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ELIMINATION OF INTERFERENCES IN SPECTRAL DATA

APPLIED SPECTROSCOPY 1989年第7期43卷 1135-1139页

作者： LACEY, RF Hewlett-Packard Laboratories P.O. Box 10490 Palo Alto California 94303-0971

A general-purpose method for eliminating one or more interferences from spectra in a completely objective way is described. The method, called least-squares subtraction, depends only on the linearity of the spectra and the linear independence of the analyte's spectrum from those of the interferences. The spectrum that results after correction is modified from the spectrum of the pure analyte, but it can still be used for quantitation and identification. Because of this modification, the method is best applied to problems where the presence of the analyte is obscured by the interferences, or when fast, automatic removal of one or more time-varying interferences from a series of spectra is required. The method is illustrated by the removal of a strong interference from the ATR measurement of the infrared spectrum of an enzyme-substrate complex and the removal of a changing chromatographic baseline from the output of a liquid chromatograph's diode array detector.

关键词： Spectral subtraction Baseline correction computer algorithm Automatic correction

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DEPLETION-REGION WIDTH OF P-N-JUNCTION UNDER HIGH FORWARD-BIAS CONDITIONS

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PROCEEDINGS OF THE INSTITUTION OF ELECTRICAL ENGINEERS-LONDON 1979年第5期126卷 361-364页

作者： JAIN, LC GARUD, GN Department of Electrical Engineering Visvesvaraya Regional College of Engineering Nagpur India

A new technique is used for the accurate analysis of linearly graded and Gaussian-graded p-n junctions, which permits calculation of the depletion-region width under high forward-bias conditions. Such an analysis is very useful for applications in which one wishes to analyse a complete junction-device structure (such as a bipolar transistor). The results obtained represent a considerable improvement in space-charge modelling over previous approaches to approximate linear analysis. The computer algorithm is discussed as a solution process for implementing the scheme.

关键词： linearly graded semiconductor device models Semiconductor device modelling, equivalent circuits, design and testing approximate linear analysis Electronic engineering computing computer algorithm depletion region width under high forward bias conditions electronic engineering computing p-n junctions Semiconductor junctions space charge modelling Gaussian graded

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Evaluation of an algorithm for interpreting atomic absorption data

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SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY 1999年第3-4期54卷 571-580页

作者： Prewett, W Promphutha, M Chiang Mai Univ Dept Geol Sci Fac Sci Chiang Mai 50200 Thailand

Flame atomic absorption spectrophotometry has been used for testing the algorithm of a computer program used for interpreting photoabsorptiometric data. Four attributes namely: maximum permissible range of calibration;maximum permissible spacing between calibration points;accuracy of standard additions extrapolation;and speed of computation were tested. The calibration range for copper, can extend to 500 times the characteristic concentration while keeping biases less than +/- 1 S.D. unit. For nickel and lead, the limit is 100 units of characteristic concentration. This permits measurement within the range of minimum cv. An Intel 80486DX microprocessor calculates all coefficients on a 255-point data set within 0.12 s. The algorithm gives an accurate regression fit and it is suggested that it might usefully be incorporated into modern AAS equipment. (C) 1999 Elsevier Science B.V. All rights reserved.

关键词： characteristic concentration calibration Beer-Lambert law computer algorithm

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Special classes of snarks

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ACTA APPLICANDAE MATHEMATICAE 2003年第1期76卷 57-88页

作者： Cavicchioli, A Murgolo, TE Ruini, B Spaggiari, F Univ Modena Dipartimento Matemat Pura & Applicata I-41100 Modena Italy

We report the most relevant results on the classification, up to isomorphism, of nontrivial simple uncolorable (i.e., the chromatic index equals 4) cubic graphs, called snarks in the literature. Then we study many classes of snarks satisfying certain additional conditions, and investigate the relationships among them. Finally, we discuss connections between the snark family and some significant conjectures of graph theory, and list some problems and open questions which arise naturally in this research.

关键词： simple cubic graphs chromatic index girth cyclic edge-connectivity snarks almost-Hamiltonian snarks hypo-Hamiltonian snarks critical snarks irreducible snarks total colorings total chromatic number flows computer algorithm

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Degradation of sulfadiazine by UV/Oxone: roles of reactive oxidative species and the formation of disinfection byproducts

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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH 2022年第36期29卷 54407-54420页

作者： Chen, Juxiang Dai, Caiqiong Zhu, Yanping Gao, Yuqiong Chu, Wenhai Gao, Naiyun Wang, Qiongfang Xinjiang Univ Coll Architecture & Civil Engn Urumqi 830017 Peoples R China Donghua Univ Coll Environm Sci & Engn Shanghai 201620 Peoples R China Univ Shanghai Sci & Technol Sch Environm & Architecture Shanghai 200093 Peoples R China Tongji Univ Coll Environm Sci & Engn State Key Lab Pollut Control & Resource Reuse Shanghai 200092 Peoples R China Shanghai Univ Engn Sci Coll Chem & Chem Engn Shanghai 201600 Peoples R China

Sulfadiazine (SDZ) is a typical persistent sulfonamide antibiotic, which has been widely detected in natural drinking water sources. The degradation of SDZ by UV/Oxone (potassium monopersulfate compound) was explored in this study. The results showed that Cl- can effectively activate PMS to promote rapid degradation of SDZ in the Oxone process by forming chlorine in the system. Radical quenching tests suggested that radical oxidation, including HO center dot, SO4 center dot-, and reactive chlorine species (RCS), played an important role by UV/Oxone. It further verified that concentration and distribution of HO center dot, SO4 center dot-, and RCS were pH-dependent;RCS act as a major contributor at pH 6.0 and pH 7.0 to degrade SDZ in this process. The SDZ degradation rate was firstly increased and then decreased by Cl- and HCO3- (0-10 mM);HA (0-10 mg L-1) exhibited insignificant influence on SDZ degradation. The degradation pathways of SDZ during UV/Oxone and formation pathways of five disinfection byproducts during subsequent chlorination were proposed. The possible DBP precursors formed by SO2 extrusion, hydroxylation, and chlorination of SDZ during UV/Oxone pre-oxidation.

关键词： Sulfadiazine (SDZ) Advanced oxidation process (AOP) Reactive Chlorine species (RCS) Contribution rate computer algorithm

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Comparison of shock calculation methods

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JOURNAL OF AIRCRAFT 1998年第4期35卷 647-649页

作者： Rudd, LV Lewis, MJ Univ Maryland Dept Aerosp Engn College Pk MD 20742 USA

A study was conducted to compare shock angle calculations using both closed-form and iterative root-solving techniques. Both the common weak shock solution and the strong shock solution were studied. It was found that the closed-form solutions are indeed of practical use because they enhance efficiency in computer algorithms for all but the most limited of cases.

关键词： Freestream Mach Number Iterative Solution Mach Waves computer algorithm Oblique Shock Computing FORTRAN

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Misdiagnosis of atrial fibrillation and its clinical consequences

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AMERICAN JOURNAL OF MEDICINE 2004年第9期117卷 636-642页

作者： Bogun, F Anh, D Kalahasty, G Wissner, E Serhal, CB Bazzi, R Weaver, WD Schuger, C Henry Ford Hosp Div Cardiol Detroit MI 48202 USA

PURPOSE: computer algorithms are often used for cardiac rhythm interpretation and are subsequently corrected by an overreading physician. The purpose of this study was to assess the incidence and clinical consequences of misdiagnosis of atrial fibrillation based on a 12-lead electrocardiogram (ECG). METHODS: We retrieved 2298 ECGs with the computerized interpretation of atrial fibrillation from 1085 patients. The ECGs were reinterpreted to determine the accuracy of the interpretation. In patients in whom the interpretation was incorrect, we reviewed the medical records to assess the clinical consequences resulting from misdiagnosis. RESULTS: We found that 442 ECGs (19%) from 382 (35%) of the 1085 patients had been incorrectly interpreted as atrial fibrillation by the computer algorithm. In 92 patients (24%), the physician ordering the ECG had failed to correct the inaccurate interpretation, resulting in change in management and initiation of inappropriate treatment, including antiarrhythmic medications and anticoagulation in 39 patients (10%), as well as unnecessary additional diagnostic testing in 90 patients (24%). A final diagnosis of paroxysmal atrial fibrillation based on the initial incorrect interpretation of the ECGs was generated in 43 patients (11%). CONCLUSION: Incorrect computerized interpretation of atrial fibrillation, combined with the failure of the ordering physician to correct the erroneous interpretation, can result in the initiation of unnecessary, potentially harmful medical treatment as well as inappropriate use of medical resources. Greater efforts should be directed toward educating physicians about the electrocardiographic appearance of atrial dysrhythmias and in the recognition of confounding artifacts. (C) 2004 by Elsevier Inc.

关键词： .initiation atrial brillation Atrial Fibrillation Misdiagnosis Clinical Consequences overreading lead electrocardiogram computerized interpretation computer algorithm paroxysmal incorrect interpretation ordering physician

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Development of an algorithm for automatic classification of right ventricle deformation patterns in arrhythmogenic right ventricular cardiomyopathy

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ECHOCARDIOGRAPHY-A JOURNAL OF CARDIOVASCULAR ULTRASOUND AND ALLIED TECHNIQUES 2020年第5期37卷 698-705页

作者： Groen, Marijn H. A. Bosman, Laurens P. Teske, Arco J. Mast, Thomas P. Taha, Karim Van Slochteren, Frebus J. Cramer, Maarten J. Doevendans, Pieter A. van Es, Rene Univ Utrecht Univ Med Ctr Utrecht Dept Cardiol Div Heart & Lungs Heidelberglaan 100 NL-3584 CX Utrecht Netherlands Netherlands Heart Inst Utrecht Netherlands Catharina Hosp Dept Cardiol Eindhoven Netherlands

Background Different disease stages of arrhythmogenic right ventricular cardiomyopathy (ARVC) can be identified by right ventricle (RV) longitudinal deformation (strain) patterns. This requires assessment of the onset of shortening, (systolic) peak strain, and postsystolic index, which is time-consuming and prone to inter- and intra-observer variability. The aim of this study was to design and validate an algorithm to automatically classify RV deformation patterns. Methods We developed an algorithm based on specific local characteristics from the strain curves to detect the parameters required for classification. Determination of the onset of shortening by the algorithm was compared to manual determination by an experienced operator in a dataset containing 186 RV strain curves from 26 subjects carrying a pathogenic plakophilin-2 (PKP2) mutation and 36 healthy subjects. Classification agreement between operator and algorithm was solely based on differences in onset shortening, as the remaining parameters required for classification of RV deformation patterns could be directly obtained from the strain curves. Results The median difference between the onset of shortening determined by the experienced operator and by the automatic detector was 5.3 ms [inter-quartile range (IQR) 2.7-8.6 ms]. 96% of the differences were within 1 time frame. Both methods correlated significantly with rho = 0.97 (P < .001). For 26 PKP2 mutation carriers, there was 100% agreement in classification between the algorithm and experienced operator. Conclusion The determination of the onset of shortening by the experienced operator was comparable to the algorithm. Our computer algorithm seems a promising method for the automatic classification of RV deformation patterns. The algorithm is publicly available at the MathWorks File Exchange.

关键词： arrhythmogenic right ventricular cardiomyopathy classification computer algorithm strain

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Rapid and automated processing of MALDI-FTICR/MS data for ¹⁵N-metabolic labeling in a shotgun proteomics analysis

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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 2009年第1-3期287卷 27-31页

作者： Jing, Li Amster, I. Jonathan Univ Georgia Dept Chem Athens GA 30602 USA

Offline high performance liquid chromatography combined with matrix assisted laser desorption and Fourier transform ion cyclotron resonance mass spectrometry (HPLC-MALDI-FTICR/MS) provides the means to rapidly analyze complex mixtures of peptides, such as those produced by proteolytic digestion of a proteome. This method is particularly useful for making quantitative measurements of changes in protein expression by using N-15-metabolic labeling. Proteolytic digestion of combined labeled and unlabeled proteomes produces complex mixtures with many mass overlaps when analyzed by HPLC-MALDI-FTICR/MS. A significant challenge to data analysis is the matching of pairs of peaks which represent an unlabeled peptide and its labeled counterpart. We have developed an algorithm and incorporated it into a computer program which significantly accelerates the interpretation of 15N-metabolic labeling data by automating the process of identifying unlabeled/labeled peak pairs. The algorithm takes advantage of the high resolution and mass accuracy of FTICR mass spectrometry. The algorithm is shown to be able to successfully identify the N-15/N-14 peptide pairs and calculate peptide relative abundance ratios in highly complex mixtures from the proteolytic digest of a whole organism protein extract. (C) 2009 Elsevier B.V. All rights reserved.

关键词： FTICR MALDI Proteomics computer algorithm

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IDENTIFICATION OF SEQUENCE MOTIFS FROM A SET OF PROTEINS WITH RELATED FUNCTION

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PROTEIN ENGINEERING 1994年第2期7卷 165-171页

作者： SAQI, MAS STERNBERG, MJE Biomolecular Modelling Laboratory Imperial Cancer Research FundPO Box 123 44 Lincoln's Inn Fields London WCia 3PX UK

The automatic identification of moths associated with a given function is an important challenge for molecular sequence analysis. A method is presented for the extraction of such patterns from large sets of unaligned sequences with related but general function, for example, a set of heat shock proteins. In such a set of proteins there can often be several subfamilies each characterized by one or more distinct moths. The aim is to develop computational tools to identify these moths. The algorithm presented locates high frequency words of length k with a given number of positions, r, fixed. statistics for a binomial distribution are used to assess the significance of the words. The high-frequency words are clustered and highly populated clusters retained. The composition of the clusters is displayed graphically. A set of moths associated with the sequence family can automatically be extracted. The method is benchmarked on a set of 106 heat shock sequences and a set of 257 toxin sequences. It is shown to recover previously identified motifs.

关键词： computer algorithm CONSENSUS PATTERN MODELING PREDICTION OF PROTEIN FUNCTION SEQUENCE PATTERN

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