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1.
Phys Chem Chem Phys ; 19(46): 31418-31428, 2017 Nov 29.
Article in English | MEDLINE | ID: mdl-29155910

ABSTRACT

Plasma fluorination of graphene is studied using a combination of spectroscopy and microscopy techniques, giving insight into the yield and fluorination mechanism for functionalization of supported graphene with both CF4 and SF6 gas precursors. Ion acceleration during fluorination is used to probe the effect on grafting functionalities. Adatom clustering, which occurs with CF4 plasma treatment, is suppressed when higher kinetic energy is supplied to the ions. During SF6 plasma functionalization, the sulfur atoms tend to bond to bare copper areas instead of affecting the graphene chemistry, except when the kinetic energy of the ions is restricted. Using scanning photoelectron microscopy, with a 100 nm spatial resolution, the chemical bonding environment is evaluated in the fluorinated carbon network at selected regions and the functionalization homogeneity is controlled in individual graphene flakes.

2.
J Chem Phys ; 147(24): 244704, 2017 Dec 28.
Article in English | MEDLINE | ID: mdl-29289152

ABSTRACT

The interaction between 2,2'-bithiophene-5-carboxylic acid (PT2) sublimed under ultra-high vacuum conditions and anatase (101) and rutile (110) TiO2 single crystal surfaces is investigated by studying the electronic spectral density near the Fermi level with synchrotron-based spectroscopy. The experimental results are compared to density functional theory calculations of the isolated PT2 molecule and of the molecule adsorbed on an anatase TiO2 (101) cluster. The relative concentrations of Ti, C, and S atoms indicate that the adsorbed molecule remains intact upon deposition, which is typical of a Stranski-Krastanov growth mode. The analysis of the O1s spectrum suggests a predominant bidentate geometry of the adsorption with both rutile and anatase surfaces, as supported by previous theoretical simulations. It is also theoretically and experimentally demonstrated that the PT2 adsorption causes the appearance of new electronic states in the gap near the TiO2 valence band. A pinning effect of the LUMO level of the dye is also theoretically predicted.

3.
Faraday Discuss ; 173: 215-32, 2014.
Article in English | MEDLINE | ID: mdl-25468305

ABSTRACT

We explore the behaviour of nitrogen doping in carbon nanomaterials, notably graphene, nanotubes, and carbon thin films. This is initially via a brief review of the literature, followed by a series of atomistic density functional calculations. We show that at low concentrations, substitutional nitrogen doping in the sp(2)-C graphenic basal plane is favoured, however once the nitrogen concentration reaches a critical threshold there is a transition towards the formation of the more thermodynamically-favoured nitrogen terminated 'zigzag' type edges. These can occur either via formation of finite patches (polycyclic aromatic azacarbons), strips of sp(2) carbon with zigzag nitrogen edges, or internal nitrogen-terminated hole edges within graphenic planes. This transition to edge formation is especially favoured when the nitrogen can be partially functionalised with, e.g. hydrogen. By comparison with available literature results, notably from electron energy loss spectroscopy and X-ray spectroscopy, the current results suggest that much of the nitrogen believed to be incorporated into carbon nanoobjects is instead likely to be present terminating the edges of carbonaceous impurities attached to nanoobject's surface. By comparison to nitrogen-doped tetrahedrally amorphous carbon, we suggest that this transition at around 10-20% nitrogen concentration and above towards sp(2) coordination via internal nitrogen-terminated edge formation may be a general property of nitrogen-doped carbon materials.

4.
Diagn Microbiol Infect Dis ; 24(1): 15-7, 1996 Jan.
Article in English | MEDLINE | ID: mdl-8988758

ABSTRACT

The ability of the Roche AMPLICOR Mycobacterium tuberculosis (MTB) test to detect M. tuberculosis in specimens other than respiratory secretions was evaluated. A total of 249 specimens from 219 patients were tested. Of these, 12 specimens grew isolates of the M. tuberculosis complex and four grew isolates of the M. avium complex. The AMPLICOR MTB test was positive for 10 of the 12 specimens which grew M. tuberculosis and for three specimens which were culture negative. Two of the latter specimens were from patients with a clinical diagnosis of tuberculosis and with multiple sputum specimens which grew M. tuberculosis. Four specimens grew M. avium complex isolates, and all yielded negative AMPLICOR MTB test results. The sensitivity, specificity, and positive and negative predictive values for the AMPLICOR MTB test were 85.7%, 99.5%, 92.3%, and 99.1%, respectively. Our data indicate that the AMPLICOR MTB test will permit the rapid detection of M. tuberculosis in specimens other than respiratory secretions.


Subject(s)
Body Fluids/microbiology , Mycobacterium tuberculosis/isolation & purification , Polymerase Chain Reaction/methods , Tuberculosis/microbiology , Biopsy , Humans , Mycobacterium tuberculosis/genetics , Respiratory System/metabolism , Sensitivity and Specificity , Tuberculosis/diagnosis
5.
J Clin Microbiol ; 33(7): 1832-4, 1995 Jul.
Article in English | MEDLINE | ID: mdl-7665654

ABSTRACT

A rapid PCR-based test for the diagnosis of pulmonary tuberculosis, the Roche AMPLICOR Mycobacterium tuberculosis test (AMPLICOR MTB), was evaluated. Results from AMPLICOR MTB were compared with culture results and the final clinical diagnosis for each patient. A total of 985 specimens from 372 patients were tested. When AMPLICOR MTB results were compared with resolved results, i.e., a specimen grew M. tuberculosis or was obtained from a patient with a clinical diagnosis of tuberculosis, the sensitivity, specificity, positive predictive value, and negative predictive value for the AMPLICOR MTB test were 66.7, 99.6, 91.7, and 97.7%, respectively. These results were comparable to those obtained from culture. Test results were available approximately 6.5 h after specimen receipt in the laboratory. Our data demonstrate that AMPLICOR MTB will provide rapid, valuable information for the diagnosis and control of tuberculosis.


Subject(s)
Mycobacterium tuberculosis/genetics , Mycobacterium tuberculosis/isolation & purification , Polymerase Chain Reaction/methods , Tuberculosis, Pulmonary/diagnosis , Bacteriological Techniques/statistics & numerical data , Diagnostic Errors , Evaluation Studies as Topic , Humans , Polymerase Chain Reaction/statistics & numerical data , Time Factors , Tuberculosis, Pulmonary/microbiology
6.
J Clin Microbiol ; 29(8): 1719-22, 1991 Aug.
Article in English | MEDLINE | ID: mdl-1761694

ABSTRACT

A study to delineate the feasibility of a biphasic-culture approach for detection and isolation of mycobacteria from clinical specimens except blood was conducted in four medical centers. The biphasic system (Septi-Chek AFB, Roche Diagnostic Systems, Nutley, N.J.) was compared with conventional mycobacterial isolation media and the BACTEC system. Septi-Chek AFB showed the highest degree of mycobacterial recovery. In addition, Septi-Chek AFB consistently shortened the time required for recovery of mycobacteria from clinical specimens and supported the growth of small inoculum numbers of stock cultures of 14 mycobacterial species. The study indicates the feasibility and potential advantages of the biphasic approach for detection and isolation of mycobacteria.


Subject(s)
Bacteriological Techniques , Mycobacterium Infections/diagnosis , Mycobacterium/isolation & purification , Cells, Cultured , Feasibility Studies , Serology/methods , Specimen Handling
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