Correlation dimension: A pivotal statistic for non-constrained realizations of composite hypotheses in surrogate data analysis

Currently surrogate data analysis can be used to determine if data is consistent with various linear systems, or something else (a nonlinear system). In this paper we propose an extension of these methods in an attempt to make more specific classifications within the class of nonlinear systems.

In the method of surrogate data one estimates the probability distribution of values of a test statistic for a set of experimental data under the assumption that the data is consistent with a given hypothesis. If the probability distribution of the test statistic is different for different dynamical systems consistent with the hypothesis, one must ensure that the surrogate generation technique generates surrogate data that are a good approximation to the data. This is often achieved with a careful choice of surrogate generation method and for noise driven linear surrogates such methods are commonly used.

This paper argues that, in many cases (particularly for nonlinear hypotheses), it is easier to select a test statistic for which the probability distribution of test statistic values is the same for all systems consistent with the hypothesis. For most linear hypotheses one can use a reliable estimator of a dynamic invariant of the underlying class of processes. For more complex, nonlinear hypothesis it requires suitable restatement (or cautious statement) of the hypothesis. Using such statistics one can build nonlinear models of the data and apply the methods of surrogate data to determine if the data is consistent with a simulation from a broad class of models. These ideas are illustrated with estimates of probability distribution functions for correlation dimension estimates of experimental and artificial data, and linear and nonlinear hypotheses.     

A recommended and verified procedure for in situ tryptic digestion of formalin‐fixed paraffin‐embedded tissues for analysis by matrix‐assisted laser desorption/ionization imaging mass spectrometry

Matrix‐assisted laser desorption/ionization imaging mass spectrometry (MALDI IMS) is a molecular imaging technology uniquely capable of untargeted measurement of proteins, lipids, and metabolites while retaining spatial information about their location in situ. This powerful combination of capabilities has the potential to bring a wealth of knowledge to the field of molecular histology. Translation of this innovative research tool into clinical laboratories requires the development of reliable sample preparation protocols for the analysis of proteins from formalin‐fixed paraffin‐embedded (FFPE) tissues, the standard preservation process in clinical pathology. Although ideal for stained tissue analysis by microscopy, the FFPE process cross‐links, disrupts, or can remove proteins from the tissue, making analysis of the protein content challenging. To date, reported approaches differ widely in process and efficacy. This tutorial presents a strategy derived from systematic testing and optimization of key parameters, for reproducible in situ tryptic digestion of proteins in FFPE tissue and subsequent MALDI IMS analysis. The approach describes a generalized method for FFPE tissues originating from virtually any source.     

Optimisation of dead-end filtration conditions for an immersed anoxic membrane bioreactor

The optimisation of the energy demand in the application of dead-end filtration in an immersed membrane bioreactor applied to groundwater denitrification has been studied. Filtration cycle length was varied at a set flux to control the amount of foulant deposited at the membrane surface. Physical cleans comprising a simultaneous backflush and gas injection were subsequently instigated and the reversibility of the deposit determined by the residual resistance, R_res. Examination of R_res versus flux and cycle length variation indicated an operational envelope where limited fouling occurred. The transition from limited fouling to extensive fouling was indicated by a parameter based on the critical accumulated mass, indicating incipient deposit consolidation. The transition between regions became less severe when the solids retention time was increased from 10 to 25 and 40 days. This was apparently related to a shift in bulk physical characteristics. Nevertheless, low residual fouling was observed during long-term filtration when operating below the critical mass, resulting in a 20× reduction in energy demand over that of constant gas injection.     

Structure-activity relationships in cholapod anion carriers: enhanced transmembrane chloride transport through substituent tuning

Chloride transport by a series of steroid-based "cholapod" receptors/carriers was studied in vesicles. The principal method involved preincorporation of the cholapods in the vesicle membranes, and the use of lucigenin fluorescence quenching to detect inward-transported Cl-. The results showed a partial correlation between anion affinity and transport activity, in that changes at the steroidal 7 and 12 positions affected both properties in concert. However, changes at the steroidal 3-position yielded irregular effects. Among the new steroids investigated the bis-p-nitrophenylthiourea 3 showed unprecedented activity, giving measurable transport through membranes with a transporter/lipid ratio of 1:250 000 (an average of <2 transporter molecules per vesicle). Increasing transporter lipophilicity had no effect, and positively charged steroids had low activity. The p-nitrophenyl monourea 25 showed modest but significant activity. Measurements using a second method, requiring the addition of transporters to preformed vesicle suspensions, implied that transporter delivery was problematic in some cases. A series of measurements employing membranes of different thicknesses provided further evidence that the cholapods act as mobile anion carriers.     

Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions

Herein we report a concise protocol for the diastereoselective synthesis of novel bridged bicyclic lactams from commercially available components by the sequence of Ugi, ring-closing metathesis (RCM), and Heck reactions. X-ray diffraction studies revealed that the bicyclic products contain varying degrees of pyramidalization of the bridgehead nitrogen atom.     

Microwave assisted digestion of atmospheric aerosol samples followed by inductively coupled plasma mass spectrometry determination of trace elements

A microwave digestion method in a closed vessel was developed for the determination of trace metals in atmospheric aerosols using inductively coupled plasma mass spectrometry (ICP-MS). A recovery study for the elements V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Cd, Sb, and Pb was conducted using multi-elemental standard solutions, NIST 1633b Trace Elements in Coal Fly Ash, and NIST 1648 Urban Particulate Matter. A simple digestion method using only HNO3/H2O2 gave good recoveries (90%-108%) for all elements except Cr in SRM 1648, but yielded low recoveries for SRM 1633b. A more robust method using HNO3/H2O2/HF/H3BO3 yielded higher recoveries (82%-103%) for the lighter elements (V-Zn) in SRM 1633b, and improved the Cr recovery in SRM 1648, but decreased the Se recovery in both SRMs. A comparative analysis of aerosol samples obtained at a remote mountain location Nathiagali, Pakistan (2.5 km above mean sea level), and Mayville, New York, downwind from the highly industrialized Midwestern United States, was carried out using Instrumental Neutron Activation Analysis (INAA) for the elements Cr, Mn, Fe, Co, Zn, As, Se, and Sb. The simple digestion method yielded excellent agreement for Cr, Fe, Zn, As, Se, and Sb, with slopes of the ICP-MS vs. INAA regressions of 0.90-1.00 and R2 values of 0.96-1.00. The regressions for Mn and Co had slopes of 0.82 and 0.84 with R2 values of 0.83 and 0.82, respectively. Addition of HF/H3BO3 did not improve the correlation for any of the elements and degraded the precision somewhat. The technique provides sensitivity and accuracy for trace elements in relatively small aerosol samples used in atmospheric chemistry studies related to SO2 oxidation in cloud droplets. The ability to determine concentrations of a very large number of elements from a single analysis will permit source apportionment of various trace pollutants and hence strategies to control the sources of air pollution. This is particularly important as the health effects of particulate matter are increasingly recognized.     

A concise total synthesis of (+)-FR900482 and (+)-FR66979

The concise, enantioselective total synthesis of the potent antitumor antibiotics (+)-FR900482 and (+)-FR66979 are described. Sharpless asymmetric epoxidation technology has been deployed to construct the optically active aziridine-containing fragment that is joined to the aromatic moiety in a highly convergent manner. Dimethyldioxirane effects the remarkable one-step deprotection/oxidative cyclization of an eight-membered ring amino-ketone to the unique hydroxylamine hemiketal ring system that is a distinctive structural motif of FR900482. This reaction has been exploited in a concise 33-step enantioselective total synthesis of FR900482.     

Future of low-x forward physics at RHIC

Comparisons of particle production from high-energy ion collisions with next-to-leading order perturbative QCD calculations show good agreement down to moderate transverse momentum values. Distributions of azimuthal angle differences between coincident hadrons in these collisions support a partonic origin to the particle production, again down to moderate transverse momentum values. The rapidity dependence of inclusive and coincident particle production can therefore be used to probe parton distribution functions down to small momentum fractions where theory anticipates that parton saturation could be present. This paper describes how such experiments could be completed.Arrival of the final proofs: 27 July 2005PACS: 12.38 Qk, 13.88. + e, 24.85. + p