Ignitable Liquid Classification and Identification Using the Summed-Ion Mass Spectrum

Abstract

The mass spectra calculated by summing the intensities of each nominal mass over all chromatographic times, the summed ion spectra, were calculated for a set of 440 commercially available ignitable liquids that had been analyzed by gas chromatography–mass spectrometry. Each ignitable liquid is generally comprised of a mixture of chemicals, and the mixtures may be very complex in some cases, e.g., petroleum distillates, gasoline, etc. The summed ion spectra were evaluated to determine if they contained sufficient information content to allow their use for rapid and accurate identification of the ignitable liquid in a database or library. The summed ion nominal mass spectra were encoded in one bit per channel at 1% transition intensity and a set of 96,580 unique pairwise comparisons were made between spectra, resulting in an average of approximately 50 differing channels per comparison. A subset of 62 summed ion spectra were further compared by a similarity metric and found by cluster analysis to group closely along the ASTM ignitable liquid classification scheme. Receiver operator characteristic analysis of the use of the similarity index in combination with the summed ion spectra was shown to provide 99% probability of correct liquid identification and 95% probability of correct ASTM classification by primary and sub-class. Interlaboratory tests found 95% probability of correct liquid identification and 85% probability of correct ASTM classification at the primary class level. These results demonstrate the use of the summed ion spectrum as a first step in the rapid identification of an ignitable liquid by database or library searching.     

Identification of nitrate sources in Taihu Lake and its major inflow rivers in China, using δ(15)N-NO(3)(-) and δ(18)O-NO(3)(-) values

In the present study, δ(15)N and δ(18)O-NO(3)(-) values, as well as concentrations of some major ion tracers were determined in seasonal water samples from Taihu Lake and major watersheds to investigate the temporal and spatial variations of nitrate sources and assess the underlying nitrogen (N) biogeochemistry process. The results lead to the conclusion that the nitrate concentrations in Taihu Lake are lower in summer than that in winter due to the dilution effect of wet deposition. In winter, sewage and manure were the primary nitrate sources in major inflow rivers and North Taihu Lake (NTL), while nitrate sources in East Taihu Lake (ETL) probably derived from soil organic N. In summer, atmospheric deposition and sewage/manure inputs appear to play an important role in controlling the distribution of nitrates in the whole lake. The δ(18)O-NO(3)(-) values suggest that the nitrate produced from microbial nitrification is another major nitrate source during both winter and summer months. The variations in isotopic values in nitrate suggest denitrification enriched the heavier isotopes of nitrate in NTL in winter and in ETL in summer.     

Four degree of freedom liquid dispenser for direct write capillary self-assembly with sub-nanoliter precision

Capillary forces provide a ubiquitous means of organizing micro- and nanoscale structures on substrates. In order to investigate the mechanism of capillary self-assembly and to fabricate complex ordered structures, precise control of the meniscus shape is needed. We present a precision instrument that enables deposition of liquid droplets spanning from 2 nl to 300 μl, in concert with mechanical manipulation of the liquid-substrate interface with four degrees of freedom. The substrate has sub-100 nm positioning resolution in three axes of translation, and its temperature is controlled using thermoelectric modules. The capillary tip can rotate about the vertical axis while simultaneously dispensing liquid onto the substrate. Liquid is displaced using a custom bidirectional diaphragm pump, in which an elastic membrane is hydraulically actuated by a stainless steel syringe. The syringe is driven by a piezoelectric actuator, enabling nanoliter volume and rate control. A quantitative model of the liquid dispenser is verified experimentally, and suggests that compressibility in the hydraulic line deamplifies the syringe stroke, enabling sub-nanoliter resolution control of liquid displacement at the capillary tip. We use this system to contact-print water and oil droplets by mechanical manipulation of a liquid bridge between the capillary and the substrate. Finally, we study the effect of droplet volume and substrate temperature on the evaporative self-assembly of monodisperse polymer microspheres from sessile droplets, and demonstrate the formation of 3D chiral assemblies of micro-rods by rotation of the capillary tip during evaporative assembly.     

High temperature Seebeck coefficient and resistance measurement system for thermoelectric materials in the thin disk geometry

A versatile apparatus to measure the cross-plane Seebeck coefficient and the resistivity of bulk samples shaped as disks or thin plates, over a temperature range of 300 K-620 K with possible extension to higher temperatures, is presented. It is constructed from readily available equipment and instrumentation with parts that are easily manufactured. The Seebeck coefficient is measured over an average region of the sample under steady-state conditions. The sample resistance is measured using a four-point alternating current method and scaled to room temperature measurements with known geometry to calculate resistivity. A variety of sample shapes are supported. Most importantly, the support of the thin disk geometry allows for the very same samples to be used in a laser flash instrument. The design allows for rough vacuum, high vacuum, or purging with inert gases in the sample chamber. Measurements on thermoelectric ZnSb and a Ni reference material are presented.     

Finite-element analysis for magnetic resonance image artifact evaluation

The static magnetic field of a magnetic resonance imaging scanner can be distorted by the presence of materials, perturbing the spatial encoding process in magnetic resonance imaging and often resulting in image artifacts. The relationship between the image artifact size and magnetic susceptibility of the material specimen is of interest to engineers for the design of devices that are to be compatible with the imaging volume of the scanner. In this study, a finite-element method was used to simulate the distorted magnetic field of samples with different susceptibilities. With the knowledge of the external- and self- magnetic field interactions, a Lorentz correction was applied to compute the magnetic field deviation. The simulated results were then validated by the corresponding experimental magnetic resonance images.     

Overcoming challenges in the study of nitrided microalloyed steels using atom probe

Nitrided steels are widely used in the engineering field due to their superior hardness and other attractive properties. Atom probe tomography (APT) was employed to study two Nb-microalloyed CASTRIP steels with different N contents. A major challenge of using APT to study this group of materials is the presence of tails after Fe peaks in the mass spectra, which overestimates the composition for alloying elements such as Nb and Cu in the steels. One important factor that contributes to the tails is believed to be delayed field evaporation from Fe²⁺. This artefact of the mass spectrum was observed to be the most severe when voltage pulsing was used. The application of laser pulses with energy ranging from 0.2 to 1.2 nJ successfully reduced the tails and lead to better compositional measurement accuracy. Spatial resolution in the z-direction (along the tip direction) was observed to be less affected by changing laser energy but deteriorates in x-y direction with increasing laser energy. This investigation suggests that pulsed-laser atom probe with ∼0.4 nJ laser energy can be used to study this group of materials with improved mass resolution while still maintaining high spatial resolution.     

Value and limits of μ-CT for nondemineralized bone tissue processing

An experimental approach was performed on 20 giant rabbits to establish the possibilities and limitations of μ-CT for routine processing of nondemineralized bone tissue. Hydroxyapatite (HA) or β-tricalciumphosphate (β-TCP) bead implants or a melange of both, microchambered and solid, were implanted into a standardized and precise defect in the patellar groove. The bone-healing phase was chosen for the histology considering 1 or 2 days, and 2, 3, and 6 weeks. Normal X-ray and μ-CT were applied on all specimens; five specimens in the 6-week stage were additionally processed according to the full range of conventional nondemineralized bone processing methods. μ-CT increased the possibilities of nondemineralized histology with respect to bone morphometry and a complete sequence of sections, thus providing a complete analysis of the bone response. μ-CT was limited in differentiating bone quality, cell analyses, and mineralization stages. The investigation based on normal X-rays is limited to defining integration and excluding the fibrous and bony encapsulation of loose implants. μ-CT allows a 3D evaluation of newly formed bone which is clearly marked against the ceramic implant. It does not allow, however, for the differentiation between woven and lamellar bone, the presentation of the canalicular lacunar system, or on the cell level, revealing canaliculi or details of the mineralization process which can be documented by high-resolution microradiography. Titer dynamics of bone formation remains the domain of polychromatic sequential labeling. The complete sequence of μ-CT slices enhances the possibilities for routine histology, tremendously allowing to the focus on detail histology to topographically well-defined cuts, thus providing more precise conclusions which take into consideration the whole implant.     

Information systems for enhancing social experience in a conference context: A sensor based approach

We combine Auto Identification and Web technologies in an extensible on-site event support system for enhancing experience of conference organizers as well as participants. Our system enables users to authenticate themselves using RFID badges and to access interactive, Web-based services via a touchscreen PC. The developed services aim at supporting social interactions of participants, and thus validate the promising usage directions of the combination of offline social networks and the online social Web. The main hypothesis of our work is that: ??A sensor based information system can truly enhance social conference experience.?? Technically, we have investigated employment of Web 2.0 technologies in social, sensor and mobile technologies enabled systems at conferences and events. This article gives an overview of the overall system and its evaluation via a user survey and usage log data collected during the Extended Semantic Web Conference (ESWC) 2010 and similar international conferences, altogether with several hundred participants.     

An extension of Kedlaya’s algorithm for hyperelliptic curves

In this paper we describe a generalisation and adaptation of Kedlaya’s algorithm for computing the zeta-function of a hyperelliptic curve over a finite field of odd characteristic that the author used for the implementation of the algorithm in the Magma library. We generalise the algorithm to the case of an even degree model. We also analyse the adaptation of working with the xⁱdx/y³ rather than the xⁱdx/y differential basis. This basis has the computational advantage of always leading to an integral transformation matrix whereas the latter fails to in small genus cases. There are some theoretical subtleties that arise in the even degree case where the two differential bases actually lead to different redundant eigenvalues that must be discarded.     

Dynamical synapses enhance neural information processing: gracefulness, accuracy, and mobility

Experimental data have revealed that neuronal connection efficacy exhibits two forms of short-term plasticity: short-term depression (STD) and short-term facilitation (STF). They have time constants residing between fast neural signaling and rapid learning and may serve as substrates for neural systems manipulating temporal information on relevant timescales. This study investigates the impact of STD and STF on the dynamics of continuous attractor neural networks and their potential roles in neural information processing. We find that STD endows the network with slow-decaying plateau behaviors: the network that is initially being stimulated to an active state decays to a silent state very slowly on the timescale of STD rather than on that of neuralsignaling. This provides a mechanism for neural systems to hold sensory memory easily and shut off persistent activities gracefully. With STF, we find that the network can hold a memory trace of external inputs in the facilitated neuronal interactions, which provides a way to stabilize the network response to noisy inputs, leading to improved accuracy in population decoding. Furthermore, we find that STD increases the mobility of the network states. The increased mobility enhances the tracking performance of the network in response to time-varying stimuli, leading to anticipative neural responses. In general, we find that STD and STP tend to have opposite effects on network dynamics and complementary computational advantages, suggesting that the brain may employ a strategy of weighting them differentially depending on the computational purpose.