PATTERN RECOGNITION INTEGRATED SENSING METHODOLOGIES (PRISMS) IN PHARMACEUTICAL PROCESS VALIDATION, REMOTE SENSING AND ASTROBIOLOGY

Modern analytical instrumentation is capable of creating enormous and complex volumes of data. Analysis of large data volumes are complicated by lengthy analysis time and high computational demand. Incorporating real-time analysis methods that are computationally efficient are desirable for modern analytical methods to be fully utilized. The use of modern instrumentation in on-line pharmaceutical process validation, remote sensing, and astrobiology applications requires real-time analysis methods that are computationally efficient. Integrated sensing and processing (ISP) is a method for minimizing the data burden and sensing time of a system. ISP is accomplished through implementation of chemometric calculations in the physics of the spectroscopic sensor itself. In ISP, the measurements collected at the detector are weighted to directly correlate to the sample properties of interest. This method is especially useful for large and complex data sets. In this research, ISP is applied to acoustic resonance spectroscopy, near-infrared hyperspectral imaging and a novel solid state spectral imager. In each application ISP produced a clear advantage over the traditional sensing method. The limitations of ISP must be addressed before it can become widely used. ISP is essentially a pattern recognition algorithm. Problems arise in pattern recognition when the pattern-recognition algorithm encounters a sample unlike any in the original calibration set. This is termed the false sample problem. To address the false sample problem the Bootstrap Error-Adjusted Single-Sample Technique (BEST, a nonparametric classification technique) was investigated. The BEST-ISP method utilizes a hashtable of normalized BEST points along an asymmetric probability density contour to estimate the BEST multidimensional standard deviation of a sample. The on-line application of the BEST method requires significantly less computation than the full algorithm allowing it to be utilized in real time as sample data is obtained. This research tests the hypothesis that a BEST-ISP metric can be used to detect false samples with sensitivity \u3e 90% and specificity \u3e 90% on categorical data

"Like stars are moving in the sky" - life of an infrared photographic studio

Today, users can choose from many options according to their goals when they turn to the toolbox of vibrational spectroscopy when answering their questions. This diversity is reflected in the structure, sample handling, and measurement technology of the devices. It is enough to think of handheld devices that enable on-site measurements in incoming raw material warehouses, or bench-top devices for quality control laboratories, or in-/on-line devices for production technologies. In addition, chemical imaging (CI) techniques have also gained ground. Mathematical, statistical, and chemometric methods are breathing life into the army of infrared spectra provided by the hardware, which are capable of extracting the information inherent in large data sets (big data). In the article, the development and embedding of infrared techniques from academic research to agricultural and industrial applications can be traced by highlighting examples of the last 25 years – but not only through spectroscopic tools, but also through people

Criteria for the design of tissue-mimicking phantoms for the standardization of biophotonic instrumentation

A lack of accepted standards and standardized phantoms suitable for the technical validation of biophotonic instrumentation hinders the reliability and reproducibility of its experimental outputs. In this Perspective, we discuss general criteria for the design of tissue-mimicking biophotonic phantoms, and use these criteria and state-of-the-art developments to critically review the literature on phantom materials and on the fabrication of phantoms. By focusing on representative examples of standardization in diffuse optical imaging and spectroscopy, fluorescence-guided surgery and photoacoustic imaging, we identify unmet needs in the development of phantoms and a set of criteria (leveraging characterization, collaboration, communication and commitment) for the standardization of biophotonic instrumentation

NASA SBIR abstracts of 1991 phase 1 projects

The objectives of 301 projects placed under contract by the Small Business Innovation Research (SBIR) program of the National Aeronautics and Space Administration (NASA) are described. These projects were selected competitively from among proposals submitted to NASA in response to the 1991 SBIR Program Solicitation. The basic document consists of edited, non-proprietary abstracts of the winning proposals submitted by small businesses. The abstracts are presented under the 15 technical topics within which Phase 1 proposals were solicited. Each project was assigned a sequential identifying number from 001 to 301, in order of its appearance in the body of the report. Appendixes to provide additional information about the SBIR program and permit cross-reference of the 1991 Phase 1 projects by company name, location by state, principal investigator, NASA Field Center responsible for management of each project, and NASA contract number are included

Innovations in non-destructive techniques for fruit quality control applied to manipulation and inspection lines

Tesis por compendioLa industria alimentaria, concretamente el sector poscosecha, necesita innovar en sus procesos productivos, optimizando los mismos para rentabilizar sus actividades, garantizando productos de calidad capaces de satisfacer las necesidades de los consumidores. La presente tesis doctoral se centra en evaluar el potencial de la espectroscopia VIS-NIR para la caracterización e inspección de la calidad de la fruta tanto fuera de línea como a tiempo real en procesos automatizados. En un primer lugar, la viabilidad de la técnica se estudió a nivel de laboratorio en estado estático (off-line), con el fin de conocer y optimizar las condiciones de medición. Posteriormente, se evaluó la calidad interna y externa de diferentes tipos de frutas como son caqui, nectarina y mango. En una segunda etapa, se llevó a cabo una automatización de los procesos de inspección mediante el desarrollo de nuevos prototipos in-line. Para este propósito, y con el objetivo de completar y corroborar los resultados obtenidos de manera estática, se estudió la integración de dos sondas VIS-NIR en una garra robótica capaz de manipular mangos. Finalmente, se estudió la integración de una sonda VIS-NIR a una cinta transportadora. Los resultados obtenidos a nivel estático han demostrado que la espectroscopia VIS-NIR es un método no destructivo muy prometedor para predecir la astringencia en caqui. Así mismo, ha demostrado ser una adecuada herramienta para clasificar al 100% entre variedades de nectarinas como "Big Top" y "Diamond Ray" con una apariencia externa e interna muy similar, pero con diferentes propiedades organolépticas. De manera similar, fue posible clasificar al 100% variedades como "Big Top" y "Magique" de apariencia externa y composición similar pero distinto color de pulpa., y además se desarrolló un índice de calidad interna (IQI) para evaluar la calidad de las nectarinas. Por lo que respecta a los trabajos off-line realizados con mangos de la variedad "Osteen", fue posible predecir su calidad interna mediante los índices de madurez (RPI) y de calidad (IQI) con un gran rendimiento. A su vez, los ensayos experimentales efectuados con estos mismos mangos bajo la manipulación no destructiva de una garra robótica, demostraron que los mejores modelos eran capaces de predecir tanto la firmeza mecánica, el contenido en sólidos solubles, la luminosidad de la pulpa, así como el índice RPI de las muestras en base a la información obtenida por los acelerómetros instalados en los dedos de la garra robótica. En cuanto a los ensayos realizados de manera in-line, el primer prototipo desarrollado se basó en la integración de dos sondas VIS-NIR en una garra robótica dispuesta con dos acelerómetros. El sistema desarrollado permitió alcanzar una buena estimación de la calidad del mango a través del índice RPI fusionando la información tanto de los espectros VIS-NIR como del impacto no destructivo de los acelerómetros. De este modo quedó demostrado que era posible obtener una predicción similar trabajando de forma in-line como trabajando de manera off-line para la predicción del mismo índice de calidad en mangos. El segundo prototipo in-line desarrollado se basa en la integración de una sonda VIS-NIR en una cinta transportadora para la identificación de distintas variedades y orígenes de manzanas. El prototipo desarrollado permitió registrar resultados de clasificación tan buenos como los efectuados de manera off-line con, por ejemplo, nectarina. De este modo, se puede concluir que la espectroscopia VIS-NIR permite monitorear la calidad y clasificar fruta poscosecha tanto en modo off-line como in-line. Los nuevos prototipos desarrollados aportan claras ventajas respecto a los procesos tradicionales realizados a mano, como son la reducción del tiempo de inspección, la disminución de la cantidad de residuos generados y la posibilidad de inspeccionar toda la producción, obteniendo así un análisis más estandarizThe food industry, concretely the post-harvest sector, needs to innovate in their production processes, optimizing them to make their activities profitable, guaranteeing quality products capable of satisfying the needs of consumers. The present doctoral thesis focuses on evaluating the potential of visible and near infrared spectroscopy (VIS-NIR) for the characterization and inspection of fruit quality both off-line and in real time in automated processes. Firstly, the viability of the technique was studied at the laboratory level in a static mode (off-line), in order to know and optimise the measurement conditions. Subsequently, the internal and external quality of different types of fruits such as persimmon, nectarine and mango were evaluated. Secondly, an automation of the inspection processes was carried out through the development of new in-line prototypes. For this purpose, and with the aim of completing and corroborating the results obtained in a static mode, the integration of two VIS-NIR probes in a robotic gripper capable of manipulating mangoes was studied. Finally, the integration of a VIS-NIR probe to a conveyor belt was studied as an in-line monitoring tool on the inspection process of different apple varieties. The results obtained in static mode have shown that VIS-NIR spectroscopy is a very promising non-destructive method to predict the astringency in persimmon. Likewise, it has demonstrated to be an adequate tool to classify 100% between nectarine varieties such as 'Big Top' and 'Diamond Ray' with very similar external and internal appearance, but with different organoleptic properties. Similarly, it was possible to classify 100% varieties such as 'Big Top' and 'Magique' with external appearance and similar composition but different pulp colour. An internal quality index (IQI) was developed to evaluate the quality of nectarines, which can be predicted through VIS-NIR spectroscopy. Regarding the off-line work carried out with mangoes of 'Osteen' variety, it was possible to predict its internal quality through the indexes of maturity (RPI) and quality (IQI) with a high performance. Moreover, the experimental tests carried out with these same mangoes under the non-destructive manipulation of a robotic gripper, showed that the best models were able to predict both the mechanical firmness, the soluble solids content, the brightness of the pulp, as well as the RPI index of the samples based on the information obtained by the accelerometers installed on the fingers of the robotic gripper. Regarding the tests carried out in an in-line mode, the first developed prototype was based on the integration of two VIS-NIR probes in a robotic gripper fitted with two accelerometers. The developed system allowed reaching a good estimation of mango quality through the RPI index. In this way, it was demonstrated that it was possible to obtain a similar prediction working in-line as off-line mode for the prediction of the same quality index in mangoes. The second developed in-line prototype is based on the integration of a VIS-NIR probe in a conveyor belt for the identification of different varieties and origins of apples, achieving a success rate of 98% with the system. The developed prototype allowed to register classification results as good as those carried out off-line with, for example, nectarine. In this way, it can be concluded that VIS-NIR spectroscopy allows monitoring the quality and classifying post-harvest fruit in both off-line and in-line mode, being a tool that allows improving and guaranteeing the correct quality and food safety. The new developed prototypes provide clear advantages over the traditional processes performed by hand, such as the reduction of inspection time, the reduction of the amount of waste generated by destructive quality analysis and the possibility of inspecting full production, obtaining a more standardised analysis of the quality of the products.La indústria alimentària, concretament el sector postcollita, necessita innovar en els seus processos productius, optimitzant els mateixos per a rendibilitzar les seues activitats, garantint productes de qualitat capaços de satisfer les necessitats dels consumidors. La present tesi doctoral es centra en avaluar el potencial de l'espectroscòpia visible i infraroig pròxim (VIS-NIR) per a la caracterització i la inspecció de la qualitat de la fruita tant fora de línia com a temps real en processos automatitzats. En un primer lloc, la viabilitat de la tècnica es va estudiar a nivell de laboratori en estat estàtic (off-line), a fi de conéixer i optimitzar les condicions de mesurament. Posteriorment, es va avaluar la qualitat interna i externa de diferents tipus de fruites com són caqui, nectarina i mango. En una segona etapa, es va dur a terme una automatització dels processos d'inspecció per mitjà del desenvolupament de nous prototips in-line. Per aquest propòsit, i amb l'objectiu de completar i corroborar els resultats obtinguts de manera estàtica, es va estudiar la integració de dos sondes VIS-NIR en una garra robòtica capaç de manipular. Finalment, es va estudiar la integració d'una sonda VIS-NIR a una cinta transportadora. Els resultats obtinguts a nivell estàtic han demostrat que l'espectroscòpia VIS-NIR és un mètode no destructiu molt prometedor per a predir l'astringència en caqui. Així mateix, ha demostrat ser una adequada ferramenta per a classificar al 100% entre varietats de nectarines com "Big Top" i "Diamond Ray" amb una aparença externa i interna molt semblant, però amb diferents propietats organolèptiques. De manera semblant, va ser possible classificar al 100% varietats com "Big Top" i "Magique" d'aparença externa i composició semblant però distint color de polpa. Es va desenvolupar un índex de qualitat interna (IQI) per avaluar la qualitat de les nectarines. Pel que fa als treballs off-line realitzats amb mangos de la varietat "Osteen" va ser possible predir la seua qualitat interna mitjançant els índexs de maduresa (RPI) i de qualitat (IQI) amb un gran rendiment. Al mateix temps, els assajos experimentals efectuats amb estos mateixos mangos baix la manipulació no destructiva d'una garra robòtica, van demostrar que els millors models eren capaços de predir tant la fermesa mecánica, el contingut en sòlids solubles, la lluminositat de la polpa, així com l'índex RPI de les mostres basant-se en l'informació obtinguda pels acceleròmetres instal¿lats en els dits de la garra robòtica. En quant als assajos realitzats de manera in-line, el primer prototip desenvolupat es va basar en la integració de dos sondes VIS-NIR en una garra robòtica disposada amb dos acceleròmetres. El sistema desenvolupat va permetre aconseguir una bona estimació de la qualitat del mango a través de l'índex RPI fusionant l'informació tant dels espectres VIS-NIR com de l'impacte no destructiu dels acceleròmetres. D'esta manera va quedar demostrat que era possible obtindre una predicció semblant treballant de forma in-line com off-line per a la predicció del mateix índex de qualitat en mangos. El segon prototip in-line desenvolupat es va basar en la integració d'una sonda VIS-NIR en una cinta transportadora per a l'identificació de distintes varietats i orígens de pomes. El prototip desenvolupat va permetre registrar resultats de classificació tan bons com els efectuats de manera off-line. D'aquesta manera, es pot concloure que l'espectroscòpia VIS-NIR permet monitorar la qualitat i classificar fruita postcollita tant en mode off-line com in-line. Els nous prototips desenvolupats aporten clars avantatges respecte als processos tradicionals realitzats a mà, com són la reducció del temps d'inspecció, la disminució de la quantitat de residus generats pels anàlisis destructives de qualitat i la possibilitat d'inspeccionar tota la producció, obtenint així un anàlisi més estandarditzCortés López, V. (2018). Innovations in non-destructive techniques for fruit quality control applied to manipulation and inspection lines [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/110969TESISCompendi

Research and technology at Kennedy Space Center

As the NASA Center responsible for assembly, checkout, servicing, launch, recovery, and operational support of Space Transportation System elements and payloads, Kennedy Space Center is placing increasing emphasis on the Center's research and technology program. In addition to strengthening those areas of engineering and operations technology that contribute to safer, more efficient, and more economical execution of current mission, the technical tools are developed needed to execute Center's mission relative to future programs. The Engineering Development Directorate encompasses most of the laboratories and other Center resources that are key elements of research and technology program implementation and is responsible for implementation of the majority of the projects in this Kennedy Space Center 1989 Annual Report

ANISOTROPIC POLARIZED LIGHT SCATTER AND MOLECULAR FACTOR COMPUTING IN PHARMACEUTICAL CLEANING VALIDATION AND BIOMEDICAL SPECTROSCOPY

Spectroscopy and other optical methods can often be employed with limited or no sample preparation, making them well suited for in situ and in vivo analysis. This dissertation focuses on the use of a near-infrared spectroscopy (NIRS) and polarized light scatter for two such applications: the assessment of cardiovascular disease, and the validation of cleaning processes for pharmaceutical equipment.There is a need for more effective in vivo techniques for assessing intravascular disorders, such as aortic aneurysms and vulnerable atherosclerotic plaques. These, and other cardiovascular disorders, are often associated with structural remodeling of vascular walls. NIRS has previously been demonstrated as an effective technique for the analysis of intact biological samples. In this research, traditional NIRS is used in the analysis of aortic tissue samples from a murine knockout model that develops abdominal aortic aneurysms (AAAs) following infusion of angiotensin II. Effective application of NIRS in vivo, however, requires a departure from traditional instrumental principles. Toward this end, the groundwork for a fiber optic-based catheter system employing a novel optical encoding technique, termed molecular factor computing (MFC), was developed for differentiating cholesterol, collagen and elastin through intervening red blood cell solutions. In MFC, the transmission spectra of chemical compounds are used to collect measurements directly correlated to the desired sample information.Pharmaceutical cleaning validation is another field that can greatly benefit from novel analytical methods. Conventionally cleaning validation is accomplished through surface residue sampling followed by analysis using a traditional analytical method. Drawbacks to this approach include cost, analysis time, and uncertainties associated with the sampling and extraction methods. This research explores the development of in situ cleaning validation methods to eliminate these issues. The use of light scatter and polarization was investigated for the detection and quantification of surface residues. Although effective, the ability to discriminate between residues was not established with these techniques. With that aim in mind, the differentiation of surface residues using NIRS and MFC was also investigated

Characterization of heavy oil fractions using spectrometric techniques

The work presented in this thesis was focused on developing spectroscopic techniques that can be easily incorporated in an instrument for the rapid characterization of heavy oil fractions. Transmission infrared, attenuated total reflectance infrared, visible, and nuclear magnetic resonance spectroscopy were the techniques studied in the course of this project. The key properties of the heavy petroleum fraction that were characterized are as follows: Viscosity parameter: Viscosity at 210 and 100 °F, Viscosity Index Compositional: Relative percentage content of paraffin, naphthene, and aromatic Optical: Color of the heavy oil fraction The techniques developed in this project would reduce the labor and maintenance involved in the quality control labs in the industry. The time scale of characterization by these techniques is of the order of 4 minutes and hence, the results can be used more effectively for process feedback. This is in stark contrast to the time taking characterization techniques prevalent in the industry. The following are the outcome of the project: The transmission Infrared (IR) is inappropriate for predicting the heavy oil properties Attenuated Total Reflectance (ATR) Infrared (IR) measurement is better for the present purposes Predictions o key viscosity parameters of the heavy oil fraction (Viscosity at 100 and 210°F, and Viscosity Index) based on ATR IR measurements are good ATR IR spectra also correlated well with the compositional properties (percentage paraffin, naphthene,and aromatic) of the heavy oil fractions derived from the Nuclear Magnetic Resonance (NMR) spectra of the oil fractions For color characterization, IR spectrum was found inadequate. Visible spectra of the samples was found to be more useful for color characterization The findings from the project suggest that a combination of ATR IR and visible spectroscopic measurement techniques can successfully characterize the properties of heavy oil fractions. In future, these methods of analysis can be formalized into procedures transferable to a prototype analyzer