nowadays nmr spectroscopy becomes a powerful tool in chemistry because of the nmr chemical shifts. hartree–fock theory and the gauge-including atomic orbital (giao) methods are used in the calculation of 29si nmr chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. calculations have been performed at geo...

This study explores chronotype-dependent tolerance to the demands of working morning, evening, and night shifts in terms of social jet lag, sleep duration, and sleep disturbance. A total of 238 shift-workers were chronotyped with the Munich ChronoType Questionnaire for shift-workers (MCTQ(Shift)), which collects information about shift-dependent sleep duration and sleep timing. Additionally, 94...

in many statistical process control applications, the quality of a process is characterized by a profile. a profile is a function in terms of one or more explanatory variables. in profile monitoring, one is interested to monitor the performance of a process or product using this functional relationship. control charts for monitoring nonparametric profiles are useful when the relationship is too...

Regime shifts have been reported in many marine ecosystems, and are often expressed as an abrupt change occurring in multiple physical and biological components of the system. In the Gulf of Alaska, a regime shift in the late 1970s was observed, indicated by an abrupt increase in sea surface temperature and major shifts in the catch of many fish species. A thorough understanding of the extent a...

Simultaneous production planning and scheduling has been identified as one of the most important factors that affect the efficient implementation of planning and scheduling operations for the production systems. In this paper, simultaneous production planning and scheduling is applied in a hybrid flow shop environment, which has numerous applications in real industrial settings. In this problem...

A combined computational and (13)C NMR study was used to investigate the formation of mixed aggregates of 1-methoxyallenyllithium and lithium chloride in tetrahydrofuran (THF) solution. The observed and calculated chemical shifts, as well as the calculated free energies of mixed aggregate formation (MP2/6-31+G(d)), are consistent with the formation of a mixed dimer as the major species in solut...

We have studied the micellization of surfactants SDS, CTAB and tweens-80 using a series of Ethylene glycol/water and formamide/water mixed solvents using surface tension, viscosity and conductance measurements. The results are compared with those reported in pure water for the same surfactants. The critical micelle concentration (cmc) shifts to lower values upon increasing the ratio of Ethylene...

Understanding complex or mixed emotions first requires an exploration of the human nervous system underlying emotions, and indeed all experience. We review current research in neuroscience, which describes the brain as a predictive, internal model of the world that flexibly combines features from past experience to construct emotions. We argue that "mixed emotions" result when these features of...

OBJECTIVE To quantify any relationship between emergency department (ED) overcrowding and 10-day patient mortality. DESIGN AND SETTING Retrospective stratified cohort analysis of three 48-week periods in a tertiary mixed ED in 2002-2004. Mean "occupancy" (a measure of overcrowding based on number of patients receiving treatment) was calculated for 8-hour shifts and for 12-week periods. The sh...