Inventory sharing via circular unidirectional chaining

This research studies the performance of circular unidirectional chaining – a “lean” configuration of lateral inventory sharing among retailers or warehouses – and compares its performance to that of no pooling and complete pooling in terms of expected costs and optimal order quantities. Each retailer faces uncertain demand, and we wish to minimize procurement, shortage and transshipment costs. In a circular unidirectional chain all retailers are connected in a closed loop, so that each retailer can cooperate with exactly two others as follows: receive units (if needed?available) from the left “neighbor” and send units (if needed?available) to the right, and a retailer who receives units from one neighbor is not allowed to send any units to its other neighbor. If the chain consists of at least three nodes and demands across nodes are i.i.d., its performance turns out to be independent of the number of nodes. The optimal stocking is therefore solved analytically. Analytical comparative statics with respect to cost parameters and demand distributions are provided. We also examine thoroughly the cases of uniform demand distribution (analytically) and normal demand distribution (numerically). In the uniform case with free transshipment, a unidirectional chain can save up to 1/3 of the expected cost of separate newsvendors caused by uncertainty. For three nodes, the advantage of complete pooling over unidirectional chaining does not exceed 19%.     

Design of Copper Microfabricated Potentiometric Sensor for in-line Monitoring of Neostigmine Degradation Kinetics

The quality of pharmaceutical products is critical for human health. Drug development requires tools to assess the presence of degradation products and contaminants during the manufacturing and storage processes. Accelerated stress degradation and kinetic studies play a vital role in predicting final product stability. This work describes the design of potentiometric sensor based on copper microfabricated electrodes for in-line tracking the degradation kinetics of neostigmine. The proposed electrochemical technique provides a continuous profile for the hydrolysis of NEO under different temperatures and pH. The hydrolysis activation energy was found to be 18.88 kcal mol⁻¹ which was aligned with the reported hydrolysable ester values. Consequently, the kinetic data analysis is crucial to predict the optimum analysis and storage conditions.     

Synthesis,characterization and assessment of the cytotoxic activity of Cu(II), Fe(III) and Mn(III) complexes of camphoric acid‐derived salen ligands

Novel Cu(II), Fe(III) and Mn(III) salen‐type metal complexes from (1R,3S)‐N,N′‐bis[salicylidene]‐1,3‐diamino‐1,2,2‐trimethylcyclopentane were synthesized and screened for their in vitro cytotoxic activity against three human cancer cell lines: melanoma, colorectal and breast. In vitro experiments carried out with the three metal complexes show that the copper complex exhibits the highest cytotoxic activity towards all cell lines studied, presenting IC₅₀ values of 3.32–6.71 μM. A significant improvement in the anti‐proliferative effect, by 20‐fold, is observed with this complex when compared with conventional chemotherapy. The relationship between structure, redox characteristics and biological activity in human cancer cell lines was evaluated for the most efficient Cu(II) complex and associated with theoretical calculations. Copyright © 2015 John Wiley & Sons, Ltd.     

The Kepler problem spinor regularization and quantization on the manifolds S2

Summary In a previous research we have shown that the KS-transformation, developed by Kustaanheimo and Stiefel for the regularization of the Kepler problem, may be interpreted as the correspondence which associates to each null 4-vector of the space of Minkowski a one-index spinor, defined up to a phase factor, and we have obtained a new form of the KS-transformation. In the present research we show that this formulation allows a straight derivation of the Hopf fibering of the sphere S³ (characterized by unit spinors) having the base space given by the section (sphere S²) of the light cone, and we show that the KS-transformation allows the quantization of the symplectic manifold S² in the sense of Souriau. The sphere S³ turns out to be a contact quantized manifold. The bilinear relation characteristic of the KS-theory and the column vectors of the KS-matrix are intimately related to the contact structure.

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Sommario In un precedente lavoro si è mostrato che la trasformazione KS, introdotta da Kustaanheimo e Stiefel per regolarizzare il problema di Keplero, è riconducibile alla ben nota corrispondenza fra vettori del cono isotropo dello spazio di Minkowski e spinori semplici, definiti a meno della fase, e si è pervenuti ad una nuova formulazione della KS. Nel presente lavoro si mostra come da tale formulazione scaturisca in modo naturale la fibrazione di Hopf della sfera S³ (caratterizzata dagli spinori unitari) avente quale base una sezione (sfera S²) del cono isotropo e si mette in luce come la trasformazione KS consenta di effettuare la quantizzazione della varietà simplettica S² nel senso di Souriau e di ottenere la sfera S³ quale varietà quantica di contatto. La relazione bilineare caratteristica della teoria KS ed i vettori colonna della matrice KS risultano intimamente legati alla struttura di contatto.

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Presented at the VI Congresso Nazionale dell'Associazione Italiana di Meccanica Teorica ed Applicata (AIMETA), Genova, October 1982. Work performed under the auspices of G.N.F.M. of the C.N.R. (Consiglio Nazionale delle Ricerche).     

Invariant subgrid modelling in large-eddy simulation of heat convection turbulence

Symmetries have an important role in turbulence. To some extent, they contain the physics of the equations (conservation laws, etc.), and it is essential that turbulence models respect them. However, as observed by Oberlack (Annual Research Briefs. Stanford University, Stanford 1997) and next by Razafindralandy and Hamdouni (Direct and Large-Eddy Simulation 6: Proceedings of the 6th International ERCOFTAC Workshop on Direct and Large-Eddy Simulation. Springer, Heidelberg, 2006) in the case of an isothermal fluid, only few subgrid stress tensor models preserve the symmetries of the Navier–Stokes equations. In this communication, we present the symmetries of the equations of a non-isothermal fluid flow and analyze some common subgrid stress tensor and flux models under the point of view of these symmetries.      

Peptide Formation by Aminolysis of 1-Thio-β-D-glucopyranosyl Esters of N-Acylaminoacids

Abstract

The susceptibility of the fully acetylated 1-thio–β-D-glucopyranosyl esters of N-protected amino acids toward the amino group of an external amino acid-or peptide-ester was examined in dichloromethane at room temperature and at 40°, respectively. In each case, the aminolysis reaction led to rupture of the C-1 thiolester bond and formation of the corresponding N-acylpeptide ester; the reaction proceeded without racemization of the aglycon chiral centre. Evidence for a remarkably high acylating efficiency of the sugar—amino acid C-1 thiolester bond is presented.     

Development and use of an atomistic CHARMM‐based forcefield for peptoid simulation

Peptoids are positional isomers of peptides: peptoid sidechains are attached to backbone nitrogens rather than α‐carbons. Peptoids constitute a class of sequence‐specific polymers resistant to biological degradation and potentially as diverse, structurally and functionally, as proteins. While molecular simulation of proteins is commonplace, relatively few tools are available for peptoid simulation. Here, we present a first‐generation atomistic forcefield for peptoids. Our forcefield is based on the peptide forcefield CHARMM22, with key parameters tuned to match both experimental data and quantum mechanical calculations for two model peptoids (dimethylacetamide and a sarcosine dipeptoid). We used this forcefield to demonstrate that solvation of a dipeptoid substantially modifies the conformations it can access. We also simulated a crystal structure of a peptoid homotrimer, H‐(N‐2‐phenylethyl glycine)₃‐OH, and we show that experimentally observed structural and dynamical features of the crystal are accurately described by our forcefield. The forcefield presented here provides a starting point for future development of peptoid‐specific simulation methods within CHARMM. © 2013 Wiley Periodicals, Inc.