Identification Capacity Research Articles

Comparative study of direct injection analysis and liquid chromatography mass spectrometry for identification of chemical constituents in Kudiezi injection by FT-ICR MS

In order to evaluate the performance of direct injection analysis (DIA) and liquid chromatography-mass spectrometry (LC–MS) with ESI-FT-ICR MS on identification of chemical constituents in traditional Chinese medicines (TCMs), Kudiezi injection was selected and analyzed as a sample by both methods. The discovery and identification capacities of two methods were compared, and MS/MS experiments were also carried out to identify chemical constituents. Except 5 components were not detected by DIA FT-ICR MS, other 42 chemical constituents were all tentatively identified by both methods, including phenolic acids, nucleosides, flavonoids and sesquiterpene lactones. It indicated that FT-ICR MS was suitable for identification of chemical constituents in TCMs. And DIA FT-ICR MS had comparable identification capability to LC FT-ICR MS but consumed only 2min of the analysis time. Therefore, DIA FT-ICR MS could be recommended to be a fast identification strategy for TCMs, while LC FT-ICR MS could be necessary when comprehensive screening and identification of chemical constituents in TCMs.

Isolation, identification and diesel-oil biodegradation capacities of indigenous hydrocarbon-degrading strains of Cellulosimicrobium cellulans and Acinetobacter baumannii from tarball at Terengganu beach, Malaysia

In this study, we isolated two indigenous hydrocarbon-degrading bacteria from tarball found in Rhu Sepuluh beach, Terengganu, Malaysia. These bacteria were identified based on their physiological characteristic and 16S rRNA gene sequence analysis, and they showed 99% similarity with Cellulosimicrobium cellulans DSM 43879 and Acinetobacter baumannii ATCC 19606 respectively. Their hydrocarbon-degrading capabilities were tested using diesel-oil as sole carbon source. Results analysed using GC–MS, showed diesel-oil alkanes were degraded an average 64.4% by C. cellulans and 58.1% by A. baumannii with medium optical density reaching 0.967 (C. cellulans) and 1.515 (A. baumannii) in minimal salt media at 32°C for 10days. Individual diesel-oil alkanes were degraded between 10%–95.4% by C. cellulans and 0.2%–95.9% by A. baumannii. Both strains utilized diesel-oil for growth. The study suggests both strains are part of indigenous hydrocarbon-degrading bacteria in tarball with potential for bioremediation of oil-polluted marine environment.

Water spectrum method of NMR logging for identifying fluids

Abstract A new fluid identification method by constructing water spectrum based on NMR logging was put forward after the limitations of existing nuclear magnetic resonance (NMR) fluid identification methods were analyzed. At present, differential spectrum method (DSM) and shifted spectrum method (SSM) of NMR logging are commonly used fluid identification methods. Due to the effects of fluid properties and pore structures, however, their coincidence rates of fluid identification are lower. A new fluid identification method named water spectrum construction method was developed in this study. Based on the existing acquisition mode of NMR logging, T2 (transverse relaxation time) spectrum of long waiting time and long echo spacing in completely watered conditions was constructed from the T2 spectrum which was measured in the mode of long waiting time and short echo spacing. And then, the types of fluids in reservoirs were identified by comparing the measured T2 spectrum with the constructed water spectrum. This new method was applied in Nanpu sag, Bohai Bay Basin for identifying oil layers, oil-water layers, water layers, gas layers and low-resistivity oil layers. It is demonstrated that based on the water spectrum construction method, the coincidence rate of fluid identification caused by pore structures is increased and fluid identification capacity of NMR logging is improved. Water spectrum construction method is prospective for fluid identification and evaluation of complex reservoirs.

The success of stem cell transplantations and the potential post-transplantation complications may be dependent, among other factors, on the capacity of the recipient and the transplanted cells to repair DNA damage

Cell therapy is presently a treatment of choice for many types of haematological and metabolic diseases and is likely to become a therapeutic option for other severe human diseases and conditions in the near future. The success of cell transplantation depends on a variety of factors, including the degree of HLA match between the donor and the recipient, the infectious burden of the graft, cell dosage, age, general state of the recipient and other incompletely characterised features of the donor and the recipient. It is likely that the individual capacity for identification and repair of DNA damage and maintenance of genomic integrity may account, at least in part, for these elusive factors that modulate transplantation outcome in terms of success rate and both long and short term post-transplantation complications. This paper outlines the role of individual repair capacity of the donor and recipient in cell transplantations, summarising the little knowledge already accumulated in the field whilst analysing the known major issues of the use of different types of stem cells. Attention will be given to their capacity to maintain the integrity of their genome, the ability to renew their own population, differentiate into various cell types and in some cases, succumb to carcinogenic transformation. Analysis of the individual capacity may become a useful tool in the assessment of the suitability of a set of freshly collected stem cells or an in vitro propagated cell line for potential clinical applications.

Abstract P2-01-05: Sensitive blood-based monitoring of breast cancer

Abstract Breast cancer is the leading cause of cancer in women worldwide. Although there have been significant advances in the clinical management of breast cancer over the past few decades, women continue to die from this disease. Current methods for detection and monitoring of breast cancer progression, metastasis, and late recurrences lack sensitivity and have not yet been proven to significantly extend overall survival. Current research is focused on identifying novel monitoring methods, with a particular focus on blood-based tumour markers. Monitoring of circulating tumor cells improves detection, but the methods are complex and not applicable to routine practice. A new more sensitive method based on detection of circulating cell free tumor DNA has shown to be more sensitive for women known to have late stage disease. This is a great advance but has not been shown to be a valuable prospective monitoring tool. Tumor derived exosomes (TEX) represent an alternative blood-based method. These are small membrane vesicles that are secreted into the blood and harbor a molecular signature that are directly representative of their 'parent cell'. Emerging evidence suggests that TEX are a veritable 'treasure chest' from which an abundance of stable biomarkers can be isolated and applied to disease monitoring. We hypothesized that: (1) TEX harbor patient-specific DNA mutations similar to those of the patient's tumor; and (2) determining the number and genomic profile of TEX has the capacity for earlier identification of recurrent or progressive disease. To investigate this in a pilot study, TEX were isolated from the plasma of breast cancer patients (n=11) by ultracentrifugation. Western blotting and electron microscopy were performed to validate TEX isolation. DNA was extracted from TEX, patient-matched breast tumor tissue and buccal swabs. Next generation sequencing was performed using the Ion Torrent platform and the Cancer Hotspot Panel v2 (Life Technologies). Despite the small cohort size, there was a statistically significant association (p=0.028) between exosome protein yield and clinical disease stage. TEX protein levels were higher among patients with axillary lymph node involvement (mean 4.8µg per µl of plasma) compared to those with localized disease (mean 3.5µg per µl of plasma). In keeping with other studies the TEX contained low levels of double-stranded DNA that spanned the majority of the genome. Validation of the variants detected in the TEX is currently underway to confirm whether exosomal DNA contains the same genetic variants present in the primary neoplastic tissue. The early detection of breast cancer recurrence and progression represents an unmet challenge that needs to be overcome. This study demonstrates that with continued exploration, TEX may represent a novel approach for disease monitoring that has the potential to improve clinical management and survival. Citation Format: Meehan K, Ruhen O, Myna K, Mirzai B, Erber W. Sensitive blood-based monitoring of breast cancer. [abstract]. In: Proceedings of the Thirty-Eighth Annual CTRC-AACR San Antonio Breast Cancer Symposium: 2015 Dec 8-12; San Antonio, TX. Philadelphia (PA): AACR; Cancer Res 2016;76(4 Suppl):Abstract nr P2-01-05.

СОДЕРЖАТЕЛЬНЫЕ ХАРАКТЕРИСТИКИ ЭМОЦИОНАЛЬНОГО РАЗВИТИЯ ДЕТЕЙ ДОШКОЛЬНОГО ВОЗРАСТА

The paper contains the analysis of the modern condition of the issue of emotional development in foreign and national researches. On the basis of analysis of various research positions, the author defines performance standards that determine content characteristics of the emotional development of a preschool child. The research shows age opportunities of the children of different pre-school periods, which constitute a meaningful basis for the key emotional growth (capacity for differentiation and identification of emotional states, empathic ability, capability for emotional anticipation). Analysis of the existing relationships between separate structural components of emotional growth of a preschool child leads to the understanding of the fact that the following criteria for their integrated assessment can be used: perception and understanding of emotional states according to expression or the context of the emotional situation, development of emotional decentration, and emotional anticipation. The latter leads us to the assumption that all the above-mentioned criteria can be considered from the point of evaluation of the same parameters. Thus, perception, understanding, identification of emotional states is actually regarded as criteria for assessing the emotional and cognitive components of empathy structure. At the same time, the increase of qualitative and quantitative indicators of perception and understanding of the emotional states is associated with the expansion of subject content requirements and development of emotional decentration. Social mediation of emotional states, pro-social motivation of behavior can be simultaneously considered as indicators of empathy development (as an important social gain of a preschool child) and capability for emotional anticipation. The results of theoretical generalizations are presented in the form of a diagram which graphically represents the age-related changes of the emotional development content of children at different pre-school stages.

Multi-swarm fruit fly optimization algorithm for structural damage identification

In this paper, the Multi-Swarm Fruit Fly Optimization Algorithm (MFOA) is presented for structural damage identification using the first several natural frequencies and mode shapes. We assume damage only leads to the decrease of element stiffness. The differences on natural frequencies and mode shapes of damaged and intact state of a structure are used to establish the objective function, which transforms a damage identification problem into an optimization problem. The effectiveness and accuracy of MFOA are demonstrated by three different structures. Numerical results show that the MFOA has a better capacity for structural damage identification than the original Fruit Fly Optimization Algorithm (FOA) does.

The Sinister Menagerie: Animality and Antipathy in Wuthering Heights

Emily Brontë’s Wuthering Heights avoids the devices which have traditionally been seen as functioning in novels to invoke sympathy, even basic character identification. Wuthering Heights is an antipathetic novel in this sense: Emily Brontë refuses to awaken the capacity for sympathetic identification in her readers. Moreover, her novel destabilizes the idea of a common ‘human nature’ which sets mankind apart from animal nature. Her animalizing language undermines the singularity of ‘the Human’ as a unitary concept. There is in Wuthering Heights such variety within human nature that there is no fundamental common essence to human beings, no ‘human nature’ at all, in which sympathy as traditionally understood can take root.

A new rotating machinery fault diagnosis method based on improved local mean decomposition

A demodulation technique based on improved local mean decomposition (LMD) is investigated in this paper. LMD heavily depends on the local mean and envelope estimate functions in the sifting process. It is well known that the moving average (MA) approach exists in many problems (such as step size selection, inaccurate results and time-consuming). Aiming at the drawbacks of MA in the smoothing process, this paper proposes a new self-adaptive analysis algorithm called optimized LMD (OLMD). In OLMD method, an alternative approach called rational Hermite interpolation is proposed to calculate local mean and envelope estimate functions using the upper and lower envelopes of a signal. Meanwhile, a reasonable bandwidth criterion is introduced to select the optimum product function (OPF) from pre-OPFs derived from rational Hermite interpolation with different shape controlling parameters in each rank. Subsequently, the orthogonality criterion (OC) is taken as the product function (PF) iterative stopping condition. The effectiveness of OLMD method is validated by the numerical simulations and applications to gearbox and roller bearing fault diagnosis. Results demonstrate that OLMD method has better fault identification capacity, which is effective in rotating machinery fault diagnosis.

Identification and mycotoxigenic capacity of fungi associated with pre- and postharvest fruit rots of pomegranates in Greece and Cyprus

Pre- and postharvest fruit rots of fungal origin are an important burden for the pomegranate industry worldwide, affecting the produce both quantitatively and qualitatively. During 2013, local orchards were surveyed and 280 fungal isolates from Greece (GR) and Cyprus (CY) were collected from pomegranates exhibiting preharvest rot symptoms, and additional 153 isolates were collected postharvest from cold-stored fruit in GR. Molecular identification revealed that preharvest pomegranate fruit rots were caused predominately by species of the genera Aspergillus (Aspergillus niger and Aspergillus tubingensis) and Alternaria (Alternaria alternata, Alternaria tenuissima, and Alternaria arborescens). By contrast, postharvest fruit rots were caused mainly by Botrytis spp. and to a lesser extent by isolates of Pilidiella granati and Alternaria spp. Considering that a significant quota of the fungal species found in association with pomegranate fruit rots are known for their mycotoxigenic capacity in other crop systems, their mycotoxin potential was examined. Alternariol (AOH), alternariol monomethyl-ether (AME) and tentoxin (TEN) production was estimated among Alternaria isolates, whereas ochratoxin A (OTA) and fumonisin B2 (FB2) production was assessed within the black aspergilli identified. Overall in both countries, 89% of the Alternaria isolates produced AOH and AME in vitro, while TEN was produced only by 43.9%. In vivo production of AOH and AME was restricted to 54.2% and 31.6% of the GR and CY isolates, respectively, while none of the isolates produced TEN in vivo. Among black aspergilli 21.7% of the GR and 17.8% of the CY isolates produced OTA in vitro, while in vivo OTA was detected in 8.8% of the isolates from both countries. FB2 was present in vitro in 42.0% of the GR and 22.2% of the CY isolates, while in vivo the production was limited to 27.5% and 4.5% of the GR and the CY isolates, respectively. Our data imply that mycotoxigenic Alternaria and Aspergillus species not only constitute a significant subset of the fungal population associated with pomegranate fruit rots responsible for fruit deterioration, but also pose a potential health risk factor for consumers of pomegranate-based products.

DNA barcoding implicates 23 species and four orders as potential pollinators of Chinese knotweed (Persicaria chinensis) in Peninsular Malaysia.

Chinese knotweed (Persicaria chinensis) is of ecological and economic importance as a high-risk invasive species and a traditional medicinal herb. However, the insects associated with P. chinensis pollination have received scant attention. As a widespread invasive plant we would expect P. chinensis to be associated with a diverse group of insect pollinators, but lack of taxonomic identification capacity is an impediment to confirm this expectation. In the present study we aimed to elucidate the insect pollinators of P. chinensis in peninsular Malaysia using DNA barcoding. Forty flower visitors, representing the range of morphological diversity observed, were captured at flowers at Ulu Kali, Pahang, Malaysia. Using Automated Barcode Gap Discovery, 17 morphospecies were assigned to 23 species representing at least ten families and four orders. Using the DNA barcode library (BOLD) 30% of the species could be assigned a species name, and 70% could be assigned a genus name. The insects visiting P. chinensis were broadly similar to those previously reported as visiting Persicaria japonica, including honey bees (Apis), droneflies (Eristalis), blowflies (Lucilia) and potter wasps (Eumedes), but also included thrips and ants.

Rapid Screening and Structural Characterization of Antioxidants from the Extract of Selaginella doederleinii Hieron with DPPH-UPLC-Q-TOF/MS Method.

2,2-Diphenyl-1-picrylhydrazyl-ultra-high performance liquid chromatography-Q-time-of-flight mass spectrometry (DPPH-UPLC-Q-TOF/MS), as a rapid and efficient means, now was used for the first time to screen antioxidants from Selaginella doederleinii. The nine biflavone compounds were screened as potential antioxidants. The biflavones were structurally identified and divided into the three types, that is, amentoflavone-type, robustaflavone-type, and hinokiflavone-type biflavonoids. Among the compounds bilobetin (3) and putraflavone (8) were found from Selaginella doederleinii for the first time and others including amentoflavone (1), robustaflavone (2), 4′-methoxy robustaflavone (4), podocarpusflavone A (5), hinokiflavone (6), ginkgetin (7), and heveaflavone (9) were identified previously in the plant. Moreover, nine biflavones possessed a good antioxidant activity via their DPPH free radical scavenging. It demonstrates that DPPH-UPLC-Q-TOF/MS exhibits strong capacity in separation and identification for small molecule. The method is suitable for rapid screening of antioxidants without the need for complicated systems and additional instruments.

Application of EEMD Sample Entropy and Grey Relation Degree in Gearbox Fault Identification

In this paper, a new gearbox fault identification method was proposed based on mathematical morphological filter, ensemble empirical mode decomposition (EEMD), sample entropy and grey relation degree. Firstly, the sampled data was de-noised by mathematical morphological filter. Secondly, the de-noised signal was decomposed into a finite number of stationary intrinsic mode functions (IMFs) by EEMD method. Thirdly, some IMFs containing the most dominant fault information were calculated by the sample entropy for four gearbox conditions. Finally, since the grey relation degree has good classified capacity for small sample pattern identification, the grey relation degree between the symptom set and standard fault set was calculated as the identification evidence for fault diagnosis. The practical results show that this method is quite effective in gearbox fault diagnosis. It’s suitable for on-line monitoring and fault diagnosis of gearbox.

Matrix-assisted laser desorption ionization time of flight mass spectrometry and diagnostic testing for prosthetic joint infection in the clinical microbiology laboratory

Identification of pathogen(s) associated with prosthetic joint infection (PJI) is critical for patient management. Historically, many laboratories have not routinely identified organisms such as coagulase-negative staphylococci to the species level. The advent of matrix-assisted laser desorption ionization time of flight mass spectrometry (MALDI-TOF MS) has enhanced clinical laboratory capacity for accurate species-level identification. The aim of this study was to describe the species-level identification of microorganisms isolated from periprosthetic tissue and fluid specimens using MALDI-TOF MS alongside other rapid identification tests in a clinical microbiology laboratory. Results of rapid identification of bacteria isolated from periprosthetic joint fluid and/or tissue specimens were correlated with clinical findings at Mayo Clinic, Rochester, Minnesota, between May 2012 and May 2013. There were 178 PJI and 82 aseptic failure (AF) cases analyzed, yielding 770 organisms (median, 3/subject; range, 1–19/subject). MALDI-TOF MS was employed for the identification of 455 organisms (59%) in 197 subjects (123 PJIs and 74 AFs), with 89% identified to the species level using this technique. Gram-positive bacteria accounted for 68% and 93% of isolates in PJI and AF, respectively. However, the profile of species associated with infection compared to specimen contamination differed. Staphylococcus aureus and Staphylococcus caprae were always associated with infection, Staphylococcus epidermidis and Staphylococcus lugdunensis were equally likely to be a pathogen or a contaminant, whereas the other coagulase-negative staphylococci were more frequently contaminants. Most streptococcal and Corynebacterium isolates were pathogens. The likelihood that an organism was a pathogen or contaminant differed with the prosthetic joint location, particularly in the case of Propionibacterium acnes. MALDI-TOF MS is a valuable tool for the identification of bacteria isolated from patients with prosthetic joints, providing species-level identification that may inform culture interpretation of pathogens versus contaminants.

Metabolites of dietary quercetin: Profile, isolation, identification, and antioxidant capacity

The study of the profile, isolation and antioxidant capacity of pig quercetin metabolites after onion dry skin intake was performed. Onion dry skin contain very high content of quercetin, which occurred mainly in aglycone form (87%). Urine was collected from seventeen pigs before and within 2-6 hours after intake of onion dry skin providing quercetin. Quercetin metabolites profile was analyzed by HPLC-MS/MS. Upon quercetin intake, quercetin was absorbed and occurred in pig urine in methylated, glucuronided, sulfated and combined derivatives. Among 12 quercetin metabolites identified, quercetin monoglucuronides were predominant. Quercetin metabolites were isolated and purified by Amberlite XAD-16 column chromatography and on HPLC C18 semi-preparative column. Quercetin metabolites mixture showed higher radical-scavenging activities compared to native quercetin derivatives of onion skin. Results indicated that the profile of quercetin metabolites in pig reflects that in a humans. Moreover, quercetin metabolites present in systemic circulation after quercetin intake still acted as antioxidants.

Model for quantitative tip-enhanced spectroscopy and the extraction of nanoscale-resolved optical constants

Near-field infrared spectroscopy by elastic scattering of light from a probe tip resolves optical contrasts in materials at dramatically sub-wavelength scales across a broad energy range, with the demonstrated capacity for chemical identification at the nanoscale. However, current models of probe-sample near-field interactions still cannot provide a sufficiently quantitatively interpretation of measured near-field contrasts, especially in the case of materials supporting strong surface phonons. We present a model of near-field spectroscopy derived from basic principles and verified by finite-element simulations, demonstrating superb predictive agreement both with tunable quantum cascade laser near-field spectroscopy of SiO$_2$ thin films and with newly presented nanoscale Fourier transform infrared (nanoFTIR) spectroscopy of crystalline SiC. We discuss the role of probe geometry, field retardation, and surface mode dispersion in shaping the measured near-field response. This treatment enables a route to quantitatively determine nano-resolved optical constants, as we demonstrate by inverting newly presented nanoFTIR spectra of an SiO$_2$ thin film into the frequency dependent dielectric function of its mid-infrared optical phonon. Our formalism further enables tip-enhanced spectroscopy as a potent diagnostic tool for quantitative nano-scale spectroscopy.

ChemInform Abstract: Multidimensional Gas Chromatography Beyond Simple Volatiles Separation

AbstractReview: 226 refs.

Building space–use analysis system — A multi location/multi sensor platform

Abstract Occupancy and movement data is key information in all phases of the life cycle of built environments, because it has direct repercussions on multiple aspects of their performance. Knowledge on how built spaces are really used remains scarce, despite the technological advances currently available. This paper proposes a system that combines the capacities of computer vision based tracking and the identification capacities of radio frequency-based sensing (RFID) to aid the analytical procedures of the study of the functional condition of architectural artifacts. This will enable us to gain a better understanding of the connections established within the spatial conditions. The process allows one to: a) represent, describe and quantify occupancy/co-presence patterns and movement/navigation patterns; b) characterize the types of users (e.g., professor, student, staff) associated to them; and c) establish correlations between the occupancy/movement patterns and the configurational properties of space.

Validation and application of an UPLC–MS/MS method for the quantification of synthetic cannabinoids in urine samples and analysis of seized materials from the Portuguese market

An UPLC–MS/MS method using ESI+ionization and MRM was developed and fully validated according to international guidelines for the qualitative and quantitative analysis of nine synthetic cannabinoids and/or their metabolites in urine samples (1mL). Prior to extraction the samples were subjected to an enzymatic hydrolysis using β-glucuronidase followed by a SPE procedure using Oasis® HLB 3cc (60mg) columns. The chromatographic separation was performed with an Acquity UPLC® HSS T3 (50mm×2.1mm i.d., 1.8μm) reversed-phase column using a gradient with methanol–ammonium formate 2mM (0.1% formic acid) and with a run time of 9.5min. The method was validated in terms of selectivity, capacity of identification, limits of detection (0.01–0.5ng/mL) and quantification (0.05–0.5ng/mL), recovery (58–105%), carryover, matrix effect, linearity (0.05–50ng/mL), intra-assay precision, inter-assay accuracy and precision (CV<20%). The method was applied to 80 authentic samples, five of them (6.2%) were confirmed or suspected to be positive for the metabolites JWH-018 N-hydroxypentyl and JWH-018 N-pentanoic acid of JWH-018 and for the metabolite JWH-122 N-(5-hydroxypentyl) of JWH-122, and three of them in association with THC and/or THCCOOH (substances included in the method, together with the 11-OH-THC). Additionally, 17 spice products were analyzed, for which were confirmed the presence of the following substances: AM-2201, JWH-018, JWH-022 JWH-073, JWH-122, JWH-203, JWH-210, JWH-250, HU-210 and RCS-4, according to the comparison with authentic reference material and published data. The analytical method developed allowed the analysis of synthetic cannabinoids and the notification of the first cases in Portugal.

RAPID DIAGNOSTIC OF FISH FLAVOBACTERIOSIS USING POLYMERASE CHAIN REACTION

The method of rapid identification of fish flavobacteriosis using polymerase chain reaction (PCR) was developed. Specifity and efficiency of the selected oligonucleotide primers was confirmed. Nine Flavobacterium strains were isolated from clinically healthy and infected with Flavobacteriosis rainbow trout Onchorhynchus mykiss. Flavobacterium columnare strain was identified using the developed rapid diagnosis method. Phylogenetic analysis had indicated the kinship of isolated strains to Flavobacterium genera. Neither F. psychrophylum or F. branchiophilum strains were identified in the isolated samples. The species identification capacity using the 16S rRNA gene restriction analysis was shown. The developed PCR method can be used for rapid identification of different fish flavobacteriosis forms in fish farms in Ukraine.