Forecasting sales of slow and fast moving inventories

Traditional computerised inventory control systems usually rely on exponential smoothing to forecast the demand for fast moving inventories. Practices in relation to slow moving inventories are more varied, but the Croston method is often used. It is an adaptation of exponential smoothing that (1) incorporates a Bernoulli process to capture the sporadic nature of demand and (2) allows the average variability to change over time. The Croston approach is critically appraised in this paper. Corrections are made to underlying theory and modifications are proposed to overcome certain implementation difficulties. A parametric bootstrap approach is outlined that integrates demand forecasting with inventory control. The approach is illustrated on real demand data for car parts.     

Diastereoselective Synthesis of and Mechanistic Understanding for the Formation of 2‐Piperidinones from Imines and Cyano‐Substituted Anhydrides

2‐Piperidinones are synthesized in a single step from imines and 2‐cyano glutaric anhydrides. The reaction provides the products in good diastereoselectivity and generates a quaternary stereogenic center. Substitutions on the anhydride skeleton are well tolerated to provide 2‐piperidinones with three stereogenic centers from a single transformation. The pertinent transition structures have also been computed using quantum mechanics and reveal the key interactions controlling the stereochemical outcome of the reaction.     

Pyrone Diels–Alder Routes to Indolines and Hydroindolines: Syntheses of Gracilamine,Mesembrine, and Δ7‐Mesembrenone

Although the Diels–Alder reaction has long been utilized for the preparation of numerous heterocycles, opportunities to extend its power remain. Herein, we detail a simple, modular, and robust approach that combines various amines regioselectively with 4,6‐dichloropyrone to create substrates which, under appropriate conditions, can directly deliver varied indolines and hydroindolines through [4+2] cycloadditions with substitution patterns difficult to access otherwise. As an initial demonstration of the power of the strategy, several different natural products have been obtained either formally or by direct total synthesis, with efforts toward one of these—the complex amaryllidaceae alkaloid gracilamine—affording the shortest route to date in terms of linear step count.     

Multigenerational Broadband Collision-Induced Dissociation of Precursor Ions in a Linear Quadrupole Ion Trap

A method of fragmenting ions over a wide range of m/z values while balancing energy deposition into the precursor ion and available product ion mass range is demonstrated. In the method, which we refer to as “multigenerational collision-induced dissociation”, the radiofrequency (rf) amplitude is first increased to bring the lowest m/z of the precursor ion of interest to just below the boundary of the Mathieu stability diagram (q = 0.908). A supplementary AC signal at a fixed Mathieu q in the range 0.2–0.35 (chosen to balance precursor ion potential well depth with available product ion mass range) is then used for ion excitation as the rf amplitude is scanned downward, thus fragmenting the precursor ion population from high to low m/z. The method is shown to generate high intensities of product ions compared with other broadband CID methods while retaining low mass ions during the fragmentation step, resulting in extensive fragment ion coverage for various components of complex mixtures. Because ions are fragmented from high to low m/z, space charge effects are minimized and multiple discrete generations of product ions are produced, thereby giving rise to “multigenerational” product ion mass spectra.

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Patterns in Protein Flexibility: A Comparison of NMR “Ensembles”, MD Trajectories,and Crystallographic B-Factors

Proteins are molecular machines requiring flexibility to function. Crystallographic B-factors and Molecular Dynamics (MD) simulations both provide insights into protein flexibility on an atomic scale. Nuclear Magnetic Resonance (NMR) lacks a universally accepted analog of the B-factor. However, a lack of convergence in atomic coordinates in an NMR-based structure calculation also suggests atomic mobility. This paper describes a pattern in the coordinate uncertainties of backbone heavy atoms in NMR-derived structural “ensembles” first noted in the development of FindCore2 (previously called Expanded FindCore: DA Snyder, J Grullon, YJ Huang, R Tejero, GT Montelione, Proteins: Structure, Function, and Bioinformatics 82 (S2), 219–230) and demonstrates that this pattern exists in coordinate variances across MD trajectories but not in crystallographic B-factors. This either suggests that MD trajectories and NMR “ensembles” capture motional behavior of peptide bond units not captured by B-factors or indicates a deficiency common to force fields used in both NMR and MD calculations.     

Nanoporous and proton conductive hydrophobic–hydrophilic copolymer thermoset membranes

Copolymers of hydrophobic diglycidyl ether of bisphenol A (DGEBA) vinyl ester (VE) and hydrophilic 2‐acrylamido 2‐methyl 1‐propane sulfonic acid (AMPS) were evaluated as proton conducting membranes for fuel cell applications. Membranes were synthesized using free radical copolymerization in the presence of a common solvent for both monomers, dimethyl formamide (DMF), followed by solvent removal by supercritical CO₂ to induce porosity. Micrographs revealed pore sizes below 60 nm with porosity proportional to the initial solvent fraction used. Studies on the states of water showed that the presence of this pore volume significantly altered the freezable water fraction at equivalent AMPS concentrations. Comparison of the moles of water per mole of sulfonic acid (λ) between copolymer membranes and AMPS monomer solutions showed that the nonfreezable water (λ|_nonfr) was depressed at high AMPS concentrations, suggesting that differences in interatomic distances between sulfonic acid groups might alter λ|_nonfr. The highest average through plane conductivity of membranes was determined to be 30 mS/cm and was comparable to that of Nafion®117 (27 mS/cm). The effective proton mobility, μ_eff, was calculated and suggested to be a parameter used to capture the effects of membrane structure and swelling while acting as a comparison between different membrane types. Fuel cell tests on membranes at low ion exchange capacities were compared to Nafion®117, with suggestions on improvements of copolymer structures for improved performance. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1245–1255, 2010     

RF interference suppression in a cardiac synchronization system operating in a high magnetic field NMR imaging system

An electrocardiographic (ECG) unit suitable for cardiac-synchronized nuclear magnetic resonance imaging in high magnetic fields is presented. The unit includes lossy transmission lines as ECG leads in order to supress radio frequency (RF) interference in the electrocardiogram. The unit's immunity to RF interference is demonstrated.