Neutral State Research Articles

Experimental evaluations of Berkeley thermal sensation and comfort models in electric vehicle cabin under cold outdoor conditions

As the automobile industry is transitioning toward electric vehicles, manufacturers have started implementing local warmers alongside cabin heating, ventilation, and air conditioning (HVAC) systems for effective thermal comfort management. However, optimal operating strategies need to be developed for integrating local warmers with HVAC systems. Although the Berkeley models comprising local/overall thermal sensation and comfort models offer insights in this regard, they lack follow-up assessments for occupants transitioning from very cold states. In this study, Berkeley models were evaluated using two sets of experimental data collected in a transient vehicle cabin under cold outdoor conditions: test (A) with cabin HVAC alone and test (B) with both HVAC and local warmers. The findings confirm the satisfactory performances of the Berkeley models for predicting overall sensation and comfort, with a maximum root mean-squared error (RMSE) of 0.15. The local comfort model performed poorly with the original coefficients across both datasets (maximum RMSE of 1.96). Therefore, the model coefficients were regressed for the dataset from test A and validated against the dataset from test B to achieve a maximum RMSE of 0.49. With these regressed coefficients, it was observed that moving toward a neutral overall state diminished the potential to maximize local comfort. Conversely, the local sensation model showed poor agreement (maximum RMSE of 1.9); we confirmed that accurate adaptive setpoint temperatures are a prerequisite for ensuring good predictions from the model. These findings are expected to contribute toward future efforts in using Berkeley models to formulate effective local warmer–HVAC operational strategies in electric vehicles.

Temporary Anions of Benzoxazole in Charge-Transfer Cluster Photodetachment.

The photoelectron spectra of cluster anions of superoxide (O2-) solvated by one molecule of benzoxazole (BzOx) reveal two competing photodetachment mechanisms: a direct photoemission from the solvated cluster core and an indirect pathway involving temporary anion states of benzoxazole accessed via the O2-·BzOx → O2·BzOx- charge-transfer transitions. Benzoxazole is a bicyclic unsaturated organic molecule that does not form permanent anions. However, its low-lying vacant π* orbitals permit a resonant capture of the electron emitted from the O2- cluster core. The non-Hermitian theory using a complex absorbing potential predicts the existence of two BzOx- π* resonances within the experimental energy range: resonance A (π1*) at 0.891 eV and resonance B (π2*) at 1.76 eV, relative to the onset of the BzOx + e- continuum at the ground-state geometry of neutral BzOx. Within the clusters, the O2·BzOx- charge-transfer states are partially stabilized relative to the free-electron limit by interactions with the O2 molecule. These interactions depend on the electronic states of both species. The theory predicts that at the O2-·BzOx cluster geometry, the O2(X3Σg-)·BzOx-(A) and O2(a1Δg)·BzOx-(A) states lie at 0.56 and 0.47 eV (vertically) above the respective neutral states. The O2(3Σg-)·BzOx-(B) resonance is found 1.43 eV (vertically) above O2(X3Σg-)·BzOx. Intense signatures of both BzOx- resonances and the three above-mentioned charge-transfer cluster states, O2(X3Σg-)·BzOx-(A), O2(a1Δg)·BzOx-(A), and O2(3Σg-)·BzOx-(B) are observed in the 355 nm (3.495 eV) and 532 nm (2.330 eV) photoelectron spectra of the O2-·BzOx cluster anion.

Effects of fluorine atom numbers on electrochromic properties of the benzothiadiazole-based D-A polymers

In this work, two fluorinated D-π-A-π-D type monomers, F-EDOT and FF-EDOT, were facilely synthesized by donor-acceptor-donor method via Stille coupling reaction, with monofluorinated benzothiadiazole and difluorinated benzothiadiazole as the acceptor units and 3,4-ethylenedioxythiophene (EDOT) as the donor units. The electrochemical polymerization behavior of the fluorinated monomers, electrochemical and electrochromic properties of the corresponding fluorinated D-A polymers were compared to study the effects of different fluorine atom numbers on the optoelectronic properties of the monomers and their resultant D-A polymers. The results show that the introduction of more F atoms into the conjugated backbone increases the oxidation potential of monomers, both of them have low initial oxidation potential (0.65 V/0.70 V). As in the case of monomers, the substitution of more F atoms also leads to the decreased HOMO energy level of the polymers, thus leading to the increased band gap energy of P(FF-EDOT) (1.39 eV). This result can be attributed to the deviation of planarity and the reduced effective conjugate length. As prepared fluorinated D-A polymers also have good adhesion on the electrode surface, favorable redox activity, and outstanding redox stability (the redox activity of P(F-EDOT) remains 99 % after 1000 cycles). At the same time, the fluorinated D-A polymers also show distinguish electrochromic properties under various external potentials; both the optical contrast and coloration efficiency decreased with the increase of F atom numbers, and the corresponding response time increased. As a result, both the fluorinated D-A polymers show light green in the neutral state, P(F-EDOT) shows more obvious electrochromic performance in the near infrared region (optical contrast: 35.02 %, coloration efficiency: 159.94 cm2 C−1, and quick response time: 0.2 s), accompanied with excellent discoloration stability and optical memory effect. The study of novel fluorinated-based electrochromic materials further expands the selection of acceptor units and the application prospect of electrochromic materials.

Temperature dependence of the AB lines and optical properties of the carbon–antisite-vacancy pair in 4H−SiC

Defects in semiconductors have in recent years been revealed to have interesting properties in the venture towards quantum technologies. In this regard, silicon carbide has shown great promise as a host for quantum defects. In particular, the ultrabright AB photoluminescence lines in 4H−SiC are observable at room temperature and have been proposed as a single-photon quantum emitter. These lines have previously been studied and assigned to the carbon–antisite-vacancy (CAV) pair. In this paper, we report on new measurements of the AB lines’ temperature dependence, and carry out an in-depth computational study on the optical properties of the CAV defect. We find that the CAV defect has the potential to exhibit several different zero-phonon luminescences with emissions in the near-infrared telecom band, in its neutral and positive charge states. However, our measurements show that the AB lines only consist of three nonthermally activated lines instead of the previously reported four lines; meanwhile, our calculations on the CAV defect are unable to find optical transitions in full agreement with the AB-line assignment. In light of our results, the identification of AB lines and the associated room-temperature emission require further study. Published by the American Physical Society 2024

Electrochemical and Optical Properties of D-A-A-A-D Azomethine Triad and Its NIR-Active Polymer.

The azomethine TPA-(BTZ)3-TPA with a donor-acceptor-acceptor-acceptor-donor structure has been synthesized and characterized. Azomethine TPA-(BTZ)3-TPA exhibited luminescence properties and a positive solvatochromic effect. Electropolymerization on terminated triphenylamine groups was used to obtain a thin layer of the polyazomethine poly-[TPA-(BTZ)3-TPA]. Further investigation of oxidation/reduction properties of poly-[TPA-(BTZ)3-TPA] via cyclic voltammetry showed that the polymer undergoes two reversible oxidation/reduction processes due to the presence of tetraphenylbenzidine moieties. Electrochromic properties of the polyazomethine poly-[TPA-(BTZ)3-TPA] were investigated via spectroelectrochemistry. It was observed that the polymer in its neutral state is orange, and the color changes to green upon electro-oxidation. The stability of the polymer during multiple oxidation/reduction cycles, response times, and coloration efficiency were also investigated.

Concept and Varieties of Illiberalism

This article discusses various conceptualizations of illiberalism and adopts a definition that equates the concept with the negation of three liberal democratic principles: limited power, a neutral state, and an open society. The second part of the article explores the implications of this definitional strategy for empirical research, describes the relationship between populism, authoritarianism, and illiberalism, and identifies nine distinct routes to illiberalism: authoritarian, traditionalist, religious, libertarian, nativist-nationalist, populist, paternalist, materialist-technocratic, and left-wing.

Interannual ENSO diversity, transitions, and projected changes in observations and climate models

Abstract Diverse characteristics of El Niño Southern Oscillation (ENSO) events challenge the traditional view of tropical coupled ocean-atmosphere systems. The probability of a transition from one type of event to another is influenced by multiple factors of which many are projected to change. Here we assess the likelihood of ENSO transitions in observations and climate models, including a distinction between events that peak in the Eastern Pacific (EP) and Central Pacific (CP). We find that the initial ENSO state influences the likelihood of certain transitions and that some transitions are not physically possible or stochastically likely. For example, transitions to CP events are more likely than EP events except from a neutral state. We also find that El Niños tend to occur as singular events compared to La Niñas. While consecutive El Niño and La Niña events of EP type are possible, opposing EP events do not occur in succession. We identify several transitions likely driven by internal dynamical processes including neutral conditions to El Niño, CP El Niño to another El Niño, EP El Niño to CP La Niña, CP La Niña to CP El Niño and La Niña, and EP La Niña to neutral and CP El Niño. Projections of future transitions show an increased probability of transitions to CP El Niño events while transitions to EP La Niña events become less frequent under a high-emissions scenario. Accordingly, transitions to these events become more and less likely, respectively. We also find changes in the likelihood of specific transitions in a warming world: consecutive CP El Niño events become more likely while EP El Niño events become less likely to transition into CP La Niña events. These changes are expected to occur as early as 2050 with some changes to be accelerated by the end of the 21st century.

Investigation of pH-dependent Paclitaxel delivery mechanism employing Chitosan-Eudragit bioresponsive nanocarriers: a molecular dynamics simulation

Before embarking on any experimental research endeavor, it is advisable to do a mathematical computation and thoroughly examine the methodology. Despite the use of polymeric nanocarriers, the regulation of bioavailability and drug release at the disease site remains insufficient. Several effective methods have been devised to address this issue, including the creation of polymeric nanocarriers that can react to stimuli such as redox potential, temperature, pH, and light. The present study has been utilized all-atom molecular dynamics (AA-MD) and coarse-grained molecular dynamics (CG-MD) methods and illustrated the drug release mechanism, which is influenced by pH, for Chitosan-Eudragit bioresponsive nanocarriers. The aim of current work is to study the molecular mechanism and atomistic interactions of PAX delivery using a Chitosan-Eudragit carrier. The ability of Eudragit polymers to dissolve in various organic solvents employed in the process of solvent evaporation is a crucial benefit in enhancing the solubility of pharmaceuticals. This study investigated the use of Chitosan-Eudragit nanocarriers for delivering an anti-tumor drug, namely Paclitaxel (PAX). Upon analyzing several significant factors affecting the stability of the drug and nanocarrier, it has been shown that the level of stability is more significant in the neutral state than the acidic state. Furthermore, the system exhibits higher stability in the neutral state. The used Chitosan-Eudragit nanocarriers exhibit a stable structure under alkaline conditions, but undergo deformation and release their payloads under acidic conditions. It was demonstrated that the in silico analysis of anti-tumor drugs and carriers’ integration could be quantified and validated by experimental results (from previous works) at an acceptable level.Graphical abstract

Photoionization of aziridine: Nonadiabatic dynamics of the first six low-lying electronic states of the aziridine radical cation.

In this article, the theoretical photoionization spectroscopy of the aziridine (C2H5N) molecule is investigated. To start with, we have optimized the geometry of this molecule at the neutral electronic ground state at the density functional theory/augmented correlation-consistent polarized valence triple zeta level of theory using the G09 program. The electronic structure calculations were restricted to the first six low-lying electronic states in order to account for the experimental photoelectron spectrum of the C2H5N molecule. The first six low-lying electronic states (X̃2A', Ã2A', B̃2A″, C̃2A″, D̃2A', and Ẽ2A') of the potential energy surfaces (PESs) are calculated by both equation of motion-ionization potential-coupled cluster singles and doubles and multi-configuration quasi-degenerate perturbation theory abinitio quantum chemistry methods along the dimensionless normal displacement coordinates in which multiple conical intersections were established among the considered electronic states. A (6 × 6) model vibronic Hamiltonian is constructed on a diabatic electronic basis, using the symmetry selection rules and Taylor series expansion. The Cs symmetry point group of the aziridine molecule leads to electronic states symmetry of either A' or A″, and these states are close in energy, due to which the same symmetry electronic states avoid each other. To get a smooth diabatic PES, a fourfold diabatization scheme is used, which is implemented in the General Atomic and Molecular Electronic Structure Systems suite of programs. All the parameters used in the diabatic vibronic coupling model Hamiltonian are calculated in terms of the normal modes of vibrational coordinates. Finally, the vibronic model Hamiltonian constructed for the coupled six electronic states is used to solve both time-independent and time-dependent Schrödinger equations using the multi-configuration time-dependent Hartree program module to obtain the dynamical observables. The theoretical vibronic band structure is found to be in good accord with the available experimental results.

Optimization, molecular dynamics and quantum parameters simulations of Zingiber officinale rhizome as a green corrosion inhibitor

This study combines experimental and theoretical approaches to investigate ginger root extract (GRE) as an eco-friendly corrosion inhibitor for mild steel in acidic environments at temperatures ranging from 303 to 333 K. Experimental techniques, including weight loss measurements, were used to assess the inhibiting performance and adsorption behavior of GRE, while GC-MS, FT-IR, and UV–visible spectrophotometric methods provided further characterization. Results indicated that the inhibition efficiency of GRE increased with higher concentrations and decreased with temperature, highlighting its potential to effectively prevent corrosion in H2SO4 medium. GC-MS analysis identified four major phenolic compounds—6-gingerol, 6-isoshogaol, zingerone, and vanillyl glycol—and two secondary metabolites, α-Farnesene and β-Bisabolene. Among these, 6-gingerol, the most active and abundant constituent, was selected for computational studies. Optimal corrosion inhibition of 81.3 % was achieved at 303 K with a GRE concentration of 10 g/L for 1 h. Thermodynamic activation parameters suggested a temperature-dependent process, and alignment with the Langmuir isotherm indicated a physical adsorption mechanism. Quantum chemical calculations for 6-gingerol revealed highest occupied molecular orbital energy (EHOMO) and lowest unoccupied molecular orbital energy (ELUMO) values of -6.286 eV and -0.366 eV, respectively, in its protonated state, and -8.338 eV and -0.247 eV, respectively, in its neutral state. Molecular simulations showed a binding affinity of -4.736 kJ/mol between 6-gingerol and the steel surface, supporting the experimental findings and underscoring the potential of GRE as an effective corrosion inhibitor.

Construction of diverse adaptive camouflage nets based on soluble yellow-to-green switching electrochromic materials

The potential application of electrochromic (EC) materials and devices as adaptive camouflage in diverse environments requires further investigation. In this study, we aimed to enhance the camouflage effect of electrochromic devices (ECDs) by developing innovative EC camouflage nets. Three soluble EC materials (FTP, FEP and FBP) were synthesized by incorporating phenothiazine and ProDOT with different donors through direct(hetero) arylation polymerization. Due to the fine-tuning of the energy gap, the three materials exhibit yellow, yellowish-brown and reddish-brown colors in their neutral states, respectively. Particularly, FTP and FEP can switch between different yellow-to-green with superior EC performance. Furthermore, FTP-PEDOT and FEP-PEDOT ECDs were constructed. Notably, the FEP-PEDOT ECD demonstrated enhanced EC performance, characterized by a more noticeable yellow-to-green switch, faster switching times and improved cycle stability. To meet the adaptability for multi-environmental camouflage and wearable applications, we created diverse camouflage patterns using the mask-spray technique and developed three types (“stripe”/ “cross stripe”/ “block”) camouflage net ECDs. This study offers a comprehensive approach for developing adaptive camouflage nets tailored to diverse real combat settings.

Origin of Efficient and Tunable Dual‐Band Emission From Zinc Chalcogenide Quantum Dots for Sustainable Photonics

AbstractImpurity‐induced optical modulation in quantum‐confined colloidal nanocrystals has attracted intense interest thanks to the unique fundamental photo‐physics and application prospects. However, the present doping strategy is still facing limitations including spectral tunability and impurity controllability. Herein, a new route toward the tunable and efficient dual‐band emission in chlorine‐doped ZnSe (ZnSe:Cl) eco‐friendly quantum dots (QDs) is provided. Corroborated by the comprehensive spectroscopic characterization and first‐principles calculations, the emerging broadband sub‐gap emission is disclosed to originate from the self‐activating center constituted by a fusion of a Cl‐substituted Se point defect and a nearby Zn vacancy (ClSe‐VZn pair). First‐principles calculations confirm that the optically active center state stems from the distorted electron states of Se atoms surrounding the impurity rather than the Cl electron orbitals, which results in robust sub‐gap emission at ambient conditions. A dynamic model involving the transition between the charge and neutral states of the self‐activated center is established. By virtue of the controllable dual‐emission states, the transparent information encryption and the single‐component white light‐emitting diodes are realized, demonstrating the promising potential in sustainable photonic applications.

Dissociative recombination of rotationally cold ArH+

We have experimentally studied dissociative recombination (DR) of electronically and vibrationally relaxed ArH+ in its lowest rotational levels, using an electron-ion merged-beams setup at the Cryogenic Storage Ring. We report measurements for the merged-beams rate coefficient of ArH+ and compare it to published experimental and theoretical results. In addition, by measuring the kinetic energy released to the DR fragments, we have determined the internal state of the DR products after dissociation. At low collision energies, we find that the atomic products are in their respective ground states, which are only accessible via nonadiabatic couplings to neutral Rydberg states. Published theoretical results for ArH+ have not included this DR pathway. From our measurements, we have also derived a kinetic temperature rate coefficient for use in astrochemical models. Published by the American Physical Society 2024

High-contrast electrochromic coatings and devices for health assurance, visual comfort and energy-saving in buildings

High-contrast electrochromic coatings and devices reduce the ultraviolet-radiation from sunlight, ensure human health and visual comfort, save the electricity consumption of the heater in winter, and save electricity consumption of air conditioners in summer. Anodically coloring polymer coatings (P(CDBP), P(CDBP-co-BTPH), P(CDBP-co-TFU), P(CDBP-co-CDT) and P(CDBP-co-CDTK)) based on 4,4′-bis(carbazol-9-yl)-2,2′-dimethylbiphenyl (CDBP) and four different dithiophene derivatives (2,2′-bithiophene (BTPH), 2-(2-thienyl)furan (TFU), 4H-cyclopenta[2,1-b:3,4-b’]dithiophene (CDT), and cyclopentadithiophene ketone (CDTK)) are polymerized electrochemically on ITO electrode. The P(CDBP-co-BTPH) electrochromic coating has high transmittance change (ΔT = 71.1 %) and coloration efficiency (160.6 cm2 C−1). P(CDBP-co-BTPH) film reveals yellow-gray and dark blue in neutral and oxidation states, respectively. Electrochromic energy saving devices (ECDs) are assembled using P(CDBP), P(CDBP-co-BTPH), P(CDBP-co-TFU), P(CDBP-co-CDT) and P(CDBP-co-CDTK) films as the anodic layers and poly(3,4-(2,2-dimethylpropylenedioxy)thiophene) (PPD-M2) film as the cathodic layer. P(CDBP-co-BTPH)/PPD-M2 ECD shows a high transmittance change (ΔT = 30.3 %) and a rapid response time (≤0.3 s). Moreover, P(CDBP-co-BTPH)/PPD-M2 ECD also has sufficient optical memory and redox cycling stability. These findings provide us new insights for the useful design of polymer coatings in rapid switching electrochromic energy-saving devices and switchable architectural windows.

Pavlovian safety learning: An integrative theoretical review.

Safety learning involves associating stimuli with the absence of threats, enabling the inhibition of fear and anxiety. Despite growing interest in psychology, psychiatry, and neuroscience, safety learning lacks a formal consensus definition, leading to inconsistent methodologies and varied results. Conceptualized as a form of inhibitory learning (conditioned inhibition), safety learning can be understood through formal learning theories, such as the Rescorla-Wagner and Pearce-Hall models. This review aims to establish a principled conceptualization of 'Pavlovian safety learning', identifying cognitive mechanisms that generate safety and the boundary conditions that constrain it. Based on these observations, we define Pavlovian safety learning as an active associative process, where surprising threat-omission (safety prediction error) acts as a salient reinforcing event. Instead of producing merely neutral or nonaversive states, safety learning endows stimuli with active positive associations to 'safety'. The resulting stimulus-safety memories counteract the influence of fear memories, promoting fear regulation, positive affect, and relief. We critically analyze traditional criteria of conditioned inhibition for their relevance to safety and propose areas for future innovation. A principled concept of Pavlovian safety learning may reduce methodological inconsistencies, stimulate translational research, and facilitate a comprehensive understanding of an indispensable psychological construct.

Gate-Switchable Molecular Diffusion on a Graphene Field-Effect Transistor.

Controlling the surface diffusion of particles on 2D devices creates opportunities for advancing microscopic processes such as nanoassembly, thin-film growth, and catalysis. Here, we demonstrate the ability to control the diffusion of F4TCNQ molecules at the surface of clean graphene field-effect transistors (FETs) via electrostatic gating. Tuning the back-gate voltage (VG) of a graphene FET switches molecular adsorbates between negative and neutral charge states, leading to dramatic changes in their diffusion properties. Scanning tunneling microscopy measurements reveal that the diffusivity of neutral molecules decreases rapidly with a decreasing VG and involves rotational diffusion processes. The molecular diffusivity of negatively charged molecules, on the other hand, remains nearly constant over a wide range of applied VG values and is dominated by purely translational processes. First-principles density functional theory calculations confirm that the energy landscapes experienced by neutral vs charged molecules lead to diffusion behavior consistent with experiment. Gate-tunability of the diffusion barrier for F4TCNQ molecules on graphene enables graphene FETs to act as diffusion switches.

Tunable optoelectronic performances of aminated benzothiadiazole-based D-A-D conjugated electrochromic polymers

Introducing heteroatom groups into benzothiadiazole (BT) unit has proven to be a very effective way to improve the optoelectronic properties of conjugate polymer due to its comprehensive advantages of lowering the HOMO or LUMO energy level, and increasing the interaction force on the polymer backbone. However, at present, little attention was paid to introducing amino groups into the BT unit. Herein, in this work, three D-A-D type aminated monomers (Th–NH2-BT, Th–2NH2-BT, and EDOT-2NH2-BT) with aminated benzothiadiazole as the acceptor unit and thiophene or 3,4-ethylenedioxythiophene (EDOT) as the donor unit were successfully synthesized by Stille coupling reaction, and their corresponding aminated polymers (P(Th–NH2-BT), P(Th–2NH2-BT), and P(EDOT-2NH2-BT)) were facilely achieved by electrochemical polymerization method. The optoelectronic properties of the aminated monomers and their D-A polymers were carefully analyzed, and the electrochemical and electrochromic properties of the resultant aminated polymers were further studied. The finally results show that the absorption and fluorescence spectra of Th–2NH2-BT and EDOT-2NH2-BT are both blue-shifted compared to Th–NH2-BT, and the corresponding optical bandgap are gradually increased (2.41 eV–2.65 eV). EDOT-2NH2-BT has a relatively lower oxidation potential (0.73 V) and P(EDOT-2NH2-BT) also has a wide potential window and better redox stability, which was very beneficial for improving its resultant D-A aminated polymers’ optoelectronic properties. As a result, as-formed P(EDOT-2NH2-BT) shown obvious color change from green in the neutral state to gray in the oxidized state with favorable electrochromic performances, with a high optical contrast (ΔT = 17.17 % at 860 nm) and high coloration efficiency (CE = 223 C−1 cm2 at 860 nm), so it is one of the promising materials that can be used in electrochromic devices.

Davies-type phase transitions in 4D Dyonic AdS black holes from topological perspective

In this work, we discussed the Davies-type phase transitions in two distinct categories of dyonic AdS black holes (BHs). The first one is dyonic AdS BHs within four-dimensional spacetime framework. The second one is the dyonic BHs with quasitopological electromagnetism (QE) in Einstein-Gauss-Bonnet gravity (EGBG). First, we analyze the increasing and decreasing behavior of divergency depending upon different parameters which provides useful information about the region that are physical and stable. We also discuss the critical behavior of BHs in three different statistical ensembles: the canonical, mixed and grand canonical. It is noted that BHs can be classified into distinct topological classes based on their topological charge (Q) which assumes discrete values of 0,+1,−1. This topological charge plays a pivotal role in determining the phase structure and stability of the BHs within each ensemble. A topological charge of 0 corresponds to a neutral topological state that could be indicative of a more complex underlying structure, while charges of +1 or −1 indicate the presence of additional structures such as magnetic monopoles or dyons, which significantly influence the thermodynamic properties and phase transitions of the system.

Nitrated benzothiadiazole-based D-A electrochromic polymers with tunable spectral properties

Nitrated benzothiadiazole (BT) is the promising acceptor units in constructing D-A-D electrochromic polymers, but its researches in the electrochromic field was very limited so far. In this work, four kinds of nitrated polymer precursors (Th-NO2-BT, EDOT-NO2-BT, Th-2NO2-BT, and EDOT-2NO2-BT) were synthesized by Stille coupling reaction with EDOT and thiophene units as the end groups (electron donor units) and mono-nitrated benzothiadiazole and di-nitrated benzothiadiazole as the core groups (electron acceptor units). The chemical structure and optical properties of the precursor were investigated by means of 1H NMR, UV–vis absorption and fluorescence spectra; the corresponding mono-nitrated polymer films were obtained in CH2Cl2-Bu4NPF6 system by electrochemical deposition method. The optical band gap of di-nitrated polymer precursor is obviously larger than the corresponding mono-nitrated polymer precursor (both ultraviolet and fluorescence spectra are obviously blue-shifted), accompanied with the obvious increased initial oxidation potential. Due to the fluorescence quenching effect of -NO2 group, their absolute quantum yields are all very low (0.0006–0.015). The spectroelectrochemistry and electrochromic kinetics of mono-nitrated polymer films (P(Th-NO2-BT) and P(EDOT-NO2-BT)) were studied. It was found that P(EDOT-NO2-BT) can show better electrochromic performance than P(Th-NO2-BT), with dark green in the neutral state and more obvious electrochromic performance in the near-infrared region (optical contrast: 38.4 %, coloration efficiency: 129.1 cm2/C, and fast response time: 1.4 s). This systematically study about the effects of nitro substitution effect on the properties of D-A electrochromic polymers, which will further expand the selection of the new acceptor units and the application prospect of nitrated electrochromic materials.

Evidence for mood instability in patients with bipolar disorder: Applying multilevel hidden Markov modeling to intensive longitudinal ecological momentary assessment data.

Bipolar disorder (BD) is a chronic psychiatric condition characterized by large episodic changes in mood and energy. Recently, BD has been proposed to be conceptualized as chronic cyclical mood instability, as opposed to the traditional view of alternating discrete episodes with stable periods in-between. Recognizing this mood instability may improve care and call for high-frequency measures coupled with advanced statistical models. To uncover empirically derived mood states, a multilevel hidden Markov model (HMM) was applied to 4-month ecological momentary assessment data in 20 patients with BD, yielding ∼9,820 assessments in total. Ecological momentary assessment data comprised self-report questionnaires (5 × daily) measuring manic and depressive constructs. Manic and depressive symptoms were also assessed weekly using the Altman Self-Rating Mania Scale and the Quick Inventory for Depressive Symptomatology Self-Report. Alignment between HMM-uncovered momentary mood states and weekly questionnaires was assessed with a multilevel linear model. HMM uncovered four mood states: neutral, elevated, mixed, and lowered, which aligned with weekly symptom scores. On average, patients remained < 25 hr in one state. In almost half of the patients, mood instability was observed. Switching between mood states, three patterns were identified: patients switching predominantly between (a) neutral and lowered states, (b) neutral and elevated states, and (c) mixed, elevated, and lowered states. In all, elevated and lowered mood states were interspersed by mixed states. The results indicate that chronic mood instability is a key feature of BD, even in "relatively" euthymic periods. This should be considered in theoretical and clinical conceptualizations of the disorder. (PsycInfo Database Record (c) 2024 APA, all rights reserved).