Eu@C86 isomers: Calculated relative populations

Abstract

Relative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C₈₆ are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?～?SDD entropy term, M06-2X/6-31G*～SDD or B2PLYP(D)/6-31G*～SDD energetics). The calculations confirm that the recently isolated Eu@C₁(7)-C₈₆ species is a major isomer in a relevant temperature region. Relationship to the empty C₈₆ cages is discussed, too.     

Cover Image,Volume 69, Issue 3

The cover image is based on the Mini‐Review Well‐defined, environment‐friendly synthesis of polypeptides based on phosgene‐free transformation of amino acids into urethane derivatives and their applications by Takeshi Endo et al., https://doi.org/10.1002/pi.5952 . Cover image © Takeshi Endo Images.

     

EFFECT OF DEVELOPER PROPERTIES ON PRINT QUALITY

We investigated the dependence of the toner charge-to-mass ratio (q/m) in a two-component electrophotographic developer on the shaking time, toner concentration (T/C), carrier sizes, and the carrier core and the coating materials, as well as the resulting print qualities in terms of print density, background density, tone reproduction, resolution, and dot gain. Four different sizes of spherical ferrite carriers, four different carrier coating materials, and an irregular iron carrier were used with two types of toner: 14 um red toner (NP-4080) and 8 um cyan toner (CLC-500). The q/m measurement by the blow-off method showed that the red toner charge was positive while the cyan toner charge was negative with these carriers. The toner q/m values, which depended on the shaking time and decreased with the increasing T/C were much more affected by the larger carrier and the smaller toner. The carriers which yielded charges in the proper range produced better print qualities than did the other carriers that yielded a toner q/m     

A method of identifying latent human errors in work systems

Work system improvements are implemented in various manufacturing processes to prevent problems caused by human errors. However, they are almost always applied to problems which have already occurred. This paper examines a method of identifying latent human errors existing within the work systems beforehand. A procedure for applying failure mode and effect analysis to this identification problem was defined based on over 1000 empirical errors: a work system decomposition criterion and fundamental error modes for listing latent human errors, and then applied to three practical manufacturing processes in order to evaluate its effectiveness.     

Alteration of GABAA receptor alpha 1-subunit mRNA in mouse brain following continuous ethanol inhalation

OBJECTIVE: To evaluate what nursing home medical directors actually do, what they and other nursing home personnel believe would be desirable to do, and what problems and deficiencies are perceived. DESIGN: Mail survey with follow-up telephone interview when necessary. SETTING: Forty-five nursing facilities in upstate New York. PARTICIPANTS: The medical directors, administrators, and directors of nursing of the 45 facilities. MEASUREMENTS: Inventory of what medical directors reported as to their actual activities and time spent, and of what they, the administrators, and the directors of nursing felt should be their responsibilities and activities under ideal circumstances. RESULTS: For part-time medical directors, self-reported time spent on medical directorship activities averaged 12 hours per month; of all directors, 45% spent 8 hours or less per month. Proportion of time spent on various specific activities varied widely. There was general agreement that substantially more time should be spent, in particular, on evaluating and addressing problems of adequacy and quality of care, communicating with attending physicians about problems, and assisting with inservice training programs. CONCLUSIONS: To fill the role adequately, more time should be spent by many part-time medical directors, which will require greater financial commitment by facilities and reimbursement systems. Efforts need to made to better coordinate the expectations of medical directors and facility staff.     

Efficiency of repeated batch penicillin fermentation using two fermentors. Computer simulation and optimisation

Repeated batch operation using two fermentors (RBTF) to penicillin fermentation was demonstrated by computer simulation to improve productivity. Three operation modes were compared: chemostat, repeated batch operation using a single fermentor (RBSF) and RBTF; in each case account was made of the lag period before growth. The simulated fermentor performances were assessed on the basis of the penicillin productivity and concentration; the simulation was based on published batch fermentation data. It was shown that RBTF was superior to RBSF and chemostat. The advantage of RBTF increased as the lag period became greater.     

An on-chip active decoupling circuit to suppress crosstalk in deep-submicron CMOS mixed-signal SoCs

A decoupling circuit using an operational amplifier is proposed to suppress substrate crosstalk in mixed-signal system-on-chip (SoC) devices. It overcomes the parasitic inductance problem of on-chip capacitor decoupling. The effect of the proposed decoupling circuit is not limited by parasitic fine impedance. A 0.13-/spl mu/m CMOS test chip showed that substrate noise at frequencies from 40 MHz to 1 GHz was incrementally suppressed by sequentially activating three of the proposed circuits in parallel. The power dissipation of each circuit was 3.3 mW at a 1.0-V power supply. The test chip measurement showed that the proposed decoupling reduced crosstalk by 31% at 200 MHz, whereas it was reduced by 4.4% with capacitor decoupling. This 7:1 ratio, or 17 dB, corresponds to the gain of the opamp. Design of the opamp and its feedback loop for active decoupling is simple, making the opamp useful for SoC applications.     

Characterization and electrochemical properties of CF4 plasma-treated boron-doped diamond surfaces

The effect of CF₄ plasma etching on diamond surfaces, with respect to treatment time, was investigated using scanning electron microscopy (SEM), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and electrochemical measurements. SEM observations and Raman spectra indicated an increase in surface roughening on a scale of 10–20 nm, and an increase in crystal defect density was apparent with treatment time in the range of 10 s to 30 min. In contrast, alteration of the diamond surface terminations from oxygen to fluorine was found to be rather rapid, with saturation of the F/C atomic ratio estimated from XPS analysis after treatment durations of 1 min and more. The redox kinetics of Fe(CN)₆^3−/4− was also found to be significantly modified after 10 s of CF₄ plasma treatment. This behavior shows that C–F terminations predominantly affect the redox kinetics compared to the effect on the surface roughness and crystal defects. The double-layer capacitance (C_dl) of the electrolyte/CF₄ plasma-treated boron-doped diamond interface was found to show a minimum value at 1 min of treatment. These results indicate that a short-duration CF₄ plasma treatment is effective for the fabrication of fluorine-terminated diamond surfaces without undesirable surface damage.     

A Nonvolatile Organic Memory Device Using ITO Surfaces Modified by Ag‐Nanodots

We report on a single‐layer organic memory device made of poly(N‐vinylcarbazole) embedded between an Al electrode and ITO modified with Ag nanodots (Ag‐NDs). Devices exhibit high ON/OFF switching ratios of 10⁴. This level of performance could be achieved by modifying the ITO electrodes with some Ag‐NDs that act as trapping sites, reducing the current in the OFF state. Temperature dependence of the electrical characteristics suggest that the current of the low‐resistance state can be attributed to Schottky charge tunnelling through low‐resistance pathways of Al particles in the polymer layer and that the high‐resistance state can be controlled by charge trapping by the Al particles and Ag‐NDs.