Electronic spectra of jet-cooled 1,4-bis(phenylethynyl)benzene: Strength in π-electron conjugation and two large-amplitude torsional motions.

To spectroscopically qualify strength in the π-electron conjugation, the electronic spectra of jet-cooled 1,4-bis(phenylethynyl)benzene (BPEB) in the region of the transition to the lowest excited singlet (S1) 1B1u state are measured by the fluorescence excitation and the single-vibronic-level dispersed fluorescence methods. Strength is defined as the difference in potential energies between the planar and perpendicular conformations. BPEB possesses two large-amplitude torsional motions, out-of-phase 24 and in-phase 29 modes. The most stable is the planar conformation, and barrier heights at the perpendicular conformation are coincident in torsional potentials for the two modes. Torsional levels are successively observed up to 19± and 16- quantum levels in the ground state, respectively. Strength is determined to be 293 cm-1 (3.51 kJmol-1) with an accuracy of an error range smaller than 1 cm-1. In the excited state, strength is estimated to be 1549 ± 73 cm-1. Combination levels of two torsional modes are also measured up to high quantum levels. A systematic decrease in frequencies is observed with increasing the quantum number. Quantum-chemistry calculations of B3LYP, CAM-B3PLYP, WB97XD, and M062X with basis sets of aug-cc-pVDZ are performed, where B3LYP theories are carried out with the dispersion correlation. The calculated strength is 1.1-2.1 times larger than observed.

Micro-fabricated Si subwavelength grating for frequency-domain THz beam steering covering the 0.3-0.5 THz frequency band.

We designed and fabricated beam steering subwavelength grating (BS-SWG) with high efficiency, wide angles, and broadband beam steering in the terahertz (THz) range. Beam steering technology in the THz range by a fixed structure and frequency sweep has to date lacked a device combining high efficiency and a wide beam steering angle. A subwavelength structure using float zone Si, a low-loss dielectric, could combine both of these aspects, but no experimental demonstration in the THz range has been performed to our knowledge. The BS-SWG was designed with an efficiency of 0.708 at 0.4 THz and beam steering angles of -72.1°--34.8° by sweeping the incident frequency from 0.3 THz to 0.5 THz including the Beyond 5 G/6 G communication bands. An efficiency of 0.354 at 0.400 THz and beam steering angles of -74°--34° were experimentally achieved, demonstrating the potential of high-efficiency, wide-angle beam steering for THz communications, imaging, and radar applications.

Characteristics of muscle contraction of the rectus femoris using tensiomyography by sex in healthy college students: a cross-sectional study.

Background: Tensiomyography (TMG) is a non-invasive instrument for measuring mechanical muscle contraction characteristics and measuring the maximum displacement of the muscle belly in the radial direction with respect to the muscle and the time needed to achieve this from electrical stimulation. There have been only been a reports of TMG in healthy adults. A systematic review of TMG reported a low proportion of female participants, with a small sample size. Therefore, it is unclear whether there is a difference in TMG parameters according to sex and between dominant and non-dominant feet. Furthermore, the relationship between TMG parameters and evaluations commonly used in clinical practice has not been clarified. This study aimed to clarify the characteristics of muscle contraction of the rectus femoris using TMG according to sex among healthy college students and its relationship with muscle function evaluation, such as lower limb muscle mass and muscle strength. Methods: This cross-sectional study included 91 healthy university students (18-24 years). Five tools were used: TMG, lower-limb muscle mass, rectus femoris thickness, isometric knee joint extension torque, and thigh circumference. Each parameter was compared by the generalized linear mixed model (GLMM) and Bonferroni's multiple comparison test, with sex as the without-subject factor and dominant/non-dominant foot as the within-subject factor. The correlation between the TMG parameters and other parameters was examined using Pearson's correlation coefficient for both males and females. Results: The results of the GLMM, in terms of the TMG parameters, an interaction was observed for maximum displacement (Dm); in the results of the multiple comparison test, Dm for the non-dominant leg was significantly lower in females than in males. A main effect and interaction were not observed for delay time (Td) and contraction time (Tc) by sex, dominant foot, or non-dominant foot. There was a main effect of sex on muscle function evaluation parameters (ρ ≤ 0.05). The correlation between TMG parameters for males and females and lower limb muscle mass, muscle thickness, joint torque, and thigh circumference were significantly correlated with some TMG parameters, lower limb muscle mass and muscle thickness (ρ ≤ 0.05). The absolute value of the correlation coefficient was low overall (0.20-0.38). Conclusion: In healthy college students, TMG parameters for the rectus femoris showed sex differences in Dm, and there was a weak correlation between TMG parameters and lower limb muscle mass. TMG parameter evaluation may indicate a different function compared to the traditional muscle function assessment used in clinical practice. When using the Dm of the TMG as an evaluation battery for the rectus femoris muscle, it is important to consider sex-related differences.

Electronic excitation spectra of jet-cooled phenyl isocyanate, m-tolyl isocyanate, and p-phenylene diisocyanate: Assignment of the cis and trans rotational isomers.

To assign cis and trans isomers of m-tolyl isocyanate (mTI) and p-phenylene diisocyanate (pPDI) in the electronic excitation transition, we measured the time-of-flight mass-selected resonant ionization spectra of jet-cooled phenyl isocyanate (PI), mTI, and pPDI in the region of the 275 nm first ππ* absorption system. In the excitation spectra of jet-cooled mTI and pPDI, cis- and trans-rotational isomers appeared as doublets. Isomers were assigned by analyzing the methyl-group internal rotation for mTI and by applying low-frequency bending vibrations to the mutual exclusion rule between the one- and two-photon spectra for pPDI. The electronic spectra of the three molecules observed in the jet were assigned to the transition to the first ππ* and third singlet excited states with the aid of time-dependent (TD)-B3LYP/aug-cc-pVDZ and TD-CAM-B3LYP/aug-cc-pVDZ calculations. The 0 - 0 band of PI was observed at 36 354 cm-1, those of the cis and trans isomers of mTI at 36 018 and 35 853 cm-1, respectively, and those of the cis and trans isomers of pPDI at 34 437 and 34 383 cm-1, respectively. All vibronic bands were diffuse, probably because of internal conversion to two singlet nπ* states. For mTI, based on changes in the barrier height of methyl-group internal rotation upon excitation, the Hammett-σm of PI was determined to be -0.12.

Investigation of Halcyon multi-leaf collimator model in Eclipse treatment planning system: A focus on the VMAT dose calculation with the Acuros XB algorithm.

PURPOSE: The dual-layer multi-leaf collimator (MLC) in Halcyon involves further complexities in the dose calculation process, because the leaf-tip transmission varies according to the leaf trailing pattern. For the volumetric modulated arc therapy (VMAT) treatment, the prescribed dose for the target volume can be sensitive to the leaf-tip transmission change. This report evaluates the dosimetric consequence due to the uncertainty of the dual-layer MLC model in Eclipse through the dose verifications for clinical VMAT. Additionally, the Halcyon leaf-tip model is empirically adjusted for the VMAT dose calculation with the Acuros XB. MATERIALS AND METHODS: For this evaluation, an in-house program that analyzes the leaf position in each layer was developed. Thirty-two clinical VMAT plans were edited into three leaf sequences: dual layer (original), proximal single layer, or distal single layer. All leaf sequences were verified using Delta4 according to the dose difference (DD) and the global gamma index (GI). To improve the VMAT dose calculation accuracy, the dosimetric leaf gap (DLG) was adjusted to minimize the DD in single-layer leaf sequences. RESULTS: The mean of DD were -1.35%, -1.20%, and -1.34% in the dual-layer, proximal single-layer, and distal single-layer leaf sequences, respectively. The changes in the mean of DD between leaf sequences were within 0.2%. However, the calculated doses differed from the measured doses by approximately 1% in all leaf sequences. The tuned DLG was increased by 0.8 mm from the original DLG in Eclipse. When the tuned DLG was used in the dose calculation, the mean of DD neared 0% and GI with a criterion of 2%/2 mm yielded a pass rate of more than 98%. CONCLUSION: No significant change was confirmed in the dose calculation accuracy between the leaf sequences. Therefore, it is suggested that the dosimetric consequence due to the leaf trailing was negligibly small in clinical VMAT plans. The DLG tuning for Halcyon can be useful for reducing the dose calculation uncertainties in Eclipse VMAT and required in the commissioning for Acuros XB.