependent manner, as well as inhibited PLD activity. Quercetin suppressed NFkB-induced PLD1 expression vi...
Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.
Recently, we cloned purpurin cDNA as an upregulated gene in the axotomized fish retina. The retina-specific protein was secreted from photoreceptors to ganglion cell layer during an early stage of optic nerve regeneration in zebrafish retina. The purpurin worked as a trigger molecule for axonal regrowth in adult injured fish retina. During zebrafish development, purpurin mRNA first appeared in ventral retina at 2 days post-fertilization (dpf) and spread out to the outer nuclear layer at 3 dpf. Here, we investigated the role of purpurin for zebrafish retinal development using morpholino gene knockdown technique. Injection of purpurin morpholino into the 1-2 cell stage of embryos significantly inhibited the transcriptional and translational expression of purpurin at 3 dpf. In the purpurin mo...
The cover picture shows the fertile combination of synthetic chemistry and experimental physics, both permanently making central contributions to hot scientific topics in spite of being classical scientific disciplines with long-standing traditions. The displayed scientist struggles with the synthesis of cruciform structures (displayed on the black board) for single-molecule-transport investigations in a mechanically controlled break junction setup (sketched in the inset at the upper right corner). More information on the design and synthesis of the cruciform structures, such as their immobilization experiments, is found in the article by M. Calame, M. Mayor et al. on p. 833 ff. Serafin Pazdera is greatly acknowledged for the cover artwork.
The thermodynamic characteristics of adsorption (TCA) on the basal face of graphite have been calculated in terms of the semiempirical molecular statistical theory of adsorption for molecules of O-, S-, and Se-containing heteroadamantanes of different structure and isostructural cyclohexane derivatives. The influence of the nature, number, and position of heteroatoms in the adamantane framework on the TCA values was studied in detail, which made it possible to predict the retention of the compounds considered on the surface of graphitized thermal carbon black under the conditions of equilibrium gas adsorption chromatography. The introduction of each subsequent heteroatom into a polyheteroadamantane molecule makes a non-additive contribution to the TCA values. The contributions of various f...
The separation and the mechanism of retention of ion associates of #alpha#-isomers of molybdic and tungstic heteropoly acids (HPA) of phosphorus(5), silicon(4), and germanium(4) with trioctylamine (TOA) on a column (80x3 mm) packed with Diasorb-130-CN (8 #mu#m) were studied in a flow of chloroform-tetrahydrofuran (THF) and chloroform-n-butanol-TOA mixtures with spectrophotometric detection at 320 nm. It is demonstrated that the adsorption of all the studied ion associates proceeds through the displacement THF molecule from the surface of the stationary phase and without the displacement of TOA molecules. Conditions for the separation of phospho- and silicomolybdic HPA and also phospho- and germanolybdic HPA were found. The chromatographic system using silica gel modified with nitrile groups as the stationary phase is of higher selective than that using ummodified silica gel.
An effect of laser-cooling of water was observed for the first time with a temperature decrease dT = -2.2 K after irradiation of liquid water surface by a powerful Ar-Xe pulse laser with a pulse energy of about 1 J and wavelength L = 1.73, 2.63 and 2.65 um. The discovered effect can apparently be ascribed to the optical excitation of vibrational states of H2O molecules followed by an endothermic consolidation of chemically active excited molecules into a quasi-stable cluster-like structure. The measured time dependences of the cooling effect show that a typical life time of the new state of water amounts to hours. It has also been shown that the life time of the excited vibrational molecular states due to a radiation trapping effect can be estimated to at least hundreds of seconds.
Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.
Investigates polarographically determined capacitative curves of Soviet anthracite (Removsk seam) in solutions of KCl, HCl, phenol, propyl, butyl, amyl and hexyl alcohols. The curves were found to be asymmetric and to raise quickly in their cathode range. Their dependence on electrolyte concentration and displacements of their zero charge points were observed. Displacement values of zero charge potential were tabulated for organic compounds. It was possible to calculate displacements taking the non-uniformity of coal structure into account. It was further possible to assess surface interactions between coal and adsorbed molecules from the viewpoint of molecular energy. Orientation of phenol and alcohol molecules on the coal surface is also pointed out. 10 refs.
This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...
Extraction of hafnium by 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (HL) in benzene, toluene, chloroform and tetrachloromethane from aqueous-alcoholic solutions of the formal acidity of 2M-HClO_4 was studied. Methyl, ethyl, n- and isopropyl, tert-butyl and allyl alcohol as well as ethylene glycol monomethyl ether and propylene glycol were used as organic components of the mixed aqueous-organic phase. Their presence in some cases resulted in a synergic increase in the distribution ratio of hafnium. The increase is interpreted using the results of a slope analysis and measurements of the alcohol distribution and the relative permittivity of the organic phase. It is suggested that HfL_4 molecules were solvated by alcohol molecules in the organic phase. At high alcohol concentration synergism changed into antagonism. This was caused by changes in the distribution of HL and its interaction with the alcohol in the organic phase. (author).
Organic/metal interface properties are of high interest for the application of molecular (sub)monolayers to modify surface properties. They are applied for, e.g., molecular electronics, chemical sensing, or the tuning of injection barriers in organic electronic devices. We present a joint theoretical and experimental study of F{sub 4}TCNQ adsorbed on Cu(111). The electronic and structural properties were determined by ultraviolet photoelectron spectroscopy (UPS) and X-ray standing wave (XSW) measurements. To better understand the complex process of binding, we modelled the system using density-functional theory. We find forward-donation from the lone pairs of the molecule into metallic states and back-donation from the metal into the LUMO of the molecule. The data on Cu(111) are compared to F4TCNQ on Au(111) and Ag(111) as well as to investigations of pyrenetetraone on various coinage metals.
In a sufficiently large cluster of several polar molecules, collective interactions lead to localization or 'solvation' of electrons. The existence of the solvated electron is known since 1863 in liquid ammonia and since 1962 for liquid water. In 1984, electron localization in clusters was experimentally demonstrated in (H_2O)_N_#>=#_1_1 and (NH_3)_N_#>=#_3_4 clusters. In cooperation with K. Bowen, we recently initiated a test of the theory of electron binding by a dipole and a new ground state dipole bound dimer anion, (H_2O..NH_3), was predicted and observed. We here describe results of a search for new dipole-bound and solvated electron systems. (author).
Summation Copper-64 (T1/2?=?12.7 hours; ?+, 0.653?MeV [17.8 %]; ??, 0.579?MeV [38.4 %]) has decay characteristics that allow for positron emission tomography (PET) imaging and targeted radiotherapy of cancer. The well-established coordination chemistry of copper allows for its reaction with a wide variety of chelator systems that can potentially be linked to peptides and other biologically relevant small molecules, antibodies, proteins, and nanoparticles. The 12.7-hours half-life of 64Cu provides the flexibility to image both smaller molecules and larger, slower clearing proteins and nanoparticles. In a practical sense, the radionuclide or the 64Cu-radiopharmaceuticals can be easily shipped for PET imaging studies at sites remote to the production facility. Due to the versatility of 64Cu, ...
During this report period, we have obtained a model of montmorillonite clay, and this model has been of great assistance in visualizing how the chemistry of substrate molecules might be altered as it occurs on the surface of the clay. A stereochemical representation of this montmorillonite model is shown. Of particular significance, this model indicates that hydroxyl groups are located in the center of each siloxane ring on the surface of the montmorillonite clay. These hydroxyl groups might serve to bond substrate molecules to the surface of the clay. The next step in our systematic examination of the radical cation-initiated dimerization of plant monomers from the C{sub 6}-C{sub 3} pool of shikimic acid metabolites was to study the dimerization of cinnamic acid and its derivatives. In the next block of research, we examined the reaction of montmorillonite clay (K-10) with methyleugenol. 2 refs.
A variable gene delivery system has been developed based on conjugating chitosan to biotin through a functionalized poly(ethylene glycol) (PEG) spacer, which can be used to further bind different molecules on the outer layer of a polymer/DNA complex by streptavidin (SA)-biotin linkage. In this study, TAT-conjugated SA was used as the model molecule to prove the conjugation function of the prepared complex. In addition, low-molecular-weight poly(ethyleneimine) (PEI) was added into the polymer/DNA complex to increase the transfection efficiency. The results of the luciferase assay show that the transfection efficiency of the prepared complex was significantly correlated with the amount of PEI and was further enhanced when TAT was conjugated to the complex by SA-biotin linkage. Considered to have negligible cytotoxic effects, the variable gene delivery complex prepared in this study would be of considerable potential as carriers for in vitro ...
Thienyl oxazoles and thienyl isoxazoles, are composite molecules having two subsystems thiophene and oxazole molecules connected together by a single bond that they have 13 isomers. They are potential candidates for many kinds of applications such as OLED and nonlinear optical materials. Initially equilibrium geometries of title compounds have been obtained without any restriction using density functional theory with 6-311++g(2d,p) basis set. We obtained structural parameters, dipole moment and electronic energy. At the second stage, we have calculated some electronic and nonlinear optical properties such as HOMO and LUMO energies, polarizability, anisotropic polarizability and hyper polarizability using same level of theory.
The primary goal of this project is to increase the availability and ease of access to critical data on the Mesaverde and Dakota tight gas reservoirs of the San Juan Basin. Secondary goals include tuning well log interpretations through integration of core, water chemistry and production analysis data to help identify bypassed pay zones; increased knowledge of permeability ratios and how they affect well drainage and thus infill drilling plans; improved time-depth correlations through regional mapping of sonic logs; and improved understanding of the variability of formation waters within the basin through spatial analysis of water chemistry data. The project will collect, integrate, and analyze a variety of petrophysical and well data concerning the Mesaverde and Dakota reservoirs of the San Juan Basin, with particular emphasis on data available in the areas defined as tight gas areas for purpose of FERC. A relational, geo-referenced database (a geographic information system, or GIS) ...
The avalanche quantity of the information developed by mankind has led to concept of automation of knowledge extraction - Data Mining ([1]). This direction is connected with a wide spectrum of problems - from recognition of the fuzzy set to creation of search machines. Important component of Data Mining is processing of the text information. Such problems lean on concept of classification and clustering ([2]). Classification consists in definition of an accessory of some element (text) to one of in advance created classes. Clustering means splitting a set of elements (texts) on clusters which quantity are defined by localization of elements of the given set in vicinities of these some natural centers of these clusters. Realization of a problem of classification initially should lean on the given postulates, basic of which - the aprioristic information on primary set of texts and a measure of affinity of elements and classes.
With the increased usage of dispersion models that require stack top wind information, such as the Complex Terrain Dispersion Model (CTDM), the need for a reliable method to collect elevated wind data has also increased. Doppler Sound Detection and Ranging (SODAR) instruments have gained recognition as a viable means of collecting such data. SODAR technology has improved greatly over the last decade and is now a cost effective alternative to tall meteorological towers. SODARs are remote sensing devices that sample the atmosphere and calculate wind speed and wind direction data at different altitudes. This is accomplished by measuring the doppler shift of an acoustic pulse emitted by a ground level antenna.
We survey a new area of parameter-free similarity distance measures useful in data-mining, pattern recognition, learning and automatic semantics extraction. Given a family of distances on a set of objects, a distance is universal up to a certain precision for that family if it minorizes every distance in the family between every two objects in the set, up to the stated precision (we do not require the universal distance to be an element of the family). We consider similarity distances for two types of objects: literal objects that as such contain all of their meaning, like genomes or books, and names for objects. meaning, like genomes or books, and names for objects. The latter may have literal embodyments like the first type, but may also be abstract like ``red'' or ``christianity.'' For the first type we consider a family of computable distance measures corresponding to parameters expressing similarity according to particular features between pairs of literal ...
Short synthetic single-stranded oligodeoxyribonucleotides (ssODNs) can be used to introduce subtle modifications into the genome of mouse embryonic stem cells (ESCs). We have previously shown that effective application of ssODN-mediated gene targeting in ESC requires (transient) suppression of DNA mismatch repair (MMR). However, whereas transient down-regulation of the mismatch recognition protein MSH2 allowed substitution of 3 or 4 nucleotides, 1 or 2 nucleotide substitutions were still suppressed. We now demonstrate that single- or dinucleotide substitution can effectively be achieved by transient down-regulation of the downstream MMR protein MLH1. By exploiting highly specific real-time PCR, we demonstrate the feasibility of substituting a single basepair in a non-selectable gene. Howev...
This article argues the importance of ensuring initiatives aimed at improving children-s social and emotional well-being are based on sound participatory principles. The discussion posits links between the recognition of children, dialogic approaches to participation, changing conceptualisations of children and childhood, and children-s well-being. It explores these links in light of one particular initiative, Seasons for Growth (Graham, 1996, 2002, Seasons for Growth; Loss and Grief Education Program. MacKillop Foundation), an education programme built around emerging evidence that giving children a voice assists them to adapt to family change. The paper concludes with insights into what is involved when we locate notions of -having a say- as a key element in promoting children-s well-bei...
Contradictory reports in the literature on the reliability of lymphography stimulated the authors to test the diagnostic accuracy, employing methods which are approximately analogous to practice, using carcinoma of the cervix as the model on which the study was carried out. Using 21 observers it was found that there was no correlation between their experience and on-target accuracy of the diagnosis. Good observers obtained an accuracy of 85% with good proportions between sensitivity in the recognition of detail, specificity and readiness to arrive at a decision on the basis of discriminatory ability. With the help of the concept of the ROC curves, the position taken up by the observers in respect of diagnostic decisions, and a complex manner of assessing the various characteristic factors determining diagnostic accuracy, are demonstrated. This form of test, which permits manipulation of different variants of diagnosis, is recommended, among other things, for ...
Advances in the theory and practice of stress corrosion cracking (SCC) are reviewed for the period 1965-1990. The proceedings of two landmark conferences are used as a basis for discussion: Ohio State University (1967) and Kohler, WI (1988). The discussion is developed around the following topics: metal-environment combinations, testing, fractography, metallurgical aspects, electrochemical aspects and crack chemistry, mechanisms, and prediction and mitigation. It is concluded that the main developments since 1967 are the recognition of the lack of specificity of SCC environments, the use of slow strain rate and fracture mechanics testing, quantitative SEM fractography, studies of grain boundary structure and compositions, transient electrochemistry of bare metal surfaces, measurement and modelling of crack chemistry, elaboration of several SCC models, including slip-dissolution and film induced cleavage, and mitigation by alloy development or anodic protection. ...
The diagnostic accuracy of sialography and ultrasonography (US) in the evaluation of parotid masses is evaluated. Furthermore the role of computed tomography (CT) in this pathology is discussed. In the personal experience US proved to be the best method in the recognition of a parotid tumor while sialography was superior in defining the intra or extraparotid site. The two investigations showed the same accuracy in the definition of benign or malignant nature of the mass. Therefore we consider US the only investigation in most istances; sialography could be performed when the site of the lesion is uncertain or an inflammatory lesion is suspected. CT is never the first investigation; its use is limited to a low number of cases, mainly for the evaluation of large masses and when the association US-sialography does not allow a sure diagnosis.
The possibility of developing reactor designs with inherent safety characteristics sufficient to provide walk away safety is receiving additional emphasis in the LMR program. A key element in this effort is the recognition that LMR's possess safety characteristics above and beyond those employed in past safety review processes. Some of these additional safety characteristics are due to reactivity feedback effects caused by small structural movements during hypothetical severe design transients. The effects of these characteristics upon the behavior of the FFTF under such transients has been assessed and is discussed in this paper. The paper also presents a preliminary test matrix which might allow experimental verification of the structural reactivity feedback effects. Such experimental verification should be very useful to innovative designers seeking to optimize inherent safety.
The possibility of developing reactor designs with inherent safety characteristics sufficient to provide ''walk away'' safety is receiving additional emphasis in the LMR program. A key element in this effort is the recognition that LMR's possess safety characteristics above and beyond those employed in past safety review processes. Some of these additional safety characteristics are due to reactivity feedback effects caused by small structural movements during hypothetical severe design transients. The effect of these characteristics upon the behavior of the FFTF under such transients has been assessed and is discussed in this paper. The paper also presents a preliminary test matrix which might allow experimental verification of the structural reactivity feedback effects. Such experimental verification should be very useful to innovative designers seeking to optimize inherent safety. 8 refs., 1 fig., 2 tabs.
In this paper, we introduce a new recursive neural network model able to process directed acyclic graphs with labelled edges. The model uses a state transition function which considers the edge labels and is independent both from the number and the order of the children of each node. The computational capabilities of the new recursive architecture are assessed. Moreover, in order to test the proposed architecture on a practical challenging application, the problem of object detection in images is also addressed. In fact, the localization of target objects is a preliminary step in any recognition system. The proposed technique is general and can be applied in different detection systems, since it does not exploit any a priori knowledge on the particular problem. Some experiments on face detection, carried out on scenes acquired by an indoor camera, are reported, showing very promising results. PMID:16181770
The changed political situation and recognition of the acute destruction of the natural environment in Poland have caused a series of actions aimed at preventing further deterioration of Polish environment. One of the most important events which took place in the last few years was the enactment by the Polish Parliament in May 1991 of the Act on the National Ecological Policy. The basic assumption of the new environmental policy is a declaration that sustainable development will in future direct economic development in Poland. The aim of the presented paper is to introduce existing policy of air protection and instruments which have been implemented to protect the air. Special attention is paid to legislation instruments, introduction and enforcement of proper economic mechanisms strengthening air protection and foreign policy aiming at increasing foreign assistance for this objective. Pollutants involved include sulfur dioxide, nitrogen oxides, carbon dioxide and ...
The paper introduces scaled Bregman distances of probability distributions which admit non-uniform contributions of observed events. They are introduced in a general form covering not only the distances of discrete and continuous stochastic observations, but also the distances of random processes and signals. It is shown that the scaled Bregman distances extend not only the classical ones studied in the previous literature, but also the information divergence and the related wider class of convex divergences of probability measures. An information processing theorem is established too, but only in the sense of invariance w.r.t. statistically sufficient transformations and not in the sense of universal monotonicity. Pathological situations where coding can increase the classical Bregman distance are illustrated by a concrete example. In addition to the classical areas of application of the Bregman distances and convex divergences such as recognition, classification, ...
The recognition that natural convection offers the prospect of an important inherent safety feature for liquid metal cooled reactor systems has provided the impetus for a world-wide research effort over the past decade. Whilst this research has been based on experiment, both plant experiments and out-of-pile experiments, the enormous advances in the development of computing power in recent years have enabled complementary programmes of mathematical modelling through numerical simulation of the transport equations in three spatial dimensions. These not only offer considerable promise for the designer in projecting the behaviour from experiments and prototype plant to full scale plant, they have also proved to be of considerable value in helping us to interpret and understand the results of the experiments themselves. This paper attempts to review the progress made with the emphasis on decay heat removal by natural convection in the pool-type system. (author).
This report, the eighth in a series of annual reports, was prepared in response to congressional inquiries concerning how nuclear regulatory research is used. It summarizes the accomplishments of the Office of Nuclear Regulatory Research during FY 1992. A special emphasis on accomplishments in nuclear power plant aging research reflects recognition that a number of plants are entering the final portion of their original 40-year operating licenses and that, in addition to current aging effects, a focus on safety considerations for license renewal becomes timely. The primary purpose of performing regulatory research is to develop and provide the Commission and its staff with the technical bases for regulatory decisions on the safe operation of licensed nuclear reactors and facilities, to find unknown or unexpected safety problems, and to develop data and related information for the purpose of revising the Commission`s rules, regulatory guides, or other guidance.
This report, the eighth in a series of annual reports, was prepared in response to congressional inquiries concerning how nuclear regulatory research is used. It summarizes the accomplishments of the Office of Nuclear Regulatory Research during FY 1992. A special emphasis on accomplishments in nuclear power plant aging research reflects recognition that a number of plants are entering the final portion of their original 40-year operating licenses and that, in addition to current aging effects, a focus on safety considerations for license renewal becomes timely. The primary purpose of performing regulatory research is to develop and provide the Commission and its staff with the technical bases for regulatory decisions on the safe operation of licensed nuclear reactors and facilities, to find unknown or unexpected safety problems, and to develop data and related information for the purpose of revising the Commission's rules, regulatory guides, or other ...
...the School, the research group structure was recently revised and now comprises the following teams: Drug Design and Analysis Pharmaceutics Pharmacy Practice and Policy Pharmacological and Biomedical Science The current structure was designed to take into account the future development of research in the academic area. The ...Discovery, Molecular Modelling, Pharmacology and Molecular Biology) and international recognition (Biological Sciences), which have now been re-organised into the Drug Design and Analysis and Pharmacological and Biomedical Sciences teams. The reorganisation also aimed to improve the research reputation of the other teams. The improvements in ... Email to a friend Print Within this area Drug design and analysis Pharmaceutics Pharmacy practice and policy Pharmacological and biomedical sciences Projects Publications Staff Considering a course? Research Degrees Course Finder Order a Prospectus Subject Areas Sunderland Facts Student Life Getting ...
...The RSPB: Great crested grebe A delightfully elegant waterbird with ornate head plumes which led to its being hunted for its feathers, almost leading to its extermination from the UK. E-mail to a friendE-newsletterContact us Home England Northern Ireland Scotland Wales About Overview Awards & recognition Contact us Facts and figures History How we are run Inspiring work Job vacancies Looking to the future Media centre Offices The RSPB view ...status: Green Listen Get Flash player Play sound 1 videoLatin name Podiceps cristatusFamily Grebes (Podicipedidae)Overview A delightfully elegant waterbird with ornate head plumes which led to its being hunted for its feathers, almost leading to its extermination from the UK. They dive to feed and also to escape, preferring this to flying. On land they are clumsy because their feet are placed so far back on their bodies. ...
The authors discuss 84 cases of laparoscopic examination of women with primary or secondary infertility. The patients qualified for this examination had undergone at least 26 weeks of conventional treatment with no effect. In 7 cases the reproductive organ was found to be in order, with fallopian tubes fully patent. In 43 cases tubar inpatency was found (using hysterosalpingographic examination). The remaining patients suffered from other reproductive organ disorders. Therefore, the laparoscopic examination made detailed recognition of the causes of infertility possible and thus helped to establish the proper treatment. Additionally, in some cases it enabled the immediate removal of the source of infertility. (author)
Isolation of functional and intact mitochondria from solid tissue is crucial for studies that focus on the elucidation of normal mitochondrial physiology and/or mitochondrial dysfunction in conditions such as aging, diabetes, and cancer. There is growing recognition of the importance of mitochondria both as targets for drug development and as off-target mediators of drug side effects. Unfortunately, mitochondrial isolation from tissue is generally carried out using homogenizer-based methods that require extensive operator experience to obtain reproducible high-quality preparations. These methods limit dissemination, impede scale-up, and contribute to difficulties in reproducing experimental results over time and across laboratories. Here we describe semiautomated methods to disrupt tissue ...
A set of 35 uranium ore and 10 yellow cake samples, collected worldwide from different mines and production sites, were analyzed for their impurity spectrum by ICP-MS. Pattern recognition techniques such as cluster analysis were applied to the data set in order to characterize samples with relation to their geographical origin. The results obtained show a clear relationship between samples taken from the same geological origin and constitute a satisfactory fingerprint for establishing the origin of the material. In addition to the impurity data, data on the isotopic composition of radiogenic lead is used to resolve ambiguity when impurity cluster analysis fails to deliver unambiguous origin data. (author)
The Seventh Meeting of the Conference of the Parties (2004) of the Convention on Biological Diversity established a mandate for the negotiation of an international regime on Access to Genetic Resources and Benefit Sharing arising from their utilization. Negotiations have been proceeding and have entered the final phase. Seven working group meetings have been held to date and there is expectation that an instrument will emerge by the final deadline - the Tenth Meeting of the Conference of the Parties in Nagoya, Japan in October 2010. A key component singled out for inclusion in the international regime relates to the recognition and protection of the rights of indigenous and local communities (ILCs) over their traditional knowledge (TK) associated with genetic resources. The Ninth Meeting o...
Cell surface glycosaminoglycans play important roles in cell adhesion and viral entry. Laboratory strains of two alphaviruses, Sindbis and Semliki Forest virus, have been shown to utilize heparan sulfate as an attachment receptor, whereas Ross River virus (RRV) does not significantly interact with it. However, a single amino acid substitution at residue 218 in the RRV E2 glycoprotein adapts the virus to heparan sulfate binding and expands the host range of the virus into chicken embryo fibroblasts. Structures of the RRV mutant, E2 N218R, and its complex with heparin were determined through the use of electron cryo-microscopy and image reconstruction methods. Heparin was found to bind at the distal end of the RRV spikes, in a region of the E2 glycoprotein that has been previously implicated in cell-receptor recognition and antibody binding.
The capacity to estimate the head pose of another person is a common human ability that presents a unique challenge for computer vision systems. Compared to face detection and recognition, which have been the primary foci of face-related vision research, identity-invariant head pose estimation has fewer rigorously evaluated systems or generic solutions. In this paper, we discuss the inherent difficulties in head pose estimation and present an organized survey describing the evolution of the field. Our discussion focuses on the advantages and disadvantages of each approach and spans 90 of the most innovative and characteristic papers that have been published on this topic. We compare these systems by focusing on their ability to estimate coarse and fine head pose, highlighting approaches that are well suited for unconstrained environments. PMID:19229078
Legal context Can we imagine the patent case as a play? As Johann Huizinga, the Dutch historian and cultural theorist writes, "The lawsuit can be regarded as a game of chance, a contest or a verbal battle." According to Huizinga, science is actually a play itself, thus scientific recognition is nothing more than the solution of a task of a play. In this context, a patent suit is nothing more than a play played with the play (in other words a `Game of the Game'). Key points and practical significance In our view in an ideal world the enforcement of patent rights should be a game of chess, where all the information is available to both players and the rules are simple and unquestionable. All players accept, understand and interpret the rules the same way. The referee has no role to play. How...
339 CT und 95 MRT examinations in 210 partients were evaluated retrospectively to determine the value of CT and MRT for follow-up of head and neck tumors and for diagnosing recurrences. Semi-quantitative evaluation of tumor extent during and after radiotherapy showed advantages for MRT since changes induced by treatment, particularly oedema, produced less contrast loss in the images. CT had a sensitivity of 81% for the recognition of recurrences; this was 92% for MRT. Specificity for CT was 76% and for MRT 86%. Concerning the reliability of individual diagnostic criteria, space occupying lesions were the most valuable in CT diagnosis. For MRT, space occupying lesions and infiltration into neighbouring structures were of equal value. Because of differences in the nature of the signals, MRT proved better than CT in characterising recurrent masses and this improved the differentiation between scarring and local tumour recurrence. (orig.).
Summary There is a current popular recognition that cigarette smoking is deleterious to health. Although this is very clearly the case for physical health, the situation regarding mental health is, however, rather more complicated. This piece concentrates on the role of smoking in schizophrenia: it is important to consider why schizophrenia, exceptionally amongst the severe and enduring mental illnesses, is associated with increased cigarette consumption. People who suffer from schizophrenia consequently have a greater risk of the complications to physical health caused by this addiction and clearly, it is important to understand why this occurs. Numerous investigators have found that both neuroleptic-naive, first-onset schizophrenics, together with chronic sufferers of the illness, consum...
In this paper we propose an entropy measure for interval-valued intuitionistic fuzzy sets, which generalizes three entropy measures defined independently by Szmidt, Wang and Huang, for intuitionistic fuzzy sets. We also give an approach to construct similarity measures using entropy measures for interval-valued intuitionistic fuzzy sets. In particular, the proposed entropy measure for interval-valued intuitionistic fuzzy sets can yield a similarity measure. Several illustrative examples are given to demonstrate the practicality and effectiveness of the proposed formulas. We apply the similarity measure to solve problems on pattern recognitions, multi-criteria fuzzy decision making and medical diagnosis.
Objective: Analyse the difference in school careers and secondary school qualification levels between unilateral hearing aid users and bilateral hearing aid users. Study design: Retrospective questionnaire study. Setting: Postal-based questionnaire. Participants: Names of adults known to have been fitted with unilateral or bilateral hearing aids during childhood were retrieved. This resulted in 292 names. Participants were selected using the following criteria: availability of the medical record, presence of bilateral hearing loss, completed secondary school education, normal IQ and a minimum aided word-recognition score of 70% at 10 years of age. The questionnaire was sent to 50 potential participants of whom 40 responded, resulting in two groups comprising 19 unilateral and 21 bilateral ...
Steam generator tubes in nuclear power plants are periodically checked by means of eddy current probes. The output of a probe is composed of three types of signals: known events (rolling zone, support plates, U-bend part), noise (mainly metallurgical noise) and possible flaws. The latter are random transients, both in arrival time and in shape: they have to be detected and then estimated, before to be fed to the high level stages of a diagnostic system. The objective of the study presented is to develop a semi-automatic system, which could manage and process more than 1 M-bytes of data per tube and provide an operator with reliable diagnostics proposals within a few minutes. This can be achieved only by cooperation of several digital signal processing techniques: detection, segmentation, estimation, noise subtraction, adaptive filtering, modelization, pattern recognition. The paper describes some of these items.
Background There is increasing recognition that lower nurse staffing levels are associated with higher morbidity and mortality among medical and surgical patients. The degree to which this applies to elderly patients with hip fractures is unclear. Questions/purposes We conducted a pilot study using administrative data as an initial step in investigating the relationship between nurse staffing levels and in-hospital mortality among elderly patients with hip fractures. Patients and Methods We retrospectively reviewed administrative data for 13,343 patients 65?years or older with a primary diagnosis of hip fracture admitted to 39 Michigan hospitals between 2003 and 2006. We used logistic regression to calculate the change in predicted probability of in-hospital death conferred by differences ...
The integral membrane protein synaptophysin is one of the most abundant polypeptide components of synaptic vesicles. It is not essential for neurotransmission despite its abundance but is believed to modulate the efficiency of the synaptic vesicle cycle. Detailed behavioral analyses were therefore performed on synaptophysin knockout mice to test whether synaptophysin affects higher brain functions. We find that these animals are more exploratory than their wild type counterparts examining novel objects more closely and intensely in an enriched open field arena. We also detect impairments in learning and memory, most notably reduced object novelty recognition and reduced spatial learning. These deficits are unlikely caused by impaired vision, since all electroretinographic parameters measur...
A voice activated garage door opener was designed for a handicapped person to open a garage door without assistance. This design uses speech recognition of one word. The activating word that was chosen is "up". The frequency spectrum of "up" was captured on a soundboard and is the basis of this design. Filters are used to pick out three frequency bands in this spectrum. The output signals from these filters are then compared to three threshold voltages using voltage comparators. If the output signals from the filters are above the threshold voltages, the comparators go high. Monostable multivibrators are used on the output of the comparators to lengthen the high pulses. When all of the pulses from the monostable multivibrators are high at the same time, an AND gate output goes high. This high pulse activates the door opener. PMID:8329601
This new book presents a practical how to approach to understanding and solving the problems of corrosion of structural materials. Although it is written mainly for those having a limited technical background in corrosion, it also provides more experienced engineers with a useful overview of the principles of corrosion and can be used as a general guide for developing a corrosion-control program. Contents include: the effects and economic impact of corrosion; basic concepts important to corrosion; principles of aqueous corrosion; forms of corrosion: recognition and prevention; types of corrosive environments; corrosion characteristics of structural materials; corrosion control by proper design; corrosion control by materials selection; corrosion control by protective coatings and inhibitors; corrosion control by cathodic and anodic protection; corrosion testing and monitoring; techniques for diagnosis of corrosion failures; and glossary of corrosion-related terms.
ObjectivesThe vision The Centre's vision is a rural transformation in the developing world where smallholder households massively increase their use of trees in agricultural landscapes to improve their food security, nutrition, income, health, shelter, energy resources and environmental sustainability. This vision is founded upon three basic tenets: 1. The growing importance of trees and treebased systems in sustaining livelihoods and agroecosystems; 2. The Centre's experience and comparative adv [continued...]DescriptionBackground: The International Council for Research in Agroforestry (ICRAF) was created in response to a visionary study in the mid-1970s led by forester John Bene of Canada's International Development Research Centre (IDRC). The study coined the term 'agroforestry' and called for global recognition of the key role trees play on farms. This led to the establishment of ICRAF in 1978 to promote agroforestry research in developing countries. Intended ...
In order to increase the speed of photoelectric conversion, a linear CCD is applied as the photoelectric converter instead of the traditional photodiode. A white LED is used as the light source of the system. The color information of the urine test strip is transferred into the CCD through a reflecting optical system. It is then converted to digital signals by an A/D converter. The test results of urine analysis are obtained by a data processing system. An ARM microprocessor is selected as the CPU of the system and a CPLD is employed to provide a driving timing for the CCD drive and the A/D converter. Active HDL7.2 and Verilog HDL are used to simulate the driving timing of the CPLD. Experimental results show that the correctness rate of the test results is better than 90%. The system satisfies the requirements of the color information collection of urine analyzer.
Problem statement: Clustering has a number of techniques that have been developed in statistics, pattern recognition, data mining, and other fields. Subspace clustering enumerates clusters of objects in all subspaces of a dataset. It tends to produce many over lapping clusters. Approach: Subspace clustering and projected clustering are research areas for clustering in high dimensional spaces. In this research we experiment three clustering oriented algorithms, PROCLUS, P3C and STATPC. Results: In general, PROCLUS performs better in terms of time of calculation and produced the least number of un-clustered data while STATPC outperforms PROCLUS and P3C in the accuracy of both cluster points and relevant attributes found. Conclusions/Recommendations: In this study, we analyze in detail the properties of different data clustering method.
ObjectivesCoastal ecosystems in developing countries supply a diverse range of services to local communities and national economies, including fish production, protection against floods and storms and support to tourism. Multiple drivers of change are influencing the status of the ecosystems, most of which are anthropogenic (Brown et al., 2006). Managing coastal ecosystems requires recognition of the diverse range of uses and users, and coordination between structures and processes, many of which are curr [continued...]DescriptionCommitment to the management of coastal ecosystems through addressing both ecological and social objectives already exists in East and Southern Africa (Glavovic 2006; Gustavson et al. 2009). More understanding, however, of the ecosystem services of priority to the poor and to poverty alleviation would strengthen the capacity of these initiatives to deliver on poverty alleviation and resource sustainability. The coastal regions of Tanzania, ...
The aim of the study was to assess the usefulness of artificial neural networks (ANN) application in evaluation of scintimammography in the context of clinical data in the diagnosis of breast cancer. The results produced by ANN were compared with the diagnosis of two independent observers, nuclear medicine specialists. Material and methods: The clinical data and the numerical values derived from scintimammograms of 103 patients were the material for the study. The reference method was the result of histopathology study (core biopsy and /or FNB). Results: The overall sensitivity of physician diagnosis was 78% with specificity of 72%. The ANN produced 71% sensitivity and specificity of 73%. The physicians and ANN results were not significantly different (p=0.4619). Conclusions: Artificial neutral networks are useful tool in clinical diagnosis of breast cancer. (authors)
Orientation in the environment can draw on a variety of cognitive strategies. We asked 634 healthy volunteers to perform a comprehensive battery administered through an internet website (www.gettinglost.ca), testing different orientation strategies in virtual environments to determine the effect of age and gender upon these skills. Older participants (46-67years of age) performed worse than younger participants (18-30 or 31-45years of age) in all orientation skills assessed, including landmark recognition, integration of body-centered information, forming association between landmarks and body turns, and the formation and use of a cognitive map. Among all tests, however, the ability to form cognitive maps resulted to be the significant factor best at predicting the individuals' age group. ...
The time dependence of negative corona current I, called by Gagarin like 'relaxing of CV-characteristics', is a observed phenomena. The observed phenomena was explained by two theoretical models considering the ion-molecule and chemical reactions in the negative corona discharges in air, especially the ozone production. In the presented paper the discrepancies of above mentioned models, re-examination the earlier experimental data and presumptions used in models in a light the latest experimentally confirmed facts are discussed.
Bacteriocins are an abundant class of antimicrobial molecules that appear to mediate population dynamics within species. The bacteriocins of Escherichia coli have served as a model for exploring the ecological role of these potent toxins. Studies suggest that colicins provide a competitive edge in nutrient-poor environments and that there might be a trade-off between the costs and benefits of colicin production. PMID:10203843
The management of CNS tumors is limited by the blood-brain barrier (BBB), a vascular interface that restricts the passage of most molecules from the blood into the brain. Here we show that phage particles...Full Text Available
Both solvent extraction and spectrophotometric techniques were used to show the alterations that gamma radiation causes in the behavior of tetracycline molecule as far as its extracting and complexing power are concerned. The effect of gamma radiation on the solid tetracycline molecule, benzyl alcohol and on the solution of both was examined in solvent extraction systems whose aqueous phases were made up by {sup 152} Eu-{sup 154}Eu radioactive tracer solutions and whose organic phases were constituted by tetracycline-benzyl alcohol solutions. Experiments were performed in order to determine whether or not the water used for the pre-saturation of benzyl alcohol would influence the radiolysis of tetracycline. Solvent extraction and spectrophotometry were the techniques used to obtain the necessary data. Absorption spectra of irradiated tetracycline benzyl alcohol solutions submitted to several gamma radiation doses were examined and the ...
Three subbituminous coals of different rank demineralized in HCl and HF aqueous solutions were treated with several metal salt aqueous solutions to produce corresponding cation exchanged coals. In this treatment, the demineralized coals were exchanged by cations (K{sup +}, Na{sup +}, Mg{sup 2+}, Ca{sup 2+}, Fe{sup 3+} and Al{sup 3+}), which are known to be the major elements in coal minerals. The relations between the content and the kind of exchanged cations were investigated. For lower rank coals, such as Adaro and Black Thunder coals, almost linear relations between the content of exchanged cations and the decreasing amounts of pyridine soluble yields of the cation exchanged coals based on the values in the respective demineralized coals were found. From the differences of the gradients, it was confirmed that the noncovalent associations such as hydrogen bonds between pyridine and coal molecules were proportionally reduced by cation exchange, that is, uni and ...
Human serum albumin (HSA) has two primary binding sites for drug molecules. These sites selectively bind different dansylated amino acid compounds, which—due to their intrinsic fluorescence—have...Full Text Available
Using the example of perhydrophenanthrene, perhydroanthracene and cyclopentanodecalin isomers a possibility is shown to use packed capillary columns containing graphitized thermal carbon black for a complete separation of high-boiling mixtures of polycyclic saturated hydrocarbon isomers in accordance with the geometric structure of their molecules.
The Rayleigh scattering of Moessbauer radiation has been measured on highly oriented fibres of Na-hyaluronate at different hydration levels. The elastic- and-inelastic-scattering intensities, measured as a function of the scattering vector Q, have provided information on the dynamic structuring of the water molecules to the polysaccharidic chains.
By using a laser and maser in tandem, it is possible to obtain laser action in the hot exhaust gases involved in heat engine operation. Such a "quantum afterburner" involves the internal quantum states of working gas atoms or molecules as well as the techniques of cavity quantum electrodynamics and is therefore in the domain of quantum thermodynamics. As an example, it is shown that Otto cycle engine performance can be improved beyond that of the "ideal" Otto heat engine.
The author is exploring the efficiency of pulsed plasma processing in the removal of nitrogen dioxide, nitrogen oxide, and other pollutants. This process uses an electrical discharge to create chemical radicals from air molecules. These radicals can react with pollutants and form harmless compounds. Additives such as hydrocarbons are also used to improve the efficiency of the removal. The efficient removal of nitrogen dioxide has required the presence of dilute aqueous solution of ammonia.
...) Abstract: Fluorescence microscopic imaging is widely used in biomedical research to study molecular and cellular processes in cell culture or tissue samples. This is motivated by the high inherent sensitivity of fluorescence techniques, the spatial resolution that compares favorably with cellular dimensions, the stability of the fluorescent labels used and the sophisticated strategies that have been developed for selectively labeling target molecules. More recently, two and ...
We study by means of Quantum Monte Carlo simulations based on the Worm Algorithm the low temperature (down to T = 0.05 K) properties of parahydrogen clusters comprising up to 40 molecules. Three different intermolecular interactions are employed: the Silvera-Goldman, the Buck and the Lennard-Jones potential. Despite important discrepancies observed in the numerical estimates of energy and superfluid fraction, the mechanism by which clusters melt at low T is independent of the particular choice of the potential, whose only effect is to alter the temperature scale.
This review briefly describes current efforts to develop superradiant sources of coherent radiation for the sub-nanometer range of wavelenghs, using nuclear rather than the atomic or molecular transitions that are stimulated in existing lasers. First the radiative (including Raman) interactions of nuclei with those of atoms and molecules are compared; then the present status of research on the fundamental problems involved in stimulating nuclear gamma radiation is described. (author). 20 refs.; 2 figs.
This meeting focussed on the study of the structure and dynamics of biological molecules, with particular emphasis on neutron and complementary methods as well as related enabling technologies. The program covered biological problems that are being addressed by neutron scattering and those where there is the potential to do so in the future. This document provides the abstracts of the different presentations. (A.L.B.)
The possibility of applying the near infrared gas dynamic lasers (GDL) for neutralization of negative ion beams is examined. A criterion of neutralization is suggested. The use of the criterion makes it possible to select an optically active medium for a negative ion neutralization. To demonstrate the method media containing hydrohalogens as imitating molecules are taken. ((orig.))
Experiments are reported in which a methane plasma is created, and the methyl ions and hydrogen ions are accelerated within a microchannel array so that they interact with neutral methane molecules on the inside surfaces of the microchannels. No catalysts are used, and the device operates at room temperature. Impact energies of the ions are in the range of 10 eV to greater than 100 eV, and the energy delivered in the interaction at the surfaces causes the production of larger hydrocarbon molecules, such as C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}, along with C{sub 3}, C{sub 4}, C{sub 5}m C{sub 6}, C{sub 7}m and C{sub 8} molecules. There is a decreasing percentage of larger molecules produced, in comparison with the C{sub 2} and C{sub 3} types. Conversion effectiveness is greater at higher pressure, due to the increased ionic activity. The yield of the higher hydrocarbons depends upon the ...
Anaplastic lymphoma kinase-positive, anaplastic large cell lymphoma (ALK+ ALCL) is an aggressive non-Hodgkin lymphoma of T/null immunophenotype that is most prevalent in children and young adults. The...Full Text Available
Titanium and aluminum alkoxide derivatives with polymerizable ligands such as 2-(methacryloyloxy)ethylacetoacetate (HAAEMA), oleic acid and geraniol (HOGE) have been obtained. The various compounds have been characterized by FT-IR and NMR {sup 1}H. Copolymerization with styrene and divinylbenzene affords porous doped organic materials which have been characterized by scanning electron microscopy (SEM), elemental analysis, density measurements.
The hydrogen bonding of ligated water in ferric, high-spin, resting-state substrate complexes of heme oxygenase from Neisseria meningitidis has been systematically perturbed...Full Text Available
During the period covered by this report research has been concerned with the study of photo-induced electron transfer reactions from porphyrins to acceptor molecules with time-resolved Electron Paramagnetic Resonance (EPR) methods. Excited-state electron transfer reactions are of importance from a fundamental point of view and in connection with applications in homogeneous and heterogeneous photosensitization, photopolymerization, and solar energy conversions. For this reason, the study of photo-induced electron transfer reactions is of considerable interest.
HIPDM is an "1"2"3I-labeled agent with a distribution in brain reflecting regional perfusion. This compound is neutral and lipid soluble at blood pH and freely crosses the blood-brain barrier. At the lower pH in brain, it picks up a hydrogen ion and becomes positively charged. In this form the molecule is not lipid soluble and it is trapped in brain.
Organic molecules are a significant and highly varied component of atmospheric aerosols. Measurement of aerosol composition and improvements in our understanding of the complex chemistry involved in their formation and aging are being aided by innovations in soft ionization aerosol MS. (To listen to a podcast about this feature, please go to the Analytical Chemistry multimedia page at pubs.acs.org/page/ancham/audio/index.html.). PMID:21275431
...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...
Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate the properties of ...
We report the presence of oligosaccharide structures on a glutamine residue present in the VL domain sequence of a recombinant human IgG2 molecule. Residue Gln-106, present in the QGT sequence...Full Text Available
Two integrated hepatitis B virus (HBV) DNA molecules were cloned from two primary hepatocellular carcinomas each containing only a single integration. One integration (C3) contained a single linear...Full Text Available
The history of explosives vapor detection includes almost every detection strategy known to man. Initial attempts to utilize these techniques were dismal failures. However, with the development of the Electron Capture Detector (ECD), the first promising detection of explosives vapors became possible. The present commercial explosives detectors detect the higher vapor pressure materials but not the whole spectrum. This paper describes the basic properties of explosives molecules and our research to utilize these properties for increased detection sensitivity.
During this report period our research efforts have concentrated on studies of the dissociation reactions of model peptides and other biologically important molecules. In addition, a considerable amount of research effort has been directed toward improving the apparatus used for laser-ion beam photodissociation. The instrumental improvements include some changes on the original apparatus, but most of this effort involved designing a second generation laser-ion beam photodissociation instrument.
Today you will learn about the parts of DNA and what DNA, genes and chromosomes are. Today you will learn what DNA, genes and chromosomes are and the parts of the DNA molecule. Look at all of the websites, take whatever notes you need to. At the end of the assignment, be able to describle DNA, the parts of DNA, genes and chromosomes. Covers Biology Core Curriculum, ...
BackgroundThe orphan nuclear receptor estrogen-related receptor α (ERRα) is a member of the nuclear receptor superfamily. It was identified through a search for genes...Full Text Available
Cesium ions (Cs"+) are used for the production of the feed ions necessary to obtain Fourier transform mass spectra (FTMS). The molecule chosen for the initial study of this Cs"+ desorption ionization (DI-FTMS) was vitamin B-12 because of its nonvolatile, thermally labile character. 21 references.
Cytomegalovirus (CMV)-seropositive patients with ESRD may have more CD4+ T cells lacking the co-stimulatory molecule CD28 (CD4+CD28null) than CMV-seronegative patients. Increased...Full Text Available
Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH molecule with O facing the surface adsorbed at ...
The Ni(H_2O)_6 ion is located at an inversion center. Six octahedral water molecules surround the Ni"I"I ion and form hydrogen bonds with the sulfate groups. Each ammonium group binds to the sulfate groups through hydrogen bonds. (orig.).
This critical review with 28 references examines absorption and emission in the v2 band of the carbon dioxide molecule at around the 15micron wavelength. The argument for additional infrared absorption, the enhanced greenhouse effect due to increased carbon dioxide concentrations, and radiation transport and increased emissions are discussed. Experiments studying the transmission spectra of pure carbon dioxide and carbon dioxide in nitrogen, and comparing them with the results of climate modelling using the HITRAN and GEISA databases, are described.
Ethylene (C2H4) is a unique plant-signaling molecule that regulates numerous developmental processes. The key enzyme in the two-step biosynthetic pathway of ethylene is 1-aminocyclopropane-1-carboxylate...Full Text Available
The topics of these short lectures on the subject of cyclic stress were: Microstructural mechanisms of damage accumulation under a multistage cyclic stress until incipient cracking; influence of surface decarbonizing phenomena on the failure behaviour of steel construction parts subjected to cyclic stress; thermocyclic fatigue of pipe samples of austenitic steel 1.4436; studies on surface structuring, microstructure and fatigue in LCF area. The short lectures on effects of quasi-static and creep stress were: Shear fracture in AlMg alloys as a result of local plastic instability; study of formation and growth of pores for an early recognition of damage and the course of damage in heat-resistant steels under creep test; experimental and numeric studies of the infuence of the microstructure on the course of damage during shear fractures of steel; numerical modelling of ductile fractures on the basis of micromechanical models. Under the topic of tribological stress the ...
ATR-X (alpha-thalassemia/mental retardation, X-linked) syndrome is a human congenital disorder that causes severe intellectual disabilities. Mutations in the ATRX gene, which encodes an ATP-dependent chromatin-remodeler, are responsible for the syndrome. Approximately 50% of the missense mutations in affected persons are clustered in a cysteine-rich domain termed ADD (ATRX-DNMT3-DNMT3L, ADD{sub ATRX}), whose function has remained elusive. Here we identify ADD{sub ATRX} as a previously unknown histone H3-binding module, whose binding is promoted by lysine 9 trimethylation (H3K9me3) but inhibited by lysine 4 trimethylation (H3K4me3). The cocrystal structure of ADD{sub ATRX} bound to H3{sub 1-15}K9me3 peptide reveals an atypical composite H3K9me3-binding pocket, which is distinct from the conventional trimethyllysine-binding aromatic cage. Notably, H3K9me3-pocket mutants and ATR-X syndrome mutants are defective in both H3K9me3 binding and localization at pericentromeric heterochromatin; ...
Ultraviolet light can be used to immobilize biomolecules onto thiol reactive surfaces in order to, e.g., make biosensors. The mechanism involves light-induced formation of free, reactive thiol groups in disulphide containing molecules. This technology allows for the creation of arrays of biomolecules with a high degree of reproducibility, circumventing the need for often expensive nano/micro-dispensing technologies. The ultimate size of the immobilized spots is defined by the focal area of the UV beam. Light-induced immobilization has the added benefit that the immobilized molecules will be spatially oriented and covalently bound to the surface. In this paper, we demonstrate the utility of a sensor array created with the new sensor technology when integrated into a microfluidic system. Protein arrays made using light-induced immobilization showed successful antigen/antibody binding in a flow cell allowing the visualisation of real time binding ...
The inhibitory activity of chicken and crocodilian ovomacroglobulins against trypsin was measured before and after their incubation with methylamine. The result for crocodilian ovomacroglobulin showed that methylamine treatment destroyed half of its activity, in unique contrast to human alpha 2-macroglobulin and chicken ovomacroglobulin for which methylamine either destroys the inhibitory activity of the former completely or does not affect that of the latter at all. Free sulfhydryl groups of chicken and crocodilian ovomacroglobulins were titrated with 5,5'-dithiobis(2-nitrobenzoic acid) before and after incubation with trypsin. Prior to the incubation with trypsin the chicken and crocodilian proteins respectively had 0 and 1 titratable sulfhydryl per molecule of Mr 720,000. After treatment with trypsin the crocodilian protein had 3.5-4 titratable sulfhydryls, whereas there were no titratable sulfhydryls in the chicken protein. After denaturation of the ...
Perylene bisimides (PBIs) represent an important class of organic n-type semiconductors exhibiting a relatively high electron affinity among large-band-gap materials. Herein synthesis and characterization of several unsymmetrical N-substituted PBI dyes is presented and the thermotropic behavior, which is strongly affected by the respective N-substituents was investigated. Two different series of highly soluble and fluorescent derivatives have been synthesized: (1) PBIs bearing swallow-tailed alkyl chains, different in size or (2) one swallow-tailed alkyl chain and one branched oligoethylenglycolether. Synthesis of these PBIs is generally feasible by two distinct divergent synthesis approaches. Thermotropic behavior was studied by DSC, POM and XRD measurements. Inherent {pi}-{pi} interactions between cofacially orientated perylene molecules and the elliptic shape of the molecule favor the ordering in columns and self-organized architectures. ...
The objectives of this project are to develop feasible synthetic routes to produce (1) 4(4{prime}-hydroxy-5{prime},6{prime},7{prime},8{prime}-tetrahydro-1{prime}-naphthylmethyl)-6-methyldibenzothiophene, and (2) a 1-hydroxynaphthalene-dibenzothiophene polymer. These compounds are thought to be representative of sulfur containing molecules in coal. The program is divided into three tasks, the first of which is a project work plan that has already been submitted. There are several possible synthetic routes to the target molecule (1). The authors are now investigating two general synthetic approaches: coupling of a dialkylated dibenzothiophene fragment with the phenol, and coupling of a monoalkylated dibenzothiophene fragment with a monoalkylated phenol fragment. This quarter they developed syntheses for the reaction fragments and conducted some preliminary coupling experiments. They found that polymerization of the fragments is a problem; ...
In this study, free electron laser (FEL) with selective wavelength was used to induce structure changes of biomolecules, which were characterized by FTIR spectroscopy. For understanding of the interactions between FEL and biomolecules as well as biological tissues, the biomolecules investigated are ATP, ADP, AMP, t-RNA, D-ribose and the complex of SmCl_3-D-ribose. Their FTIR spectra before and after irradiation of FEL show molecular structure variations of the samples after irradiation of FEL, especially the rearrangement of their hydrogen bond networks. Along with the various irradiation wavelengths, irradiation time and molecular structures, the changes after irradiation are different for these molecules. In the FTIR spectra after irradiation, the phenomenon that the bands split into several peaks indicates the existence of several structures, conformations and configurations, which may be prompted by multiple photons process induced by FEL. After irradiation, ...
Pretreatment of brown coal in oil was conducted using 1-methyl naphthalene or mixture of tetralin and 1-methyl naphthalene as solvent at temperatures ranging from 300 to 430{degree}C under nitrogen atmosphere. Effects of the solvent properties on the structural change of oxygen-functional groups (OFG) and coal liquefaction were investigated by means of quantitative analysis of OFG and solid state {sup 13}C-NMR measurement. When hydrogen transfer from solvent was insufficient, it was suggested that brown coal molecules loose their hydrogen to be aromatized. While, at lower temperatures ranging from 300 to 350{degree}C, hydrogen contained in brown coal molecules was consumed for the stabilization of pyrolytic radicals, and the deterioration of liquefaction was not observed. When hydrogen transfer from solvent was insufficient at higher temperatures above 400{degree}C in nitrogen atmosphere during pretreatment in oil, crosslinking like benzofuran ...
This work estimates the power requirements for using photochemical processes driven by space nuclear power to counteract the Earth's ozone layer depletion. The total quantity of ozone (O_3) in the Earth's atmosphere is estimated to be about 4.7 x 10"3"7 molecules. The ozone production and destruction rates in the stratosphere are both on the order of 4.9 x 10"3"1 molecules/s, differing by a small fraction so that the net depletion rate is about 0.16 to 0.26% per year. The delivered optical power requirement for offsetting this depletion is estimated to be on the order of 3 GW. If the power were produced by satellite reactors at 800 km altitude (orbit decay time #approx# 300 years), some means of efficient power beaming would be needed to deliver the power to stratospheric levels (10--50 km). Ultraviolet radiation at 140--150 nm could have higher absorption rates in O_2 (leading to production of atomic oxygen, which can combine with O_2 to form ...
CBA/Ca mice were infected by either the intravenous or intraperitoneal route with Mycobacterium microti and the subsequent changes in local macrophage populations examined. Following infection, the number of macrophages increased and they showed greater expression of both MHC Class II molecules. This response was not dependent on viability of the mycobacteria, in contrast to reports with other microorganisms such as Listeria. Studies in sublethally irradiated mice indicated that persistent antigen could give rise to a response after a period of host recovery which was radiation dose dependent. This procedure also highlighted differences in the regulation of different murine class II antigens in vivo, as seen by delayed re-expression of I-E antigens. Macrophage accessory cell function, as assessed by an in vitro T cell proliferation assay, correlated with Ia expression after fixation, but not after indomethacin treatment; this highlights the diverse nature of ...
Proposed future space-based beam weapons systems will most probably require an intense neutral particle beam for effective operation across geomagnetic field lines. Such neutral beams can most efficiently be obtained by stripping excess electrons from negative ion beams. The objective of this work is to study the process of dissociative attachment of electrons. Specifically, to measure the cross sections for polar dissociation and dissociative attachment for production of H(-). It is suspected that these dissociative attachment cross sections for the production of H(-) from alkali hydrides are large. The insight gained from this study will be extremely helpful in the fabrication of high current density H(-) beam sources for use in the production of intense neutral hydrogen beams. A selection of alkali hydride molecules will be investigated in order to determine the largest cross sections for the production of H(-) by electron impact. The angular distribution of the ...
The availability of new, high-intensity, cold and thermal neutron sources has opened the possibility of performing high-precision fundamental neutron physics experiments, including measurements that study the hadronic weak interaction and standard model test measurements, using neutron decay. The observables in these experiments are usually correlated with the direction of neutron polarization and are often very small (10 8 10 6). Mott-Schwinger scattering of polarized neutrons can produce spin-dependent shifts in beam centroids, which has the potential to produce significant systematic effects for these types of experiments. An accurate calculation of this process for neutral atoms and basic molecules has not been carried out for low neutron energies. In this work, we derive a general expression for the electromagnetic (Mott-Schwinger) contributions to the analyzing power for low-energy neutron scattering. We obtain numerical results for 11 nuclei in the range of ...
We present a new photonic technology and demonstrate that it allows for precise immobilisation of biomolecules to sensor surfaces. The technology secures spatially controlled molecular immobilisation since immobilisation of each molecule to a support surface can be limited to the focal point of the ultraviolet (UV) beam, as small as a few micrometers. We can immobilise molecules according to any pattern, from classical microarrays to diffraction patterns creating unique watermarking safety patterns. Given that suitable protein markers exists for all relevant diseases it is entirely feasible to test for a range of disease indicators (antigens and other markers) in a single test. Few micrometer spotsize allows for a virtually unlimited number of protein spots in a multipotent microarray. This new technology produces radically new photonics based microarray sensing technology and watermarking and has clear potential for biomedical, bioelectronic, ...
A transition from petroleum~derived jet fuels to blends with Fischer-Tropsch (F~T) fuels, and ultimately fully synthetic hydro-isomerized F-T fuels has raised concern about the fate of plasticizers in nitrile-butadiene rubber a-rings that are contacted by the fuels as this transition occurs. The partitioning of plasticizers and fuel molecules between nitrile a-rings and petroleum-derived, synthetic, and additized-synthetic jet fuels has been measured. Thermal desorption of o-rings soaked in the various jet fuels followed by gas chromatographic analysis with a mass spectrometric detector showed many of the plasticizer and stabilizer compounds were removed from the o-rings regardless of the contact fuel. Fuel molecules were observed to migrate into the o-rings for the petroleum-derived fuel as did both the fuel and additive for a synthetic F-T jet fuel additized with benzyl alcohol, but less for the unadditized synthetic fuel. The specific ...
Purpose HER2 is a transmembrane tyrosine kinase, which is overexpressed in a number of carcinomas. The Affibody molecule ZHER2:342 is a small (7?kDa) affinity protein binding to HER2 with an affinity of 22?pM. The goal of this study was to evaluate the use of ((4-hydroxyphenyl)ethyl)maleimide (HPEM) for radioiodination of ZHER2:342 and to compare the targeting properties of monomeric and dimeric forms of ZHER2:342. Methods The biodistribution of different radioiodinated derivatives of ZHER2:342 was studied in BALB/C nu/nu mice bearing HER2-expressing SKOV-3 xenografts. Biodistributions of 125I-PIB-ZHER2:342 and site-specifically labelled 125I-HPEM-ZHER2:342-C were compared. Biodistributions of monomeric 131I-HPEM-ZHER2:342-C and dimeric 125I-HPEM-(ZHER2:342)2-C were evaluated using a paire...
Abstract The synthesis, crystal structure and magnetic characterisation by magnetisation and inelastic neutron scattering (INS) of a mixed-valent Mn10 supertetrahedral aggregate [MnIII6MnII4(4-O)4(3-N3)3(3-Br)(Hmpt)6(Br)]Br0.7(N3)0.3-2-MeOH-3-MeCN (1) (H3mpt=3-methylpentan-1,3,5-triol) is reported. The magnetic core of the molecule can be described as an octahedron of six S=2 MnIII ions with four faces, each capped by a S=5/2 MnII ion such as to form the supertetrahedron. Unlike most related complexes, the molecular symmetry is slightly reduced from approximately Td to C3. The magnetic data reveal a total spin of S=22 in the ground state due to ferromagnetic exchange couplings within the molecule. The combined INS and magnetic data permits the accurate determination of the exchange couplin...
The objective of this work was to investigate the efficiency of imidazole derivatives for corrosion inhibition of copper in 0.5 M hydrochloric acid. Corrosion inhibition was studied using impedance spectroscopy. Imidazole and its derivatives 4-methylimida-zole, 4-methyl-5-hydroxymethylimidazole, 1-phenyl-4-methylimidazole, 1-(p-tolyl)-4-methylimidazole were investigated. These studies have shown that 1-(p-tolyl)-4-methylimidazole is the best inhibitor in this series and that it acts as mixed inhibitor. The nature of the chemical interaction between these molecules and the copper surface was investigated by Cu exposed to solutions having two very different pH values: 0.5 M HCl and unbuffered purified water. X-ray photoelectron spectroscopy and secondary ion mass spectrometry were used to explore the nature of the interaction. Possible mechanisms of corrosion inhibition for these molecules are discussed.
Recent research has shown that biologically inspired approaches to materials synthesis and self-assembly, hold promise of unprecedented atomic level control of structure and interfaces. In particular, the use of organic molecules to control the production of inorganic technological materials has the potential for controlling grain structure to enhance material strength; controlling facet expression for enhanced catalytic activity; and controlling the shape of nanostructured materials to optimize optical, electrical and magnetic properties. In this work, we use organic molecules to modify silver crystal shapes towards understanding the metal-organic interactions that lead to nanoparticle shape control. Using in situ electrochemical AFM (EC-AFM) as an in situ probe, we study the influence of a cationic surfactant cetyltrimethylamminobromide (CTAB) on Ag growth during electrochemical deposition on Ag(100). The results show that the organic ...
Chinese herbs have been and still are widely used as important remedies in Oriental medicine. Over the recent years, a variety of biologically active constituents have been isolated from these sources and confirmed to have multifunctional activity in experimental studies. Honokiol is a small-molecule polyphenol isolated from the genus Magnolia. It is accompanied by other related polyphenols, including magnolol, with which it shares certain biological properties. Recently, honokiol and magnolol have been found to have anti-oxidative, anti-inflammatory, anti-tumor, and anti-microbial properties in preclinical models, without appreciable toxicity. These findings have increased interest in bringing honokiol and magnolol to the clinic as novel therapeutic agents in dermatology. In this review, the findings concerning the major mechanisms of action of honokiol and magnolol are described. Knowledge of the multiple activities of honokiol and magnolol can assist with the ...
A high sensitivity (titer 60-150,000) radioimmunoassay for arginine vasopressin (AVP) has been developed using synthetic AVP as antigen and standard. The specificity of the antiserum has been characterized in detail by measuring the relative binding affinities of 29 analogs and fragments of AVP. In general, single amino acid substitution or deletion in the AVP molecule caused a reduction in binding to the antiserum; binding was further impaired for analogs which had multiple substitutions. ''Ring'' and ''tail'' fragments of the neurohypophysial hormones did not bind to the antiserum, and the only analog which the antiserum could not differentiate from AVP was deamino-AVP. More specifically, the antiserum exhibited the following properties: position 1, no requirement for a position charge at "1/_2 Cys; positions 2 and 3, requirements for #pi#-#pi# interacting pair of aromatic side chains and for Tyr at position 2; position 4, requirement for Gln (>Thr > Val); ...
The present investigation compares the suitability of two radiolabeling techniques for hemoglobin. "1"2"5I labeling of hemoglobin with Iodogen as iodinating agent caused major changes in the chromatographic behaviour and an accelerated plasma clearance of the labeled hemoglobin in rats. A recently developed two-step procedure for "9"9"mTc labeling gave better results. The label had only minimal influence on the chromatographic behaviour of hemoglobin. In vivo, no free label occurred in the circulation and no transfer of the label to other plasma proteins took place. The plasma clearance of "9"9"mTc-labeled hemoglobin in rats was slowed. However, this could be explained entirely by diminishing glomerular filtration, probably by inhibition of the dissociation of the hemoglobin molecule into dimers. The plasma clearance of hemoglobin modified by intramolecular cross-linking, which prevents dissociation of the molecule into dimers and thus ...
The role of intermediate products of dioxygen reduction in cytotoxic effects ascribed to oxygen molecules was studied in vivo using various yeast mutants with changed response to oxygen stress. It has been documented that superoxide radical exerts its deleterious effects on yeast cells directly and the role of other oxygen species derived from it is hardly detectable. Yeast Saccharomyces cerevisiae, however, cannot be considered as a typical eukaryotic organism due to its inability of synthesizing polyunsaturated fatty acids (pufa). These fatty acids are known as main target molecules during oxidative stress and their peroxidation leads to cytotoxic effects. As fatty acid content could be easily manipulated in yeast, this organism was used to evaluate the contribution of pufa peroxidation process to the cytotoxic effects of oxygen. Results obtained show, that yeast cells containing linolenic acid as the main constituent of phospholipids are ...
Aims: The production of saturated organic molecules in hot cores and corinos is not well understood. The standard approach is to assume that, as temperatures heat up during star formation, methanol and other species evaporate from grain surfaces and undergo a warm gas-phase chemistry at 100 K or greater to produce species such as methyl formate, dimethyl ether, and others. But a series of laboratory results shows that protonated ions, typical precursors to final products in ion-molecule schemes, tend to fragment upon dissociative recombination with electrons rather than just ejecting a hydrogen atom. Moreover, the specific proposed reaction to produce protonated methyl formate is now known not to occur at all. Methods: We utilize a gas-grain chemical network to probe the chemistry of the relatively ignored stage of hot core evolution during which the protostar switches on and the temperature of the surrounding gas and dust rises from 10 K to ...
The nonequilibrium Zeldovich-von Neumann-Doring theory of detonation in solid explosives is extended to include recent nanosecond and picosecond experimental and theoretical results on each of the four main regions of the reaction zone. The first region is the three-dimensional, Mach stem dominated leading shock front which excites the phonon modes of the explosive molecules in less than a picosecond. The second region is the multiphonon up-pumping process in which the excited phonons anharmonically couple to the low frequency (doorway) vibrational modes which in turn equilibrate with the higher frequency modes by internal vibrational redistribution. This process may require on the order of tens of picoseconds. The third region is the chemical reconstitution region in which the vibrationally equilibrated transition state decomposes in a series of chain reaction steps into highly vibrationally excited diatomic and triatomic molecules in ...
The e.s.r. spectra of (AsPh/sub 4/)(TcNCl/sub 4/), Cs/sub 2/(TcNCl/sub 5/), (AsPh/sub 4/)(TcNBr/sub 4/), and Cs/sub 2/(TcNBr/sub 5/) have been studied in non-aqueous and concentrated aqueous acid solutions. None of the spectra shows evidence for the co-ordination of a fifth halide ligand in the trans position, even under circumstances such as a 2 000-fold excess of halide ion, which would be expected to favour the formation of the pentahalogenonitridotechnetate ion. The predominant species in solution is the tetrahalogenonitridotechnetate ion, where the trans position may be vacant or occupied by a solvent molecule in the case of the non-aqeuous solvents and by a water molecule in the case of HCl and HBr solutions. This conclusion may be contrasted with the behaviour of a number of tetra- and penta-halogeno-oxometal complexes, where the equilibrium (MOX/sub 4/)sup(n-) + X/sup -/< - - > (MOX/sub 5/)sup(n + 1)/sup -/ is clearly established.
Previously we have used atomic force anodisation lithography, with a self-assembled monolayer of hexadecyltrichlorosilane as a resist, to pattern silicon oxide nanostructures onto a p-type silicon (1 0 0) substrate. A condensation reaction was used to immobilise carbon nanotubes with high carboxylic acid functionality directly to the silicon oxide. A further condensation reaction using this surface attached the molecule ferrocenemethanol to the bound nanotubes. These new nanostructures were used as electrodes to observe the oxidation and reduction of ferrocene. However, because the small currents measured are near the detection limits of the electrochemical system used, important electrode kinetics could not to be obtained. A scribing approach made larger regions of oxidised silicon leading to the creation of larger scale patterned arrangements of carbon nanotubes allowing measurement of important electrochemical parameters such as electrode kinetics, electron ...
Ependymal cells line the cerebral ventricles forming the interface that separates the cerebrospinal (CSF) and interstitial fluids (ISF). Extracellular molecules move between ependymal cells, whereas lipid soluble molecules pass both between and through cells. We measured the transfer of tritiated water (TOH) from CSF to blood across the ependymal and capillary interfaces by ventriculocisternal (VC) steady-state tissue clearance. Adult cats anesthetized with pentobarbital sodium underwent VC perfusion with the extracellular marker (/sup 14/C)sucrose and TOH added to the artificial CSF. Brain tissue was analyzed for depth of penetration of the isotopes into periventricular gray matter. We found that TOH distribution space was lower than expected from water content measurements, whereas sucrose space was normal. Using VC steady-state equations we calculated an ependymal permeability that was similar to the permeability of the cerebral capillary. ...
Kaolinite intercalated with potassium acetate is of great interest in the areas of environmental remediation and industrial application; however, its exact atomic structure and the changes which occur when heated have remained largely elusive. Here, neutron pair distribution function analysis is used to investigate the local structural characteristics of this complex material, revealing that hydrated potassium acetate exists as a single layer in the interlamellar spacing of kaolinite. Furthermore, the potassium ions within the intercalated complex are most likely associated with the resonance structure of the acetate molecules, and upon heating (and decomposition of the carbon containing molecules), these ions become strongly associated with the negative charge located on the oxygen atoms in the alumina layers of dehydroxylated kaolinite. Several possible orientations of hydrated potassium acetate within the interlamellar spacing of kaolinite ...
Polycyclic aromatic hydrocarbons (PAH`s) are ubiquitous hydrophobic organic pollutants in the marine environment. Many of the PAM`s are classified as possible carcinogens or mutagens, therefore they are of considerable concern to human and environmental health. The highest concentrations are found in coastal regions due to anthropogenic activities including oil spills, tanker operations, incomplete fossil fuel combustion and runoff. The sources and distribution of PAM`s in sediments are fairly well known, while the fate and transport of PAH`s in the marine environment are less known. Desorption is an important factor influencing the fate and transport of hydrophobic molecules at the seawater/sediment interface. The desorption of PAH`s from contaminated marine sediments to the water column/pore water affects the availability of the pollutant to biota. The sorption of PAH`s is determined in part by the organic carbon content of the sediments. The presence of ...
Crystalline bis(O,O'-di-sec-butyldithiophosphato)platinum(II) was prepared and studied by means of 13C, 31P CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. The unit cell of the platinum(II) compound is comprised of one centrosymmetric mononuclear molecule [Pt{S2P(O-sec-C4H9)2}2], in which the dithiophosphate groups display structural equivalence in both 31P NMR and XRD data. A pair of the dithiophosphate ligands exhibit the same S,S'-bidentate chelating structural function and form two planar four-membered chelate rings, [PtS2P], in this molecule. The planar configuration of the [PtS4] chromophore in structure 1 is governed by the dsp2-hybrid state of platinum(II). The structural states of the dithiophosphate groups in two different samples of complex 1 (one crystallised from...
The present study sought a biochemical explanation for retarded brain development in the heterozygous offspring of the phenylketonuric (PKU) mother. Two rat models of simulated maternal PKU, one induced by p-chloropheylalanine and phenylalanine and the other by phenylacetate, were employed in this investigation. Maternal PKU had no influence on cerebral concentrations of DNA, protein, and cholesterol, which were normal in the 2 d old pup. However, there was a noticeable disruption of the normal ganglioside pattern and a significant reduction of sialoglycoproteins. Concomitant with a delayed drop in the gangliosides Q/sub 1b/ and D_3, was a slower rise in M_1 and D/sub 1a/. At least 66% of sialoglycoproteins located on SDS-PAGE gel chromatograms, by radioactivity incorporated in vivo from radiolabeled N-acetylmannosamine and by ("3H) sialic acid released by neuraminidase from periodate-("3H) borohydride labeled glycoproteins, have mobilites of the cell adhesion ...
Cell-penetrating peptides (CPPs) are useful tools for the delivery of hydrophilic bioactive molecules, such as peptides, proteins, and oligonucleotides, across the cell membrane. To realize the delivery of therapeutic macromolecules by CPPs, the CPPs are required to show resistance to protease and no cytotoxicity. In order to produce potent non-toxic and protease-resistant CPPs with high cellular uptake, we designed an amphipathic helix peptide using ?-aminoisobutyric acid (Aib, U) and named it MAP(Aib). In the MAP(Aib) molecule, five Aib residues are aligned on the hydrophobic face of the helix and five lysine (K) residues are aligned on the hydrophilic face. MAP(Aib) showed potent resistance to trypsin and pronase compared with MAP, an amphipathic helix peptide formed by usual amino acids. Fluorescein-labeled MAP(Aib) efficiently traversed the A549 cell membrane, diffusing into the cytoplasm and slightly into the nucleus without exerting any ...
We have performed a detailed analysis of water clustering and percolation in hydrated Nafion configurations generated by classical molecular dynamics simulations. Our results show that at low hydration levels H2O molecules are isolated and a continuous hydrogen-bonded network forms as the hydration level is increased. Our quantitative analysis has established a hydration level (?) between 5 and 6 H2O/SO3- as the percolation threshold of Nafion. We have also examined the effect of such a network on proton transport by studying the structural diffusion of protons using the quantum hopping molecular dynamics method. The mean residence time of the proton on a water molecule decreases by two orders of magnitude when the ? value is increased from 5 to 15. The proton diffusion coefficient in Nafion at a ? value of 15 is about 1.1x10-5 cm2/s in agreement with experiment. The results provide quantitative atomic-level evidence of water network ...
We report a simple method for the label-free detection of double-stranded DNA using surface-enhanced Raman scattering (SERS). We prepared cetyltrimethylammonium bromide (CTAB)-capped silver nanoparticles and a DNA-nanoparticle complex by adding silver nanoparticles to {lambda}-DNA solutions. In the present study, the utilization of CTAB-capped silver nanoparticles facilitates the electrostatic interaction between DNA molecules and silver nanoparticles; at the same time, the introduction of DNA avoids adding aggregating agent for the formation of nanoparticle aggregates to obtain large enhancement of DNA, because the DNA acts as both the probe molecules and aggregating agent of Ag nanoparticles. Atomic force microscopy (AFM) studies show that the morphology of DNA-Ag nanoparticle complexes seems to be determined by the concentrations of the DNA and the nanoparticles. Surface-enhanced Raman scattering (SERS) studies show that the morphology of ...
The e.s.r. spectra of [AsPh_4][TcNCl_4], Cs_2[TcNCl_5], [AsPh_4][TcNBr_4], and Cs_2[TcNBr_5] have been studied in non-aqueous and concentrated aqueous acid solutions. None of the spectra shows evidence for the co-ordination of a fifth halide ligand in the trans position, even under circumstances such as a 2 000-fold excess of halide ion, which would be expected to favour the formation of the pentahalogenonitridotechnetate ion. The predominant species in solution is the tetrahalogenonitridotechnetate ion, where the trans position may be vacant or occupied by a solvent molecule in the case of the non-aqeuous solvents and by a water molecule in the case of HCl and HBr solutions. This conclusion may be contrasted with the behaviour of a number of tetra- and penta-halogeno-oxometal complexes, where the equilibrium [MOX_4]sup(n-) + X"-< - - > [MOX_5]sup(n + 1)"- is clearly established. (author).
In this paper we consider the adsorption of argon on the surface of graphitized thermal carbon black and in slit pores at temperatures ranging from subcritical to supercritical conditions by the method of grand canonical Monte Carlo simulation. Attention is paid to the variation of the adsorbed density when the temperature crosses the critical point. The behavior of the adsorbed density versus pressure (bulk density) shows interesting behavior at temperatures in the vicinity of and those above the critical point and also at extremely high pressures. Isotherms at temperatures greater than the critical temperature exhibit a clear maximum, and near the critical temperature this maximum is a very sharp spike. Under the supercritical conditions and very high pressure the excess of adsorbed density decreases towards zero value for a graphite surface, while for slit pores negative excess density is possible at extremely high pressures. For imperfect pores (defined as pores that cannot ...
Many attempts have been made to generate reliable thermodiffusion coefficient models for binary mixtures. This paper presented a simple analytical model for the prediction of thermal diffusion coefficients in linear chain hydrocarbon binary mixtures using the thermodynamics of irreversible process. More specifically, the model represented the net heat transport, or the energy of detaching a molecule from its neighbours in the region of the binary mixture minus the energy given up in that region when one molecule fills a hole, and examined its accuracy by comparing theoretical results with available experimental data for linear chain hydrocarbon binary mixtures. The new model was based on phenomenological and kinetic approaches which have been found to be the most reliable. The paper discussed the net heat of transport for each component in the binary mixtures and presented the results of the investigation. The perturbed chain statistical ...
The authors described a method for determination of tissue renin activity with heterologous substrate. The preparation of the substrate was performed at several stages: salting with amonium sulfate; dialisis of the precipitate till complete separation of amonium sulfate molecules; distruction of angiotensinases by interchangeble souring and alcalization of the medium; lyophylization of the pure substrate. The obtained renin-substrate was preserved in ampules and its usage had a series of advantages--duration, economic, a possibility for standartization of the determination, etc., which were described in details in the article. The described in details also the quantitative determination of the renin activity in the tissues (renal and cerebral) with the help of the obtained substrate as the moments, modiied by the authors, were indicated. PMID:436712
Electronic circular dichroism (ECD) of the n-#pi# and #pi# -#pi# transitions of the amide groups in the ultraviolet has become an indispensable tool for qualitative characterization of proteins in solution. Since the existence of such a spectrum (that is, of natural optical activity) comes from the three dimensional interaction of the chromophores in the molecule, CD is exquisitely sensitive to molecular conformation. However, in proteins, the amide transitions available in the near UV are limited in number and are broads and overlapping. Interactions among them yield information about the polymeric backbone, but since such amide electronic excitation are relatively delocalized, the resulting
We studied a novel universal spectrochemical series of six-coordinated octahedral 3d transition metal complexes, which can be used for any combination of central metal atom and ligand molecules. A two dimensional spectrochemical series could be used to estimate the ligand field splitting energy of not only known compounds but also the unknown compounds. Therefore, it should be possible to control the physical properties, such as the electronic and magnetic properties and the optical phenomena of octahedral transition metal complexes by modifying the ligand field splitting. PMID:19378561
Transverse glow discharges in supersonic air and methane flows are studied both experimentally and theoretically. The experiments show that a diffuse volume discharge filling the whole cross section of the flow can easily be initiated in air, whereas a diffuse discharge in a methane flow shows a tendency to transition into a constricted mode. The electron transport coefficients (mobility and drift velocity) and the kinetic coefficients (such as collisional excitation rates of the vibrational levels of a methane molecule, as well as dissociation and ionization rates) are calculated by numerically solving the Boltzmann equation for the electron energy distribution function. The calculated coefficients are used to estimate the parameters of the plasma and the electric field in the positive co...
We describe a class of organic molecular magnets based on zwitterionic molecules (betaine derivatives) possessing donor, p bridge, and acceptor groups. Using extensive electronic structure calculations we show the electronic ground-state in these systems is magnetic. In addition, we show that the large energy differences computed for the various magnetic states indicate a high Neel temperature. The quantum mechanical nature of the magnetic properties originates from the conjugated p bridge (only p electrons) in cooperation with the molecular donor-acceptor character. The exchange interactions between electron spin are strong, local, and independent on the length of the p bridge.
We investigate the radiative decays of the {phi}-meson to the scalar mesons a{sub 0}(980) and f{sub 0}(980). We demonstrate that, contrary to earlier claims, these decays should be of the same order of magnitude for a molecular state and for a compact state and, therefore, the available experimental information is consistent with both a molecular as well as a compact structure of the scalars. Thus, the radiative decays of the {phi}-meson into scalars establish a sizable K anti K component of the scalar mesons, but do not allow to discriminate between molecules and compact states. (orig.)
The pH of the solution is shown to significantly effect the reflection anisotropy spectroscopy (RAS) profiles of adenine adsorbed at Au(110)/electrolyte interfaces. At pH 12.8 the net adsorption is very weak due the formation of negative adenine ions in solution. The sensitivity of the RAS profiles to the pH of the solution is probably due to a change in the geometry of the adsorbed molecules caused by a disruption of the base stacking configuration that is adopted when adenine is adsorbed from solutions at pH 7.1. (Abstract Copyright [2010], Wiley Periodicals, Inc.)
Transforming growth factor beta (TGF-@b) has a crucial role in the differentiation of ectodermal cells to neural or epidermal precursors. TGF-@b and bone morphogenetic protein molecules (BMPs) are involved in many developmental processes, including cell proliferation and differentiation, apoptosis, mitotic arrest and intercellular interactions during morphogenesis. Additionally, the failure of central thymic tolerance mechanisms, leading to T cells with a skewed autoreactive response, is being described as a contributor in inflammatory processes in autoimmune diseases such as multiple sclerosis. Since TGF-@b and BMP proteins are crucial for the development of the neural system and the thymus, as well as for the differentiation of T cells, it is essential to further investigate their role i...
The objectives of this project were to develop feasible synthetic routes to produce (1) 4(4{prime}-hydroxy-5{prime}6{prime},7{prime}8{prime}-tetrahydro-1{prime}-naphthylmethyl)-6-methyldibenzothiophene, and (2) a 1-hydroxynaphthalene-dibenzothiophene polymer. These compounds are thought to be representative of sulfur containing molecules in coal. The program was divided into two technical tasks. Unfortunately, the attempted syntheses of these compounds was unsuccessful due to their unusual reactivities. Attempted synthetic routes and possible future routes are described, and Appendix A lists the compounds that were synthesized during this program.
A few metal complexes of isatin-isonicotinoylhydrazone with Ni(II), Cr(III), Co(II), Cu(II), Zn(II) and Cd(II) have been prepared and characterized on the basis of elemental analyses, infrared and electronic spectra as well as "1H NMR spectra, conductivity and magnetic measurements. In view of the results obtained, it has been found that two molecules of isatin-isonicotinoylhydrazone are chelated to the central metal ion as bis-uninegative ONO tridentate ligand forming non-electrolytic octahedral metal complexes. (author)
The authors attemps to confirm a modification of the phase-absprotion method applicable to the study of the decay rate of energy stored in the upper level in the active medium of a CO/sub 2/-laser. The essence of the method is described. Relationships are determined which allow one to obtain the unknown parameters of the experimentally measured phase shift. The work exeprimentally shows the possibility of studying vibratioanl relaxation in the active medium of a CO/sub 2/-laser by the phase-absorption method using both ordinary and isotope-substitued molecules.
Having simple and highly symmetric structure, solid hydrogen is a useful matrix on the study of radiation-chemical processes in solid phase which have been less understood in previous studies. We have found three outstanding findings: resonance effects on the tunneling reaction H+H{sub 2} {yields} H{sub 2} + H, effects of pressure on the dissociation and recombination of H{sub 2} molecules in solid hydrogen, and high-resolution ESR spectroscopy using a solid parahydrogen matrix. (author)
We consider non-relativistic systems in quantum mechanics interacting through the Coulomb potential, and discuss the existence of bound states which are stable against spontaneous dissociation into smaller atoms or ions. We review the studies that have been made of specific mass configurations and also the properties of the domain of stability in the space of masses or inverse masses. These rigorous results are supplemented by numerical investigations using accurate variational methods. A section is devoted to systems of three arbitrary charges and another to molecules in a world with two space-dimensions.
The dependence of the mobility of DNA molecules through an hexagonal array of micropillars on their length and the applied electric field was investigated and it was found that mobility is a nonmonotonic function of their length. Results also revealed that the size dependence of the DNA mobility depends on the applied electric field and there is a crossover around E 25 V/cm for the mobility of l-DNA and T4-DNA. These observations are explained in terms of the diffusion process inside the structure affected by the solvent and are modeled using the Langevin and its corresponding Fokker-Planck equations. The phenomenon is generalized under three regimes in a phase diagram relating the electric field and the DNA lengths. The model and the associated phase diagram described here provide an expl...
Abstract Over the last decade, the environmental sciences have witnessed an incredible movement towards the utilization of high-throughput molecular tools that are capable of detecting simultaneous changes of hundreds, and even thousands, of molecules and molecular components after exposure of organisms to different environmental stressors. These techniques have received a great deal of attention because they not only offer the potential to unravel novel mechanisms of physiological and toxic action but are also amenable to the discovery of biomarkers of exposure and effects. In this article, we review the state of knowledge of one of these tools in ecotoxicological research: proteomics. We summarize the state of proteomics research in fish, and follow with studies conducted with aquatic in...
Chlorophyll a, chlorophyll b, and bacteriochlorophyll a in aqueous micellar solutions of Trition X 100 (2%) are readily oxidized by pulse-radiolytically generated N_3., Br_2"-., and (SCN)_2"-. radicals at nearly diffusion-controlled rates. The kinetic study suggests that pigment molecules occupy multiple sites in the micelle. Pheophytin a is only oxidized by N_3. and Br_2"-. radicals. The absolute spectra and the molar extinction coefficients of chlorophyll a, bacteriochlorophyll a, chlorophyll b, and pheophytin a cations have been determined. The chlorophyll a cation has been observed in the presence of pigment aggregates.
One of the major scientific and technological challenges for the production of flexible organic electronic devices is the device protection against atmospheric molecule permeation, which causes corrosion reducing its operation and lifetime. In this work, Spectroscopic Ellipsometry has been implemented to investigate the influence of silicon dioxide nanoparticles on the optical properties of hybrid polymers. The spectra analysis revealed valuable information about the electronic and vibrational response as well as the cross-linking mechanisms of these materials. The correlation of the optical properties with the synthesis parameters and the barrier response will contribute towards their optimization in order to be used as high barrier coatings for flexible organic electronics applications.
Applying the thermochemical selectivity criterion of Hadnett et al. It is shown that the selectivity of the furan formation is not limited by a too low strength of the C-H bonds in furan when compared with the C-H bond dissociation energy in the educt molecule butadiene. In the oxidation of butadiene on a CsH{sub 2}PMo{sub 12}O{sub 40} catalyst a maximum yield of 22 mol% furan has been obtained. To improve this comparatively low furan yield oxidation activity of the catalyst must be lowered to prevent the consecutive reaction to maleic anhydride. (orig.)
Biomonitoring requires the application of batteries of different biomarkers, as environmental contaminants induce multiple responses in organisms that are not necessarily correlated. Omic technologies were proposed as an alternative to conventional biomarkers since these techniques quantitatively monitor many biological molecules in a high-throughput manner and thus provide a general appraisal of biological responses altered by exposure to contaminants. As the studies using omic technologies increase, it is becoming clear that any single omic approach may not be sufficient to characterize the complexity of ecosystems. This work aims to provide a preliminary working scheme for the use of combined transcriptomic and proteomic methodologies in environmental biomonitoring. There are difficulti...
Methods and apparatus for detecting the presence of explosives by analyzing a vapor sample from the suspect vicinity utilize at least one microcantilever. Explosive gas molecules which have been adsorbed onto the microcantilever are subsequently heated to cause combustion. Heat, along with momentum transfer from combustion, causes bending and a transient resonance response of the microcantilever which may be detected by a laser diode which is focused on the microcantilever and a photodetector which detects deflection of the reflected laser beam caused by heat-induced deflection and resonance response of the microcantilever. 2 figs.
Despite their simplicity, diatomic molecules of first row elements can exhibit very complex phase diagrams. Determination of the phase diagrams can be further complicated by the existence of hysteretic molecular phases that can be observed over large regions of coexistence. Here we present evidence for a previously unreported molecular phase of nitrogen existing at room temperature at least over the range of 33-74 GPa. Our measurements show that sample history may have a significant impact on the thermodynamic states accessed by the molecular nitrogen solid and, by extension, also on the established phase diagram.
We briefly report on zero-temperature photoassociation of a Bose-Einstein condensate, focusing on the many-body rate limit for atom-molecule conversion. An upgraded model that explicitly includes spontaneous radiative decay leads to an unanticipated shift in the position of the photoassociation resonance, which affects whether the rate (constant) maximizes or saturates, as well as the limiting value itself. A simple analytical model agrees with numerical experiments, but only for high density. Finally, an explicit comparison with the two-body unitary limit, set by the size of the condensate, finds that the many-body rate limit is generally more strict.
ObjectivesNot EnteredDescriptionMethane hydrate in an ice-like substance consisting of molecules of methane gas combined chemically with water. It is stable at high pressures and low temperatures. Since the ocean floor is normally cold, but temperatures increase with depth inside the Earth, such conditions normally prevail for a few hundred meters below the seafloor where the ocean depth is more than a few hundred metres. Methane beneath the ocean floor is formed by the decomposition of organic material. At the edges of the co [continued...
A surface may provide a useful pumping action when able to retain adsorbed gas molecules for the duration of a given experiment. To fulfil this condition at room temperature, strong binding forces, as those resulting from chemical reactions, are required. Materials able to react with gases to form stable chemical compounds are called getters. The two main families of getters (evaporable and non-evaporable, or NEG) are presented and discussed. Special emphasis is placed on the NEG strips currently used for the vacuum systems of particle accelerators, and on the newly developed NEG thin-film coatings, in view of their possible future applications.
Experimental investigation data are systematized of free radical states and processes in irradiated proteins. The investigation is performed by the radiospectral methods. Results are discussed in detail of the study of free radicals electronic structure of amino acids, peptides and proteins formed by the action of ionizing radiation. The specificity is stressed of the study of monocrystalls of these compounds by the method of electronic paramagnetic resonance. The nature is also studied of primary centres formed under the effect of radiation on biologically important compounds and their subsequent reactions in solid and liquid solutions. Ion-radical states of different functional groups of the protein molecule are studied. Prospects of the study and the role of anion-radicals in biological processes are discusses.
The mono- and intramolecular cation-radicals (CR) reactions of diethylmercury in the CFCl_3, CFCl_2CF_2Cl matrices and CF_2BrCF_2Br and CFCl_3 freons vitrified mixture (1:1) were studied through the EPR method. Formation of radical products of transformations of the initial CR diethylmercury (X-ray radiation dose - 100-200 Gy at the temperature of 293 K) was studied through the spin trap of 2.4.6 - tri-tret-butylnitrosebenzene.
We have demonstrated fluorescence resonance energy transfer (FRET) between lanthanide-ion doped oxide nanoparticles acting as donors and organic acceptor molecules (Cy5). Due to the long nanoparticle lifetime and the large Stokes shift between nanoparticle absorption and emission, unambiguous and precise FRET measurements can be performed despite the presence of large free acceptor oncentrations. We determined FRET efficiencies as a function of Cy5 concentration which are in very good agreement with a multiple acceptor-multiple donor calculation.
The Smidsrod empirical stiffness parameter (B) of A. occidentale and A. lebbeck gum were determined using the correlation of intrinsic viscosity [#eta#] with ionic strength. The B value of 0.204 and 0.193 found respectively for A. occidentale and A. lebbeck suggests a flexible the molecule. The ionic strength has a greater influence on the [#eta#]. The decrease of [#eta#] increase of I, from 0.01 M to 0.1 M of NaCl, is higher for A. lebbeck (89%) than for A. occidentale (19%). (author)
Here I provide a brief overview of recent experimental gas-phase measurements using the Selected-Ion Flow Tube or SIFT technique at 294#+-#2 K with helium buffer gas at 0.35 Torr for reactions which remove electrons from the C_6_0 molecule or donate electrons to singly and multiply-charged C_6_0 cations. The results of these measurements have provided new insight into physicochemical aspects of electron transfer and have revealed the occurrence of unprecedented electron transfer reactions at thermal energies. (author).
We demonstrated that the intensity levels and lifetimes of two-photon autofluorescences (2PAF) in human liver tissues can be exploited to diagnose hepatocellular carcinoma (HCC). Excited by an infrared femtosecond laser, we suppressed the two-photon autofluorescences of most endogenous fluorophores and made red autofluorescences more specific to particular molecules in the cryo-sectioned human livers. Using such fluorescence contrast, we found HCC tissues have reduced levels of 2PAF and longer fluorescence lifetime.
The development of detailed chemical kinetic reaction mechanisms for analysis of autoignition and knocking of hydrocarbon fuels is described. In particular, kinetic processes of concern for the oxidation of complex hydrocarbon fuel molecules are emphasized. The wide ranges of temperature and pressure which are encountered by end gases in automobile engine combustion chambers result in extreme demands on reaction mechanisms which are intended to describe knocking conditions and predict rates of combustion and ignition. The reactions and chemical species which are most important in each temperature and pressure regime are discussed, and the validation of these reaction mechanisms through comparison with idealized experimental results is described. 53 refs., 8 figs., 5 tabs.
The inelastic scattering of the beam and the residual gas molecules in RHIC could represent one of the limitations on the beam life time and emittance growth. This report covers the dominant central nuclear collisions influence on the beam lifetime and transverse emittance growth. The cross sections for the beam-gas electron radiative captures are an order of magnitude smaller. The capture cross sections include the radiative and non-radiative capture, and the capture from the electron-positron pair creation from the 'vacuum capture'.
A solid electrolytic capacitor having a solid electrolyte comprising manganese dioxide dispersed in an aromatic polyamide capable of further cure to form polyimide linkages, the solid electrolyte being disposed between a first electrode made of valve metal covered by an anodic oxide film and a second electrode opposite the first electrode. The electrolyte autogenously produces water, oxygen, and hydroxyl groups which act as healing substances and is not itself produced pyrolytically. Reduction of the manganese dioxide and the water molecules released by formation of imide linkages result in substantially improved self-healing of anodic dielectric layer defects.
In this article, several applications of nanomaterials in food packaging and food safety are reviewed, including: polymer/clay nanocomposites as high barrier packaging materials, silver nanoparticles as potent antimicrobial agents, and nanosensors and nanomaterial-based assays for the detection of food-relevant analytes (gasses, small organic molecules and food-borne pathogens). In addition to covering the technical aspects of these topics, the current commercial status and understanding of health implications of these technologies are also discussed. These applications were chosen because they do not involve direct addition of nanoparticles to consumed foods, and thus are more likely to be marketed to the public in the short term.
Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)
The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?(r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of ...
The adsorption of benzyl alcohol and 1-phenylethanol on graphitized thermal carbon black at 300 K is investigated. Thermodynamic characteristics of the adsorption of conformers stable in the gas phase and in the adsorbed state are determined by a molecular statistics method. The geometry of the molecules is optimized using the MP2 and B3LYP methods with a 6-311++G(d,p) basis set. Using the PBE0/6-31G(d) method, it is established that, in the adsorption of benzyl alcohol, two types of interactions, CH?O and OH??GTCB, occur. It is shown that, in 1-phenylethanol, intramolecular interactions are maintained.
Purpose - The purpose of this paper is to evaluate the corrosion inhibition potential of mangrove (Rhizopora apiculata) tannin in hydrochloric acid medium on copper with the view of developing a natural corrosion inhibitor. Design/methodology/approach - The mangrove tannin was extracted from the mangrove bark and its anticorrosion potential was studied by weight loss, electrochemical and scanning electron microscopy (SEM) analysis. Findings - It has been found that the mangrove tannin effectively inhibits the corrosion on copper metal in hydrochloric acid solution. The results of the electrochemical and weight loss methods showed that the inhibition efficiency of mangrove tannin increases with increasing its concentration. Inhibition is achieved through the adsorption of tannin molecules o...
A new potential function based on spectroscopic results for diatomic molecules is presented and applied to the hydrogen bonding systems. The potential energy of interaction is supposed to have electrostatic, polarization, dispersion, repulsion and effective charge-transfer contributions. Estimates of the effective charge-transfer quantity have been made based on the average charge of the proton donor and the acceptor atoms. For dimers such as water, methanol, acetic acid and formic acid, the vibrational stretching frequencies and dimerization energies are calculated and discussed in connection with Badger-Bauer rule. (author).
One approach to validate nuclear power plant (NPP) signals makes use of pattern recognition techniques. This approach often assumes that there is a set of signal prototypes that are continuously compared with the actual sensor signals. These signal prototypes are often computed based on empirical models with little or no knowledge about physical processes. A common problem of all data-based models is their limited ability to make predictions on the basis of available training data. Another problem is related to suboptimal training algorithms. Both of these potential shortcomings with conventional approaches to signal validation and sensor operability validation are successfully resolved by adopting a recently proposed learning paradigm called the support vector machine (SVM). The work presented here is a novel application of SVM for data-based modeling of system state variables in an NPP, integrated with a nonlinear, nonparametric technique called the multivariate ...
BackgroundMetastases to the stomach from an extra-gastric neoplasm are an unusual event, identified in less than 2% of cancer patients at autopsy. The stomach may be involved by hematogenous spread from a distant primary (most commonly breast, melanoma or lung), or by contiguous spread from an adjacent malignancy, such as the pancreas, esophagus and gallbladder. These latter sites may also involve the stomach via lymphatic or haematogenous spread. We present three cases of secondary gastric malignancy.Methods/ResultsThe first is a 19-year-old male who received a diagnosis of testicular choriocarcinoma in September 2004. Metastatic malignancy was demonstrated in the stomach after partial gastrectomy was performed to control gastric hemorrhage.The second is a 75-year-old male, generally well, who was diagnosed with adenocarcinoma of the lung in September 2005. Poorly differentiated adenocarcinoma of the lung was demonstrated in a subsequent biopsy of "gastric polyps".The third is an ...
The ALICE heavy-ion particle physics experiment is currently being built at CERN near Geneva. It will use a PC cluster of 900 dual-processor machines for the last stages of the data readout process and a network of 400 microcomputers for the configuration and control of the cluster nodes. One of the most important objectives to be achieved in such experiments is to guarantee the utilized devices are running correctly during the experiment life-time. A second aspect is the extremely high availability and reliability requirements of the applications being run, the so called high level trigger (HLT). The SysMES framework is a scalable, decentralized, fault tolerant, dynamic, rule based tool set for the monitoring of networks of target systems and applications. The management algorithms consist of the following steps: system and application monitoring, recognition of undesirable states, event (message) generation, local event handling on the target, event forwarding to ...
Lectin is a generic name of sugar binding protein in living organisms. With an objective to clarify physiological functions of lectin in marine invertebrates and utilize it as a useful material in the bio-chemical industry, studies were carried out on the chemical structure, distribution in living organisms and structural changes of lectin. Lectin is involved with such physiological actions as immunity reactions, generation and differentiation, Ca fixation and symbiosis. Lectin is one of the main components of lymph fluid in shellfish and crustacean, and is a multi-functional polymer that is related with foreign substance recognition, Ca transport, and shell formation. Lectin of a certain kind shows strong actions to accelerate cell division. Organs and cells were cultivated for lectin producing organs and lectin producing cells to verify the production thereof. Elucidation was attempted in a molecular level on such physiological functions as foreign substance ...
Instrumentation research to study the feasibility of using optical data processing techniques to solve real-time pattern recognition problems for high energy physics experiments is now in its second year. During the past year, a prototype optical processor for use in BNL Experiment 702 was conceived and designed, using test data from the experiment and simulating the optical processor in the computer. A number of technical studies have been made, mostly relating to the selection of the optical filter for the processor. Comparisons between natural and synthetic holograms, both bleached and unbleached, have been made. We conclude from these tests that the kinoform, a computer-generated phase hologram, is the optimal choice for this processor. A new method for producing the kinoform has been tried by this group with encouraging results. The optical design for the prototype processor is complete, and the required optical elements, sources, and the detector have all ...
This study reports on an examination of the effectiveness of a reading intervention for adults with disabilities in a vocational rehabilitation setting. Participants were 57 adults with disabilities and low reading skills enrolled at the Reading Clinic at the Michigan Career and Technical Institute. As part of a 3-year research and demonstration grant evaluation project, participants received an individualized reading intervention that targeted phonological processing, orthographic pattern recognition, and comprehension for adults with disabilities and low reading levels. The particular program incorporated fluency exercises at every level of the structured, explicit, and systematic intervention curriculum. Results showed that participants made moderate to large gains in passage reading accuracy and comprehension during the course of the intervention. Gains in passage reading rate were not statistically significant. Results are discussed in relation to theories of ...
Theoretical prediction of nuclear masses is analyzed as a pattern recognition problem on the N-Z plane. A global pattern is observed by plotting the differences between measured masses and Liquid Drop Model (LDM) predictions. After unfolding the data by removing the smooth LDM mass contributions, the remaining microscopic effects have proved difficult to model, although they display a striking pattern. These deviations carry information related to shell closures, nuc]ear deformation and the residual nuclear interactions. In the present work the more than 2000 known nuclear masses are studied as an array in the N-Z plane viewed through a mask, behind which the approximately 7000 unknown unstable nuclei that can exist between the proton and neutron drip lines are hidden. We show here that employing a Fourier transform deconvolution method these by masses can be predicted with similar accuracy than standard methods. We believe that a more general approach needs to be ...
Theoretical prediction of nuclear masses is analyzed as a pattern recognition problem on the N-Z plane. A global pattern is observed by plotting the differences between measured masses and Liquid Drop Model (LDM) predictions. After unfolding the data by removing the smooth LDM mass contributions, the remaining microscopic effects have proved difficult to model, although they display a striking pattern. These deviations carry information related to shell closures, nuc]ear deformation and the residual nuclear interactions. In the present work the more than 2000 known nuclear masses are studied as an array in the N-Z plane viewed through a mask, behind which the approximately 7000 unknown unstable nuclei that can exist between the proton and neutron drip lines are hidden. We show here that employing a Fourier transform deconvolution method these by masses can be predicted with similar accuracy than standard methods. We believe that a more general approach needs to be ...
To keep up with the speeds of modern production lines, most machine vision applications require very powerful computers (often parallel-processing machines), which process millions of points of data in real time. The human brain performs approximately 100 billion logical floating-point operations each second. That is 400 times the speed of a Cray-1 supercomputer. The right software must be developed for parallel-processing computers. The NSF has awarded Rensselaer Polytechnic Institute (Troy, N.Y.) a $2 million grant for parallel- and image-processing software research. Over the last 15 years, Rensselaer has been conducting image-processing research, including work with high-definition TV (HDTV) and image coding and understanding. A similar NSF grant has been awarded to Michigan State University (East Lansing, Mich.) Neural networks are supposed to emulate human learning patterns. These networks and their hardware implementations (neurocomputers) show a great deal of promise for ...
Sequence stratigraphic interpretation of paralic successions is complicated by the complex interfingering of marine and continental strata. The successions may also include terrestrial extensions of marine parasequences and completely independent lacustrine parasequence analogues. Failure in recognizing the possible interbedding of these two independent parasequence types may lead to construction of sequence stratigraphic schemes based on incompatible data sets. We have studied a Lower Jurassic paralic section from the Baltic island of Bornholm. The Hettangian-Sinemurian Sose Bugt Member (Ronne Formation) of Bornholm includes lacustrine, fluvial and restricted marine, estuarine deposits reflecting the basin-margin position. Biostatigraphic resolution is poor and a sequence stratigraphic interpretation of the paralic succession is far from straightforward. A multidisciplinary approach including facies analysis, recognition and lateral tracting of key surface, ...
Photorefractives, in general, are among the most promising materials solutions to real time optical correlation. Applications include military target recognition and civilian robotic vision. Crystals of sillenite structure photorefractives, Bi12XO20, where X equals Si, Ge, or Ti, have been grown by melt techniques and in the case of bismuth silicon oxide (BSO) and bismuth titanium oxide (BTO) by the hydrothermal method of high-temperature/high-pressure solution growth. The two growth methods are discussed and crystals grown by the two methods are compared in this paper. Optical absorption and TSC studies show that hydrothermal BSO is essentially free of the native antisite Bi defect which usually acts as a donor. These studies also show that the trap density is greatly reduced in hydrothermal material. Preliminary experiments show that hydrothermal BTO crystals have improved properties over melt grown samples. Al and P act as donors and acceptors respectively and ...
Model-based approaches to pattern recognition and machine vision have been proposed to overcome the exorbitant training requirements of earlier computational paradigms. However, uncertainties in data were found to lead to a combinatorial explosion of the computational complexity. This issue is related here to the roles of a priori knowledge vs. adaptive learning. What is the a-priori knowledge representation that supports learning? I introduce Modeling Field Theory (MFT), a model-based neural network whose adaptive learning is based on a priori models. These models combine deterministic, fuzzy, and statistical aspects to account for a priori knowledge, its fuzzy nature, and data uncertainties. In the process of learning, a priori fuzzy concepts converge to crisp or probabilistic concepts. The MFT is a convergent dynamical system of only linear computational complexity. Fuzzy logic turns out to be essential for reducing the combinatorial complexity to linear one. I ...
In the paper, a fuzzy decision-making methodology is presented to decide the generation schedule of long-term hydrothermal problems with explicit recognition of statistical uncertainties in system production cost data, NO{sub x} emission data, system load demand and hydro reservoir water inflows. In deciding the optimal operation, three objectives operating cost, NO{sub x} emission and unsatisfied load demand over the whole of the planning period are simultaneously minimised. Specific technique is put forth to convert the stochastic models into their deterministic equivalents. The weighted minimax method is used to simulate the tradeoff relation between the conflicting objectives in the non-inferior domain. The fuzzy set theory is exploited to choose the best operating point over the tradeoff curve. An efficient decomposition technique is applied to reduce the complexity of the problem. In each subproblem, thermal generations are obtained by using simplified method ...
Molecular imaging represents a modern research area that allows the in vivo study of molecular biological process kinetics using appropriate probes and visualization methods. This methodology may be defined- apart from the contrast media injection - as non-abrasive. In order to reach an in vivo molecular process imaging as accurate as possible the effects of the used probes on the biological should not be too large. The contrast media as important part of the molecular imaging can significantly contribute to the understanding of molecular processes and to the development of tailored diagnostics and therapy. Since more than 15 years PTB is developing optic imaging systems that may be used for fluorescence based visualization of tissue phantoms, small animal models and the localization of tumors and their predecessors, and for the early recognition of inflammatory processes in clinical trials. Cellular changes occur during many diseases, thus the molecular imaging ...
Finding "densely connected clusters" in a graph is in general an important and well studied problem in the literature \\cite{Schaeffer}. It has various applications in pattern recognition, social networking and data mining \\cite{Duda,Mishra}. Recently, Ames and Vavasis have suggested a novel method for finding cliques in a graph by using convex optimization over the adjacency matrix of the graph \\cite{Ames, Ames2}. Also, there has been recent advances in decomposing a given matrix into its "low rank" and "sparse" components \\cite{Candes, Chandra}. In this paper, inspired by these results, we view "densely connected clusters" as imperfect cliques, where imperfections correspond missing edges, which are relatively sparse. We analyze the problem in a probabilistic setting and aim to detect disjointly planted clusters. Our main result basically suggests that, one can find \\emph{dense} clusters in a graph, as long as the clusters are sufficiently large. We conclude ...
Steam generator tubes in nuclear power plants are periodically checked by means of eddy current probes. The output of a probe is composed of three types of signals: known events (rolling zone, support plates, U-bend part), noise (mainly metallurgical noise) and possible flaws. The latter are random transients, both in arrival time and in shape: they have to be detected and then estimated, before to be fed to the high level stages of a diagnostics system. The objective of the study presented is to develop a semi-automatic system, which could manage and process more than 1 M-bytes of data per tube and provide an operator with reliable diagnostics proposals within a few minutes. This can be achieved only by cooperation of several digital signal processing techniques: detection, segmentation, estimation, noise subtraction, adaptive filtering, modelization, pattern recognition. The paper describes some of these items.
Steam generator tubes in nuclear power plants are periodically checked by means of eddy current probes. The output of a probe is composed of three types of signals: known events (rolling zone, support plates, U-bend part), noise (mainly metallurgical noise) and possible flaws. The latter are random transients, both in arrival time and in shape: they have to be detected and then estimated, before to be fed to the high level stages of a diagnostic system. The objective of the study presented is to develop a semi-automatic system, which could manage and process more than 1 M-bytes of data per tube and provide an operator with reliable diagnostics proposals within a few minutes. This can be achieved only by cooperation of several digital signal processing techniques: detection, segmentation, estimation, noise subtraction, adaptive filtering, modelization, pattern recognition. The paper describes some of these items.
Mass density of a composite is generally taken as the volume-averaged value of components' densities. Moreover, the same volume-averaged mass density is usually used to calculate the wave speed in the long-wavelength limit, i.e., where the wavelength is much larger than the size of the inhomogeneities. In this paper, we show via rigorous derivation that the dynamic mass density used in the calculation of (long-wavelength) wave speed can differ significantly from the static volume-averaged value. This recognition is shown to yield an excellent account of some recent experimental data, as well as to make possible the realization of acoustic metamaterials. Physical reason for the difference between two mass densities is attributed to the relative motion between the components. That is, the implicit assumption-that all components in a composite must move uniformly in the long-wavelength limit-can be violated in the limit of large acoustic impedance contrast ...
The CMS detector (Compact Muon Solenoid) is under construction at one of the four proton-proton interaction points of the LHC (Large Hadron Collider) at CERN, the European Organization for Nuclear Research (Geneva, Switzerland). The inner tracking system of the CMS experiment consisting of silicon detectors will have a diameter of 2.4 m and a length of 5.4 m representing the largest silicon tracker ever. About 15000 silicon strip modules create an active silicon area of 200 m2 to detect charged particles from proton collisions. They are placed on a rigid carbon fibre structure, providing stability within the working conditions of a 4 T solenoid magnetic field at ?10oC. Knowledge of the position of the silicon detectors at the level of 100 ?m is needed for an efficient pattern recognition of charged particle tracks. Metrology methods are used to survey tracker subdetectors and the integrated Laser Alignment System (LAS) provides absolute positioning of support ...
Gallstone is a common disease with a 10% prevalence in the United States and Western Europe. However, it is only symptomatic in 20-30% of patients, with biliary pain "colic" being the most common symptom. Complications of asymptomatic gallstone disease are generally rare, with an incidence of <1 %/yr. The most common complications of gallstone disease are acute cholecystitis, acute pancreatitis, ascending cholangitis, and gangrenous gallbladder. Less frequent complications include Mirizzi syndrome, cholecystocholedochal fistula, and gallstone ileus. Mirizzi syndrome and cholecystocholedochal fistula are two manifestations of the same process that starts with impaction of a gallstone in the gallbladder neck that results in obstruction of the bile duct, causing jaundice. The gallstone may erode into the bile duct, causing cholecystocholedochal fistula. Gallstone ileus refers to small bowel obstruction resulting from the impaction of one or more gallstones after they have migrated ...
Small bowel obstructions can be distinguished into more simple and closed loop obstructions. The latter is a more severe condition which is often complicated by strangulation with vascular impairment, edema and intramural and mesenteric hemorrhage. Consequent arterial insufficiency rapidly leads to ischemia, infarction and necrosis. The radiologist plays a role in the early recognition of the closed loop obstruction and of any sign of strangulation. The role of CT in the diagnosis and workup of patients with suspected intestinal occlusion has been analyzed in the literature with reported 63% sensitivity, 78% specificity and 66% accuracy. CT is also capable of revealing the causes of occlusion in 73-95% of cases. The above CT signs allow to identify closed loop obstruction and also small bowel strangulation, thus supplying a valuable contribution to diagnosis and accurate preoperative evaluation. The conclusion is that CT can accurately demonstrate the presence of ...
Clinical-HINTS (Health Intelligence System) is a horizontally integrated decision support system (DSS) designed to meet the requirements for intelligent real-time clinical information management in critical care medical environments and to lay the foundation for the development of the next generation of intelligent medical instrumentation. The system presented was developed to refine and complement the information yielded by clinical laboratory investigations, thereby benefiting the management of the intensive care unit (ICU) patient. More specifically, Clinical-HINTS was developed to provide computer-based assistance with the acquisition, organisation and display, storage and retrieval, communication and generation of real-time patient-specific clinical information in an ICU. Clinical-HINTS is an object-oriented system developed in C+2 to run under Microsoft Windows as an embryo intelligent agent. Current generic reasoning skills include perception and reactive cognition of patient ...
N-ethyl-N-nitrosourea (ENU) mutagenesis has led to the elucidation of several regulator genes for melanocyte and skin development. Here we characterized a mutant from ENU mutagenesis with similar phenotype as that of Splotch mutant, including exencephaly, spina bifida and abnormal limbs in homozygotes as well as white belly spotting and occasionally loop-tail in heterozygotes. This novel mutant was named as Sp(xG). Through genome-wide linkage analysis in backcross progenies with microsatellite markers, the Sp(xG) was confined to a region between D1MIT415 and D1MIT7 on chromosome 1, where notable Pax3 gene was located. Direct sequencing revealed that Sp(xG) carried a nucleotide A894G missense transition in exon 6 of Pax3 gene that resulted in Asn to Asp substitution at amino acid 269 within the highly-conserved homeodomain (HD) DNA recognition module, which was the first point mutation found in this domain in mice. This N269D mutation impaired the transactivation ...
Autism is a pervasive developmental condition, characterized by impairments in non-verbal communication, social relationships and stereotypical patterns of behavior. A large body of evidence suggests that several aspects of face processing are impaired in autism, including anomalies in gaze processing, memory for facial identity and recognition of facial expressions of emotion. In search of neural markers of anomalous face processing in autism, much interest has focused on a network of brain regions that are implicated in social cognition and face processing. In this review, we will focus on three such regions, namely the STS for its role in processing gaze and facial movements, the FFA in face detection and identification and the amygdala in processing facial expressions of emotion. Much evidence suggests that a better understanding of the normal development of these specialized regions is essential for discovering the neural bases of face processing anomalies in ...
Molecular recognition by calix[6]arene-based receptors bearing three primary alkylamino side chain arms (1) is described. Complexation of ZnII ion provides the dinuclear m-hydroxo complex ${{\\bf 2}{{{\\rm OH}\\hfill \\atop {\\rm G}\\hfill}}}$, XRD characterization of which, together with solution studies, provided evidence of its hosting of neutral polar organic guests G. Treatment of this complex with a carboxylic acid or a sulfonamide (XH) results in the formation of mononuclear species ${{\\bf 3}{{{\\rm X}\\hfill \\atop {\\rm G}\\hfill}}}$, one of which (X = Cl) has been characterized by XRD. A dicationic complex ${{\\bf 3}{{{\\rm RNH}{_{2}}\\hfill \\atop {\\rm G}\\hfill}}}$ is obtained upon treatment of ${{\\bf 2}{{{\\rm OH}\\hfill \\atop {\\rm G}\\hfill}}}$ with a mixture of an alkylamine and a strong acid....
In this paper we present a novel approach to personal photo album management allowing the end user to efficiently access the collection without any need for tedious manual annotation or indexing of the photos. The proposed work exploits methods and technology from the field of computer vision and pattern recognition for face detection, face representation and image annotation to automatically create description of images useful for content-based searching and retrieval. In fact, even if most of the used techniques are not reliable enough to address the general problem of content-based image retrieval, we show that, in a limited domain such as the one of personal photo album, it is possible to obtain results that improve the browsing capabilities of current photo album management systems. In particular, starting from the observation that most personal photos depict a usually small number of people in a relatively small number of different context (indoor, outdoor, ...