Rapid Ocular Responses Are Modulated by Bottom-up-Driven Auditory Salience.

Despite the prevalent use of alerting sounds in alarms and human-machine interface systems and the long-hypothesized role of the auditory system as the brain's "early warning system," we have only a rudimentary understanding of what determines auditory salience-the automatic attraction of attention by sound-and which brain mechanisms underlie this process. A major roadblock has been the lack of a robust, objective means of quantifying sound-driven attentional capture. Here we demonstrate that: (1) a reliable salience scale can be obtained from crowd-sourcing (N = 911), (2) acoustic roughness appears to be a driving feature behind this scaling, consistent with previous reports implicating roughness in the perceptual distinctiveness of sounds, and (3) crowd-sourced auditory salience correlates with objective autonomic measures. Specifically, we show that a salience ranking obtained from online raters correlated robustly with the superior colliculus-mediated ocular freezing response, microsaccadic inhibition (MSI), measured in naive, passively listening human participants (of either sex). More salient sounds evoked earlier and larger MSI, consistent with a faster orienting response. These results are consistent with the hypothesis that MSI reflects a general reorienting response that is evoked by potentially behaviorally important events regardless of their modality.SIGNIFICANCE STATEMENT Microsaccades are small, rapid, fixational eye movements that are measurable with sensitive eye-tracking equipment. We reveal a novel, robust link between microsaccade dynamics and the subjective salience of brief sounds (salience rankings obtained from a large number of participants in an online experiment): Within 300 ms of sound onset, the eyes of naive, passively listening participants demonstrate different microsaccade patterns as a function of the sound's crowd-sourced salience. These results position the superior colliculus (hypothesized to underlie microsaccade generation) as an important brain area to investigate in the context of a putative multimodal salience hub. They also demonstrate an objective means for quantifying auditory salience.

Relationship of postsaccadic oscillation with the state of the pupil inside the iris and with cognitive processing.

Recent studies using video-based eye tracking have presented accumulating evidence that postsaccadic oscillation defined in reference to the pupil center (PSOp) is larger than that to the iris center (PSOi). This indicates that the relative motion of the pupil reflects the viscoelasticity of the tissue of the iris. It is known that the pupil size controlled by the sphincter/dilator pupillae muscles reflects many aspects of cognition. A hypothesis derived from this fact is that cognitive tasks affect the properties of PSOp due to the change in the state of these muscles. To test this hypothesis, we conducted pro- and antisaccade tasks for human participants and adopted the recent physical model of PSO to evaluate the dynamic properties of PSOp/PSOi. The results showed the dependence of the elasticity coefficient of the PSOp on the antisaccade task, but this effect was not significant for the PSOi. This suggests that cognitive tasks such as antisaccade tasks affect elasticity of the muscle of the iris. We found that the trial-by-trial fluctuation in the presaccade absolute pupil size correlated with the elasticity coefficient of PSOp. We also found the task dependence of the viscosity coefficient and overshoot amount of PSOi, which probably reflects the dynamics of the entire eyeball movement. The difference in task dependence between PSOp and PSOi indicates that the separate measures of these two can be means to distinguish factors related to the oculomotor neural system from those related to the physiological states of the iris tissue.NEW & NOTEWORTHY The state of the eyeball varies dynamically moment by moment depending on underlying neural/cognitive processing. Combining simultaneous measurements of pupil-centric and iris-centric movements and a recent physical model of postsaccadic oscillation (PSO), we show that the pupil-centric PSO is sensitive to the type of saccade task, suggesting that the physical state of the iris muscles reflects the underlying cognitive processes.

Simulation of metal-organic framework self-assembly.

Spontaneous growth of metal-organic frameworks (MOFs) composed of metal ions and 4,4'-bipyridine ligands was successfully demonstrated by molecular dynamics simulations, starting from a random initial placement of the metals and the ligands. The effect of the metal-ligand binding strength upon the MOF self-assembly was investigated. We found that the metal-ligand binding strength should be within a window around the optimum values for the regular MOF growth.

Simulation of metal-ligand self-assembly into spherical complex M6L8.

Molecular dynamics simulations were performed to study the self-assembly of a spherical complex through metal-ligand coordination interactions. M(6)L(8), a nanosphere with six palladium ions and eight pyridine-capped tridentate ligands, was selected as a target system. We successfully observed the spontaneous formation of spherical shaped M(6)L(8) cages over the course of our simulations, starting from random initial placement of the metals and ligands. To simulate spontaneous coordination bond formations and breaks, the cationic dummy atom method was employed to model nonbonded metal-ligand interactions. A coarse-grained solvent model was used to fill the gap between the time scale of the supramolecular self-assembly and that accessible by common molecular dynamics simulation. The simulated formation process occurred in the distinct three-stage (assembly, evolution, fixation) process that is well correlated with the experimental results. We found that the difference of the lifetime (or the ligand exchange rate) between the smaller-sized incomplete clusters and the completed M(6)L(8) nanospheres is crucially important in their supramolecular self-assembly.

Pupillary fluctuation amplitude preceding target presentation is linked to the variable foreperiod effect on reaction time in Psychomotor Vigilance Tasks.

Understanding temporally attention fluctuations can benefit scientific knowledge and real-life applications. Temporal attention studies have typically used the reaction time (RT), which can be measured only after a target presentation, as an index of attention level. We have proposed the Micro-Pupillary Unrest Index (M-PUI) based on pupillary fluctuation amplitude to estimate RT before the target presentation. However, the kind of temporal attention effects that the M-PUI reflects remains unclear. We examined if the M-PUI shows two types of temporal attention effects initially reported for RTs in the variable foreperiod tasks: the variable foreperiod effect (FP effect) and the sequential effect (SE effect). The FP effect refers to a decrease in the RT due to an increase in the foreperiod of the current trial, whereas the SE effect refers to an increase in the RT in the early part of the foreperiod of the current trial due to an increase in the foreperiod of the previous trial. We used a simple reaction task with the medium-term variable foreperiods (Psychomotor Vigilance Task) and found that the M-PUI primarily reflects the FP effect. Inter-individual analyses showed that the FP effect on the M-PUI, unlike other eye movement indices, is correlated with the FP effect on RT. These results suggest that the M-PUI is a potentially powerful tool for investigating temporal attention fluctuations for a partly unpredictable target.

Toward rational design of complex nanostructured liquid crystals.

An analogy of block copolymer micro-segregation as a low-molecular weight nanostructured liquid crystal (LC) was tested with recently found columnar and cubic phase-forming LC molecules, to clarify the broader applicability of the analogy as a molecular design principle. We found that the copolymer analogy principle also works well for new micellar cubic phase-forming molecules. For bicontinuous cubic phase-forming 1,2-bis(4'-n-alkoxybenzoyl)hydrazines (BABH-n) compounds that cover a much broader core fraction range than that predicted by the copolymer analogy, we propose hierarchical preferential orientation as an additional mechanism for their cubic range broadening. For azo-dichiral molecules that also do not fit with the above principle, we propose chiral segregation as an alternative origin for their cubic phase formation.

Enhanced thin-film transistor driven high-aperture in-plane switching liquid crystal displays without common line and black matrix.

We developed active-matrix in-plane switching liquid crystal displays (IPS-LCDs) with a new vertical structure composed of thin-film transistors (TFTs) that have an aperture ratio of 60% to reduce energy consumption. The novel TFT has a channel and a back channel made of a hydrogenated amorphous-silicon semiconductor layer sandwiched by thin silicon oxide insulating layers. The transfer characteristics are enhanced by uniformly shifting the threshold voltage to be higher than the maximum LC driving voltage (typically > 5 V). The enhanced TFT characteristics provided with a new driving scheme and shielding electrodes enables both the common line and black matrix to be eliminated. We fabricated an IPS TFT-LCD panel with aperture and contrast ratios that are 160% those of the conventional pixel structure.

Pupillary fluctuation amplitude before target presentation reflects short-term vigilance level in Psychomotor Vigilance Tasks.

Our daily activities require vigilance. Therefore, it is useful to externally monitor and predict our vigilance level using a straightforward method. It is known that the vigilance level is linked to pupillary fluctuations via Locus Coeruleus and Norepinephrine (LC-NE) system. However, previous methods of estimating long-term vigilance require monitoring pupillary fluctuations at rest over a long period. We developed a method of predicting the short-term vigilance level by monitoring pupillary fluctuation for a shorter period consisting of several seconds. The LC activity also fluctuates at a timescale of seconds. Therefore, we hypothesized that the short-term vigilance level could be estimated using pupillary fluctuations in a short period and quantified their amplitude as the Micro-Pupillary Unrest Index (M-PUI). We found an intra-individual trial-by-trial positive correlation between Reaction Time (RT) reflecting the short-term vigilance level and M-PUI in the period immediately before the target onset in a Psychomotor Vigilance Task (PVT). This relationship was most evident when the fluctuation was smoothed by a Hanning window of approximately 50 to 100 ms (including cases of down-sampled data at 100 and 50 Hz), and M-PUI was calculated in the period up to one or two seconds before the target onset. These results suggest that M-PUI can monitor and predict fluctuating levels of vigilance. M-PUI is also useful for examining pupillary fluctuations in a short period for elucidating the psychophysiological mechanisms of short-term vigilance.

Novel chiral effect that produces the anisotropy in 3D structured soft material: chirality-driven cubic-tetragonal liquid crystal phase transition.

The effect of chirality on the liquid crystal organization has been systematically investigated between (S,S)- and (R,R)-isomers of a dichiral azobenzene compound. The racemic mixture was found to show the cubic phase (Im3m), indicating that the studied compound shows the cubic structure without the effect of chirality. However, with increasing optical purity of the racemic mixture, the cubic (Im3m) structure changes into the tetragonal phases (I422 and I4(1)22), which have been known as the SmQ phases, via a chiral cubic phase (I432). This is the first example of "chirality-driven" cubic-tetragonal structural change observed in liquid crystal systems, which is experimental evidence showing the novel type of chiral effect that produces the anisotropy in the structures of soft materials. The emergence of the anisotropy, i.e., the cubic-tetragonal phase transformation, is also induced by means of photoinduced phase transition of the SmQ phases based on cis-trans photoisomerization of the azobenzene compounds.

Consistent numerical evaluation of the anchoring energy of a grooved surface.

We evaluate the azimuthal anchoring energy of a grooved surface by calculating numerically the Frank elastic energy of a nematic cell composed of the grooved surface and a flat one with rigid azimuthal anchoring, where the director is fixed along the phi direction. We pay attention to the surface anchoring induced by elastic distortions of the director due to its contact with a nonflat surface, which impose local planar degenerate anchoring. Surface anchoring of this kind was analyzed analytically for shallow grooves by Berreman [Phys. Rev. Lett. 28, 1683 (1972)] and critically reexamined by the present authors [Phys. Rev. Lett. 98, 187803; 99, 139902(E) (2007)]. We consider two types of surface. one is a surface with one-dimensional sinusoidal parallel grooves, and the other is a surface with two-dimensional square patterns whose surface height is given by a sum of two sinusoidal functions with orthogonal wave vectors. The total energy is the sum of the anchoring energy and the twist energy in the bulk. For the calculation of the twist energy to be eliminated and the evaluation of the azimuthal-angle dependence of the anchoring energy, the "average" azimuthal angle at the bottom, phi(0), must be determined. We adopt two methods to determine phi(0). One is a simple extrapolation of the twist deformation in the bulk. The other relates phi(0) to the variation of the total Frank elastic energy with respect to phi. Our calculations indicate that both methods give essentially the same results, which indicates the consistency of those two methods. We also show that, for a surface with square patterns, the agreement between theory and numerical calculations is quite good even when the maximum of the surface slope is around 0.4, which theory assumes is much smaller than unity. When the surface slope is of order unity, the deviation of numerical results from theory crucially depends on the the surface elastic constant K24.

Rapid Brain Responses to Familiar vs. Unfamiliar Music - an EEG and Pupillometry study.

Human listeners exhibit marked sensitivity to familiar music, perhaps most readily revealed by popular "name that tune" games, in which listeners often succeed in recognizing a familiar song based on extremely brief presentation. In this work, we used electroencephalography (EEG) and pupillometry to reveal the temporal signatures of the brain processes that allow differentiation between a familiar, well liked, and unfamiliar piece of music. In contrast to previous work, which has quantified gradual changes in pupil diameter (the so-called "pupil dilation response"), here we focus on the occurrence of pupil dilation events. This approach is substantially more sensitive in the temporal domain and allowed us to tap early activity with the putative salience network. Participants (N = 10) passively listened to snippets (750 ms) of a familiar, personally relevant and, an acoustically matched, unfamiliar song, presented in random order. A group of control participants (N = 12), who were unfamiliar with all of the songs, was also tested. We reveal a rapid differentiation between snippets from familiar and unfamiliar songs: Pupil responses showed greater dilation rate to familiar music from 100-300 ms post-stimulus-onset, consistent with a faster activation of the autonomic salience network. Brain responses measured with EEG showed a later differentiation between familiar and unfamiliar music from 350 ms post onset. Remarkably, the cluster pattern identified in the EEG response is very similar to that commonly found in the classic old/new memory retrieval paradigms, suggesting that the recognition of brief, randomly presented, music snippets, draws on similar processes.

Molecular dynamics simulation study of the influence of chirality on the stability of the smectic Q liquid crystal phase.

The structure of smectic Q (SmQ) liquid crystal phase consisting of a dichiral molecule, called M7BBM7, was studied by submicrosecond molecular dynamics (MD) simulation. A detailed atomic model was used to study the stability of a model SmQ structure proposed by Levelut et al. (Levelut, A.-M.; Hallouin, E.; Bennemenn, D.; Heppke, G.; Lotzsch, D. J. Phys. II 1997, 7, 981) and its difference between (S,S)-, (S,R)-M7BBM7 and racemic mixture systems. Negative values of the fourth-rank orientational order parameter (), which characterize the model SmQ structure, were stably kept up to a 100 ns MD run only in the (S,S)-M7BBM7 system and lost in the other systems. The results correspond well to the marked chiral sensitivity in real systems where only the (S,S)-M7BBM7 system (among the three above-mentioned systems) shows the SmQ phase. Our simulation results imply that the asymmetric intramolecular potentials and resultant chirality-dependent molecular conformations are primarily responsible for keeping the negative values of and the model SmQ structure.

Anchoring of a nematic liquid crystal induced by surface grooves: a numerical study.

To examine the anchoring energy of a surface with one-dimensional grooves of sinusoidal shape, we carry out numerical calculation of the Frank elastic energy of a nematic cell composed of such a grooved surface and a flat surface. We evaluate the anchoring energy of the grooved surface by carefully eliminating the contribution from a uniform twist deformation in the bulk. When qA < or = 0.2 , with q and A being the wave number and the amplitude of the surface groove, we find that the azimuthal-angle dependence of the calculated anchoring energy agrees perfectly with our previous analytical result under the assumption of qA<< 1[Fukuda, Phys. Rev. Lett. 98, 187803 (2007); 99, 139902(E) (2007)]. Even when qA approximately 0.6 or 1, we observe an unexpectedly good agreement between the calculated and the analytical anchoring energies, indicating the wide applicability of the analytical anchoring energy in spite of the assumption of qA<<1 in its derivation.

Theory of anchoring on a two-dimensionally grooved surface.

We investigate analytically the anchoring of a nematic liquid crystal on a two-dimensionally grooved surface of arbitrary shape, induced by the elastic distortions of a liquid crystal adjacent to the surface. Our theoretical framework applied to a surface with square grooves reveals that such a surface can exhibit bistable anchoring, while a direct extension of a well-known theory of Berreman [Phys. Rev. Lett. 28, 1683 (1972)] results in no azimuthal anchoring in the so-called one-constant case (K1=K2=K3, with K1, K2, and K3 being the splay, twist, and bend elastic constants, respectively). We show under the assumption of K1=K2=K that the direction of the bistable easy axes and the anchoring strength crucially depend on the ratios K3/K and K24/K, where K24 is the saddle-splay surface elastic constant. To demonstrate the applicability of our theory to general cases and to elucidate the effect of surface shape and the elastic constants on the properties of surface anchoring, we also consider several specific cases of interest; one-dimensional grooves of arbitrary shape, rhombic grooves, and surfaces possessing 2N -fold symmetry, including hexagonal grooves, and show the following: (i) The rescaled anchoring energy f(phi)/f(pi/2) of one-dimensional grooves, with phi being the angle between the director n and the groove direction, is independent of the groove shape. (ii) Whether two diagonal axes of rhombic grooves can become easy axes depends sensitively on K3/K, K24/K and the angle alpha between the grooves. The angle alpha yielding the maximum anchoring strength for given groove pitch and amplitude depends again on K3/K and K24/K; in some cases alpha=0 (one-dimensional grooves), and in other cases alpha not equal 0, gives the maximum anchoring strength. Square grooves (alpha=pi/2) do not necessarily exhibit the largest anchoring strength. (iii) A surface possessing 2N -fold symmetry can yield N -stable azimuthal anchoring. However, when K1=K2=K3 and N>or=3, azimuthal anchoring is totally absent irrespective of the value of K24. The direction of the easy axes depends on K3/K, K24/K, and whether N is even or odd.

Pupillary dilation response reflects surprising moments in music.

There are indications that the pupillary dilation response (PDR) reflects surprising moments in an auditory sequence such as the appearance of a deviant noise against repetitively presented pure tones (4), and salient and loud sounds that are evaluated by human paricipants subjectively (12). In the current study, we further examined whether the reflection of PDR in auditory surprise can be accumulated and revealed in complex and yet structured auditory stimuli, i.e., music, and when the surprise is defined subjectively. Participants listened to 15 excerpts of music while their pupillary responses were recorded. In the surprise-rating session, participants rated how surprising an instance in the excerpt was, i.e., rich in variation versus monotonous, while they listened to it. In the passive-listening session, they listened to the same 15 excerpts again but were not involved in any task. The pupil diameter data obtained from both sessions were time-aligned to the rating data obtained from the surprise-rating session. Results showed that in both sessions, mean pupil diameter was larger at moments rated more surprising than unsurprising. The result suggests that the PDR reflects surprise in music automatically.

WITHDRAWN: Auditory Surprise Model Based on Pattern Retrieval from the Past Observation.

This article has been withdrawn: please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy). This article has been withdrawn at the request of the authors. The authors regrets that the reason for withdrawal is due to an disagreement in authorship and in scope of data disclosure. The authors apologize to the readers for this unfortunate error.

Numerical treatment of the dynamics of a conserved order parameter in the presence of walls.

We discuss how the diffusive dynamics of a conserved order parameter should be numerically treated when impenetrable wall surfaces are present and interact with the degrees of freedom characterized by the order parameter. We derive the discretization scheme for the dynamics, paying particular attention to the conservation of the order parameter in the strict numerical sense. The discretized chemical potential, or the functional derivative of the free energy, contains a surface contribution inversely proportional to the grid spacing Delta z, which was proposed heuristically in a recent paper of Henderson and Clarke [Macromol. Theory Simul. 14, 435 (2005)]. Although apparently that surface contribution diverges in the continuum limit Delta z --> 0, we can show, by an analytic argument and numerical calculations, that this divergence does not yield any anomalies, and that our discretization scheme is well defined in this limit. We also discuss the correspondence of our treatment to the model proposed by Puri and Binder [Phys. Rev. A 46, R4487 (1992)] extensively used for the present problem.

Correspondences among pupillary dilation response, subjective salience of sounds, and loudness.

A pupillary dilation response is known to be evoked by salient deviant or contrast auditory stimuli, but so far a direct link between it and subjective salience has been lacking. In two experiments, participants listened to various environmental sounds while their pupillary responses were recorded. In separate sessions, participants performed subjective pairwise-comparison tasks on the sounds with respect to their salience, loudness, vigorousness, preference, beauty, annoyance, and hardness. The pairwise-comparison data were converted to ratings on the Thurstone scale. The results showed a close link between subjective judgments of salience and loudness. The pupil dilated in response to the sound presentations, regardless of sound type. Most importantly, this pupillary dilation response to an auditory stimulus positively correlated with the subjective salience, as well as the loudness, of the sounds (Exp. 1). When the loudnesses of the sounds were identical, the pupil responses to each sound were similar and were not correlated with the subjective judgments of salience or loudness (Exp. 2). This finding was further confirmed by analyses based on individual stimulus pairs and participants. In Experiment 3, when salience and loudness were manipulated by systematically changing the sound pressure level and acoustic characteristics, the pupillary dilation response reflected the changes in both manipulated factors. A regression analysis showed a nearly perfect linear correlation between the pupillary dilation response and loudness. The overall results suggest that the pupillary dilation response reflects the subjective salience of sounds, which is defined, or is heavily influenced, by loudness.

Human Pupillary Dilation Response to Deviant Auditory Stimuli: Effects of Stimulus Properties and Voluntary Attention.

A unique sound that deviates from a repetitive background sound induces signature neural responses, such as mismatch negativity and novelty P3 response in electro-encephalography studies. Here we show that a deviant auditory stimulus induces a human pupillary dilation response (PDR) that is sensitive to the stimulus properties and irrespective whether attention is directed to the sounds or not. In an auditory oddball sequence, we used white noise and 2000-Hz tones as oddballs against repeated 1000-Hz tones. Participants' pupillary responses were recorded while they listened to the auditory oddball sequence. In Experiment 1, they were not involved in any task. Results show that pupils dilated to the noise oddballs for approximately 4 s, but no such PDR was found for the 2000-Hz tone oddballs. In Experiments 2, two types of visual oddballs were presented synchronously with the auditory oddballs. Participants discriminated the auditory or visual oddballs while trying to ignore stimuli from the other modality. The purpose of this manipulation was to direct attention to or away from the auditory sequence. In Experiment 3, the visual oddballs and the auditory oddballs were always presented asynchronously to prevent residuals of attention on to-be-ignored oddballs due to the concurrence with the attended oddballs. Results show that pupils dilated to both the noise and 2000-Hz tone oddballs in all conditions. Most importantly, PDRs to noise were larger than those to the 2000-Hz tone oddballs regardless of the attention condition in both experiments. The overall results suggest that the stimulus-dependent factor of the PDR appears to be independent of attention.

Evidence for charge-trapping inducing polymorphic structural-phase transition in pentacene.

Trapped-charge-induced transformation of pentacene polymorphs is observed by using in situ Raman spectroscopy and molecular dynamics simulations reveal that the charge should be localized in pentacene molecules at the interface with static intermolecular disorder along the long axis. Quantum chemical calculations of the intermolecular transfer integrals suggest the disorder to be large enough to induce Anderson-type localization.