Exploring the local solvation structure of redox molecules in a mixed solvent for increasing the Seebeck coefficient of thermocells.

A thermocell is an emerging alternative to thermoelectric devices and exhibits a high Seebeck coefficient () due to the large change of solvation entropy associated with redox reactions. Here, the of -chloranil radicals/dianions (CA˙) in acetonitrile was drastically increased from -1.3 to -2.

Localization of nuclear wave functions of lithium in [Li@C]PF: molecular insights into two-site disorder-order transition.

Lithium endohedral fullerene, Li@C, is a porous system ideal for studying the quantized translational motion of the Li nucleus under subnanoscale confinement. The quantized nuclear motion strongly depends on the anharmonic and polarizable adsorbent potential within the C cage, which can be perturbed by cage distortion and/or exterior ions. In our recent paper, H.

Effect of Static Jahn-Teller Distortion on the Li Transport in a Copper Hexacyanoferrate Framework.

Prussian blue (PB) and its analogues (PBAs) are potential cathode-active materials for rechargeable lithium-ion batteries. Although a body of research has assessed the performances of various PB/PBA cathodes with an eye to practical use, the underlying Li-transport mechanism is still unclear. Focusing on copper hexacyanoferrate (CuHCF), a PBA that exhibits static Jahn-Teller (JT) distortion, we theoretically investigate how the framework's distortion affects the pathways and energetics of the Li transport.

Spectral noise reduction and temporal coherence control using a phase unsynchronized wave synthesizing method.

Highly accurate spectrometry requires spectral noise reduction. In this paper, we propose a phase unsynchronized wave synthesizing (PuwS) method that provides different optical path lengths for different wave elements obtained from the division of a wavefront and synthesizes the respective wave elements to have the same propagation direction. PuwS achieves spectral noise reduction and contributes to temporal coherence control.

Quantum states of the endohedral fullerene Li@C surrounded by anions: energy decomposition analysis of nuclear wave functions.

Lithium is the lightest metal element. To date, little is known about its quantized nuclear motion in nanoscale porous structures. Endohedral fullerene Li+@C60 is an ideal porous system for studying such a quantized motion.

Initial treatment of seizures in children in an emergency department in rural Japan.

Objective: Although the initial treatment of childhood seizures is important, treatment within an appropriate time window is often difficult in resource-limited areas. This study examined childhood seizure treatment in a rural area in Japan.

Methods: We retrospectively investigated children presenting to Nakatsugawa Municipal General Hospital emergency department between 2015 and 2018.

Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy.

Attosecond X-ray pulses are short enough to capture snapshots of molecules undergoing nonadiabatic electron and nuclear dynamics at conical intersections (CoIns). We show that a stimulated Raman probe induced by a combination of an attosecond and a femtosecond pulse has a unique temporal and spectral resolution for probing the nonadiabatic dynamics and detecting the ultrafast (∼4.5 fs) passage through a CoIn.

Stochastic Liouville equations for femtosecond stimulated Raman spectroscopy.

Electron and vibrational dynamics of molecules are commonly studied by subjecting them to two interactions with a fast actinic pulse that prepares them in a nonstationary state and after a variable delay period T, probing them with a Raman process induced by a combination of a broadband and a narrowband pulse. This technique, known as femtosecond stimulated Raman spectroscopy (FSRS), can effectively probe time resolved vibrational resonances. We show how FSRS signals can be modeled and interpreted using the stochastic Liouville equations (SLE), originally developed for NMR lineshapes.

Femtosecond stimulated Raman spectroscopy of the cyclobutane thymine dimer repair mechanism: a computational study.

Cyclobutane thymine dimer, one of the major lesions in DNA formed by exposure to UV sunlight, is repaired in a photoreactivation process, which is essential to maintain life. The molecular mechanism of the central step, i.e.

A switchable molecular rotator: neutron spectroscopy study on a polymeric spin-crossover compound.

A quasielastic neutron scattering and solid-state (2)H NMR spectroscopy study of the polymeric spin-crossover compound {Fe(pyrazine)[Pt(CN)(4)]} shows that the switching of the rotation of a molecular fragment--the pyrazine ligand--occurs in association with the change of spin state. The rotation switching was examined on a wide time scale (10(-13)-10(-3) s) by both techniques, which clearly demonstrated the combination between molecular rotation and spin-crossover transition under external stimuli (temperature and chemical). The pyrazine rings are seen to perform a 4-fold jump motion about the coordinating nitrogen axis in the high-spin state.

Comparison of electronic structures and light-induced excited spin state trapping between [Fe(2-picolylamine)(3)](2+) and its iron(III) analogue.

We investigated mer- and fac-[Fe(II)(2-pic)(3)](2+) (pic = picolylamine) and Fe(iii) analogue, mer-[Fe(III)(2-pic)(3)](3+), by the DFT method to clarify the mechanism of light-induced excited spin state trapping (LIESST). In mer-[Fe(II)(2-pic)(3)](2+), the potential energy surface (PES) of the triplet state is the least stable but it is close to the PESs of the singlet and quintet states at the equilibrium geometry of the triplet state within 5 kcal mol(-1). This indicates that intersystem crossing occurs from the triplet state to either the singlet state or the quintet state around the equilibrium geometry of the triplet state.

Repetitive breath-hold diving causes serious brain injury.

We report on a Japanese male professional breath-hold diver (Ama) who developed neurological disorders during repetitive dives to 22 meters of sea water. Each diving duration and surface interval were 40-80 seconds and 20-30 seconds, respectively. He suffered from sensory numbness of the right cheek, hand and foot, and double vision after more than two hours of consecutive dives.

Effect of short-term exposure to whole body vibration in humans: relationship between wakefulness level and vibration frequencies.

The purpose of this study was to clarify the influence of different vibration frequencies on wakefulness level. Subjects were 7 healthy male university students aged 21.9+/-1.

Bidirectional chemo-switching of spin state in a microporous framework.

The ins and outs of spin: Using the microporous coordination polymer {Fe(pz)[Pt(CN)(4)]} (1, pz=pyrazine), incorporating spin-crossover subunits, two-directional magnetic chemo-switching is achieved at room temperature. In situ magnetic measurements following guest vapor injection show that most guest molecules transform 1 from the low-spin (LS) state to the high-spin (HS) state, whereas CS(2) uniquely causes the reverse HS-to-LS transition.

Theoretical study of low-spin, high-spin, and intermediate-spin states of [Fe(III)(pap)2](+) (pap = N-2-pyridylmethylidene-2-hydroxyphenylaminato). Mechanism of light-induced excited spin state trapping.

The mechanism of light-induced excited spin state trapping (LIESST) of [FeIII(pap)2]+ (pap = N-2-pyridylmethylidene-2-hydroxyphenylaminato) was discussed on the basis of potential energy surfaces (PESs) of several important spin states, where the PESs were evaluated with the DFT(B3LYP) method. The PES of the quartet spin state crosses those of the doublet and sextet spin states around its minimum. This means that the spin transition occurs from the quartet spin state to either the doublet spin state or the sextet spin state around the PES minimum of the quartet spin state.

Effects of short-term exposure to whole-body vibration on wakefulness level.

To investigate the relationships between whole-body vibration and changes in wakefulness, We measured the change of a subjective wakefulness level and electroencephalogram (EEG). Subjects are ten healthy male university students. The subjects were exposed to whole-body vibration with frequency (10 Hz) and acceleration level (0.

Significance of finger coldness in hand-arm vibration syndrome.

Objectives: To evaluate the relationship between subjective symptoms of coldness in fingers and peripheral circulation in patients with hand-arm vibration syndrome (HAVS).

Methods: Thirty-five male patients confirmed to have HAVS as an occupational disease took part in this study. Their mean age was 62 years (SD 5) and all were chain-saw operators exposed to vibration for an average of 25 years.

Effect of impulse vibration on red blood cells in vitro.

Objectives: This study was carried out to evaluate the damage induced in red blood cells by exposure to impulse vibration.

Methods: The peak accelerations of impulse vibration included 50, 100, 200, 250 and 300 x 10(3) km/s2. A blood sample was put in a container filled with heparin so that there was no space inside.

Dependence of palmar sweating response and central nervous system activity on the frequency of whole-body vibration.

Objectives: This study was carried out to determine the effects of the frequency of whole-body vibration on palmar sweating response and the activity of the central sympathetic nervous system.

Methods: Palmar sweating volume was measured on the right palm of six healthy men before and during 3 minutes of exposure to sinusoidal whole-body vibration at three different frequencies (16, 31.5, and 63 Hz).

Immune responses (CD4 and CD8) to acute vibration stress.

The aim of the experiments was to observe whether or not there is an immune system reaction to vibration stress. Three vibration frequencies were randomly given to 6 male volunteers. The 63 Hz vibration frequency produced a significant decrease in the ratio of CD4 T-cell to CD8 T-cell.

Frequency dependence of hand-arm vibration on palmar sweating response.

Objectives: This study attempted to elucidate the effects of hand-arm vibration frequency on palmar sweating response.

Methods: Palmar sweating was measured before and during vibration exposure on the right palm of six healthy men. The left hand was exposed for 3 minutes to the following root mean square (rms) acceleration magnitudes and frequencies of vibration: 5 m/s2 at 31.

Effect of cold ambient temperature on palmar sweating response to vibration stress.

We investigated the effect of cold ambient temperature on the palmar sweating response to vibration stress. Ten healthy, male subjects were exposed to eight ambient temperatures (5, 7, 10, 14, 18, 22, 24 and 28 degrees C). At each ambient temperature, each subject gripped the handle of a vibration generator with his left hand with a grasp strength of 49 N.