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Background: Digital health interventions (DHIs) have significant potential to upscale treatment access to people experiencing psychosis but raise questions around patient safety. Adverse event (AE) monitoring is used to identify, record, and manage safety issues in clinical trials, but little is known about the specific content and context contained within extant AE reports. This study aimed to assess current AE reporting in DHIs., Study Design: A systematic literature search was conducted by the iCharts network (representing academic, clinical, and experts by experience) to identify trials of DHIs in psychosis. Authors were invited to share AE reports recorded in their trials. A content analysis was conducted on the shared reports., Study Results: We identified 593 AE reports from 18 DHI evaluations, yielding 19 codes. Only 29 AEs (4.9% of total) were preidentified by those who shared AEs as being related to the intervention or trial procedures. While overall results support the safety of DHIs, DHIs were linked to mood problems and psychosis exacerbation in a few cases. Additionally, 27% of studies did not report information on relatedness for all or at least some AEs; 9.6% of AE reports were coded as unclear because it could not be determined what had happened to participants., Conclusions: The results support the safety of DHIs, but AEs must be routinely monitored and evaluated according to best practice. Individual-level analyses of AEs have merit to understand safety in this emerging field. Recommendations for best practice reporting in future studies are provided., (© The Author(s) 2024. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center.)

Introduced by Pitzer in 1955, the acentric factor (ω) has been used to evaluate a molecule's deviation from the corresponding state principle. Pitzer devised ω based on a concept called perfect liquid (or centric fluid), a hypothetical species perfectly adhering to this principle. However, its physical significance remains unclear. This work attempts to clarify the centric fluid from an excess entropy perspective. We observe that the excess entropy per particle of centric fluids approximates -kB at their critical points, akin to the communal entropy of an ideal gas in classical cell theory. We devise an excess entropy dissection and apply it to model fluids (square-well, Lennard-Jones, Mie n-6, and the two-body ab initio models) to interpret this similarity. The dissection method identifies both centricity-independent and centricity-dependent entropic features. Regardless of the acentric factor, the attractive interaction contribution to the excess entropy peaks at the density where local density is most enhanced due to the competition between the local attraction and critical fluctuations. However, only in centric fluids does the entropic contribution from the local attractive potential become comparable to that of the hard sphere exclusion, making the centric fluid more structured than acentric ones. These findings elucidate the physical significance of the centric fluid as a system of particles where the repulsive and attractive contributions to the excess entropy become equal at its gas-liquid criticality. We expect these findings to offer a way to find suitable intermolecular potentials and assess the physical adequacy of equations of state., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

A relatively succinct set of property calculations can be used to construct efficient (in memory and speed) numerical approximations of that function in a rectangular domain. Through the use of adaptive subdivision with quadtrees and bi-Chebyshev expansions in each leaf, the function can be practically represented to the order of the noise in the function to be approximated. A further benefit is that evaluation of the approximation is noniterative and thus cannot fail to converge (a relatively common problem in thermophysical property libraries, especially for mixtures). Evaluation of the approximation function requires only a few bisection steps to identify the leaf of interest such that evaluation of the approximation data structure takes less than a microsecond. The technique is demonstrated by application to the vapor-liquid-equilibria evaluated with two different models (COSMO-SAC activity coefficient model and multifluid model). For the more expensive COSMO-SAC case, the approximation function is more than 2000 times faster to evaluate, and deviations in pressure are less than a part in 10 8 which is practically equal to the iteration convergence criterion., Competing Interests: The author declares no competing financial interest.

Entropy scaling is applied to the shear viscosity, self-diffusion coefficient, and thermal conductivity of simple monatomic fluids. An extensive molecular dynamics simulation series is performed to obtain these transport properties and the residual entropy of three potential model classes with variable repulsive exponents: n, 6 Mie (n = 9, 12, 15, and 18), Buckingham's exponential-six (α = 12, 14, 18, and 30), and Tang-Toennies (αT = 4.051, 4.275, and 4.600). A wide range of liquid and supercritical gas- and liquid-like states is covered with a total of 1120 state points. Comparisons to equations of state, literature data, and transport property correlations are made. Although the absolute transport property values within a given potential model class may strongly depend on the repulsive exponent, it is found that the repulsive steepness plays a negligible role when entropy scaling is applied. Hence, the plus-scaled transport properties of n, 6 Mie, exponential-six, and Tang-Toennies fluids lie basically on one master curve, which closely corresponds with entropy scaling correlations for the Lennard-Jones fluid. This trend is confirmed by literature data of n, 6 Mie, and exponential-six fluids. Furthermore, entropy scaling holds for state points where the Pearson correlation coefficient R is well below 0.9. The condition R > 0.9 for strongly correlating liquids is thus not necessary for the successful application of entropy scaling, pointing out that isomorph theory may be a part of a more general framework that is behind the success of entropy scaling. Density scaling reveals a strong influence of the repulsive exponent on this particular approach., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

Background: Ecological momentary assessment (EMA) involves completing multiple surveys over time in daily life, capturing in-the-moment experiences in real-world contexts. EMA use in psychosis studies has surged over several decades. To critically examine EMA use in psychosis research and assist future researchers in designing new EMA studies, this systematic review aimed to summarize the methodological approaches used for positive symptoms in psychosis populations and evaluate feasibility with a focus on completion rates., Methods: A systematic review of PubMed, PsycINFO, MEDLINE, Web of Science, EBSCOhost, and Embase databases using search terms related to EMA and psychosis was conducted. Excluding duplicate samples, a meta-analysis was conducted of EMA survey completion rates and meta-regression to examine predictors of completion., Results: Sixty-eight studies were included in the review. Characteristics and reporting of EMA methodologies were variable across studies. The meta-mean EMA survey completion computed from the 39 unique studies that reported a mean completion rate was 67.15% (95% CI = 62.3, 71.9), with an average of 86.25% of the sample meeting a one-third EMA completion criterion. No significant predictors of completion were found in the meta-regression. A variety of EMA items were used to measure psychotic experiences, of which few were validated., Conclusions: EMA methods have been widely applied in psychosis studies using a range of protocols. Completion rates are high, providing clear evidence of feasibility in psychosis populations. Recommendations for reporting in future studies are provided., (© The Author(s) 2023. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center.)

Objective: Integrating digital technologies with clinical practice promises to improve access and enhance care in the context of high service demand and constrained capacity., Method: We outline the emerging research in the integration of digital tools in clinical care, known as blended care, and provide case examples of mental health technology platforms currently in use, summarise findings regarding novel technologies such as virtual reality, and outline real-world implementation challenges and potential solutions., Results: Recent evidence shows that blended care approaches are clinically effective and improve service efficiency. Youth-specific technologies such as moderated online social therapy (MOST) are achieving a range of positive clinical and functional outcomes, while emerging technologies like virtual reality have strong evidence in anxiety disorder, and accumulating evidence in psychotic conditions. Implementation science frameworks show promise in helping overcome the common challenges faced in real-world adoption and ongoing use., Conclusion: The integrated, blended use of digital mental health technologies with face-to-face clinical care has the potential to improve care quality for young people while helping overcome the growing challenges faced by youth mental health service providers.

The COVID-19 pandemic has presented profound disruptions to young people at a critical period of psychosocial development. The current study aimed to explore the perceived negative and positive impacts of the COVID-19 pandemic on young people's mental health and wellbeing across a spectrum of clinical needs. A cross-sectional online survey including both quantitative and qualitative responses captured positive and negative impacts of COVID-19 across 593 young people with and without mental health care needs. Findings revealed high levels of clinical depression (48%), anxiety (51%), and loneliness in both samples. Approximately 75% of young people in primary mental health care services, and over 80% in the general population, reported a negative impact on work, non-work activities and mental health and wellbeing. Open-ended responses reflected positive impacts in the domains of greater capacity for self-care and reflection due to the decreased pressures of daily life. Negative impacts reflected worsening mental health, disruptions to key developmental milestones regarding relationships with self and others, and limited capacity for self-care. Together, these data highlight the critical need for early intervention support for the psychosocial impacts experienced by young people due to the pandemic, particularly among those with existing mental health care needs., Competing Interests: Declaration of Competing Interest The authors state they have no conflict of interest to disclose, (Copyright © 2023. Published by Elsevier B.V.)

Entropy scaling relates dynamic and thermodynamic properties by reducing the viscosity to a function of only the residual entropy. Molecular simulations are used to investigate the entropy scaling of the viscosity of three models of sodium chloride and five monovalent salts. Even though the correlation between the potential energy and the virial is weak, entropy scaling applies at liquid densities for all models and salts investigated. At lower densities, entropy scaling breaks down due to the formation of ion pairs and chains. Entropy scaling can be used to develop more extendable correlations for the dynamic properties of molten salts.

In this work, two classes of defects with multiparameter equations of state are investigated. In the first, it is shown that the critical point provided by equation of state developers often does not exactly meet the criticality conditions based on the first two density derivatives of the pressure being zero at the critical point. Based on the more accurate locations of the critical points given in the first part, the scaling of the densities along the binodal and spinodal in the critical region are investigated, and we find that the vast majority of equations have reasonable behavior but a few do not., Competing Interests: Conflict of interest None

Background: Depression and anxiety are prevalent in youth populations and typically emerge during adolescence. Repetitive negative thinking (RNT) is a putative transdiagnostic mechanism with consistent associations with depression and anxiety. Targeting transdiagnostic processes like RNT for youth depression and anxiety may offer more targeted, personalised and effective treatment., Methods: A meta-analysis was conducted to examine the effect of psychological treatments on RNT, depression and anxiety symptoms in young people with depression or anxiety, and a meta-regression to examine relationships between outcomes., Results: Twenty-eight randomised controlled trials examining 17 different psychological interventions were included. Effect sizes were small to moderate across all outcomes (Hedge's g depression = -0.47, CI -0.77 to -0.17; anxiety = -0.42, CI -0.65 to -0.20; RNT = -0.45, CI -0.67 to -0.23). RNT-focused and non-RNT focused approaches had comparable effects; however, those focusing on modifying the process of RNT had significantly larger effects on RNT than those focusing on modifying negative thought content. Meta-regression revealed a significant relationship between RNT and depression outcomes only across all intervention types and with both depression and anxiety for RNT focused interventions only., Conclusion: Consistent with findings in adults, this review provides evidence that reducing RNT with psychological treatment is associated with improvements in depression and anxiety in youth. Targeting RNT specifically may not lead to better outcomes compared to general approaches; however, focusing on modifying the process of RNT may be more effective than targeting content. Further research is needed to determine causal pathways.

The NIST REFPROP software program is a powerful tool for calculating thermophysical properties of industrially important fluids, and this manuscript describes the models implemented in, and features of, this software. REFPROP implements the most accurate models available for selected pure fluids and their mixtures that are valid over the entire fluid range including gas, liquid, and supercritical states, with the goal of uncertainties approaching the level of the underlying experimental data. The equations of state for thermodynamic properties are primarily of the Helmholtz energy form; a variety of models are implemented for the transport properties. We document the models for the 147 fluids included in the current version. A graphical user interface generates tables and provides extensive plotting capabilities. Properties can also be accessed through third-party apps or user-written code via the core property subroutines compiled into a shared library. REFPROP disseminates international standards in both the natural gas and refrigeration industries, as well as standards for water/steam., Competing Interests: The authors declare no competing financial interest., (Not subject to U.S. Copyright. Published 2022 by American Chemical Society.)

It is shown that the residual entropy (entropy minus that of the ideal gas at the same temperature and density) is mostly synonymous with the independent variable of density scaling, identifying a direct link between these two approaches. The residual entropy and the effective hardness of interaction (itself a derivative at constant residual entropy) are studied for the Lennard-Jones monomer and dimer as well as a range of rigid molecular models for carbon dioxide. It is observed that the density scaling exponent appears to be related to the two-body interactions in the dilute-gas limit.

Background: There is currently an increased interest in and acceptance of technology-enabled mental health care. To adequately harness this opportunity, it is critical that the design and development of digital mental health technologies be informed by the needs and preferences of end users. Despite young people and clinicians being the predominant users of such technologies, few studies have examined their perspectives on different digital mental health technologies., Objective: This study aims to understand the technologies that young people have access to and use in their everyday lives and what applications of these technologies they are interested in to support their mental health. The study also explores the technologies that youth mental health clinicians currently use within their practice and what applications of these technologies they are interested in to support their clients' mental health., Methods: Youth mental health service users (aged 12-25 years) from both primary and specialist services, young people from the general population (aged 16-25 years), and youth mental health clinicians completed a web-based survey exploring technology ownership, use of, and interest levels in using different digital interventions to support their mental health or that of their clients., Results: A total of 588 young people and 73 youth mental health clinicians completed the survey. Smartphone ownership or private access among young people within mental health services and the general population was universal (611/617, 99%), with high levels of access to computers and social media. Youth technology use was frequent, with 63.3% (387/611) using smartphones several times an hour. Clinicians reported using smartphones (61/76, 80%) and video chat (69/76, 91%) commonly in clinical practice and found them to be helpful. Approximately 50% (296/609) of the young people used mental health apps, which was significantly less than the clinicians (χ 2 3 =28.8, n=670; P<.001). Similarly, clinicians were significantly more interested in using technology for mental health support than young people (H 3 =55.90; P<.001), with 100% (73/73) of clinicians being at least slightly interested in technology to support mental health compared with 88% (520/591) of young people. Follow-up tests revealed no difference in interest between young people from the general population, primary mental health services, and specialist mental health services (all P>.23). Young people were most interested in web-based self-help, mobile self-help, and blended therapy., Conclusions: Technology access is pervasive among young people within and outside of youth mental health services; clinicians are already using technology to support clinical care, and there is widespread interest in digital mental health technologies among these groups of end users. These findings provide important insights into the perspectives of young people and clinicians regarding the value of digital mental health interventions in supporting youth mental health., (©Imogen H Bell, Andrew Thompson, Lee Valentine, Sophie Adams, Mario Alvarez-Jimenez, Jennifer Nicholas. Originally published in JMIR Mental Health (https://mental.jmir.org), 11.05.2022.)

Introduction: A strong link between voice-hearing experience and childhood trauma has been established. The aim of this study was to identify whether there were unique clusters of childhood trauma subtypes in a sample across the clinical spectrum of auditory verbal hallucinations (AVH) and to examine clinical and phenomenological features across these clusters. Methods: Combining two independent international datasets (the Netherlands and Australia), childhood trauma subtypes were examined using hierarchical cluster analysis. Clinical and phenomenological characteristics were compared across emerging clusters using MANOVA and chi-squared analyses. Results: The total sample ( n  = 413) included 166 clinical individuals with a psychotic disorder and AVH, 122 non-clinical individuals with AVH and 125 non-clinical individuals without AVH. Three clusters emerged: (1) low trauma ( n  = 299); (2) emotion-focused trauma ( n  = 71); (3) multi-trauma ( n  = 43). The three clusters differed significantly on their AVH ratings of amount of negative content, with trend-level effects for loudness, degree of negative content and degree of experienced distress. Furthermore, perceptions of voices being malevolent, benevolent and resistance towards voices differed significantly. Conclusion: The data revealed different types of childhood trauma had different relationships between clinical and phenomenological features of voice-hearing experiences. Thus, implicating different mechanistic pathways and a need for tailored treatment approaches.

A total of 2160 thermal conductivity data points, measured using a transient hot-wire instrument, are reported for binary mixtures of R-134a, R-1234yf, and R-1234ze(E) refrigerants from 200 to 340 K to pressures of 12 MPa for mixtures containing R-1234yf and to 50 MPa for R-134a/1234ze(E) mixtures. Data are reported at compositions of approximately (0.33/0.67) mole fraction and (0.67/0.33) mole fraction for each binary mixture investigated. The estimated relative expanded uncertainty of the thermal conductivity measurements is less than 2%. The data are used to refit binary interaction parameters for the Extended Corresponding States (ECS) model implemented in REFPROP (version 10.0). Additionally, the data in this study are used to assess the performance of a generalized entropy scaling model for refrigerants. Finally, the strengths and weaknesses of the ECS and entropy scaling models are compared., Competing Interests: The authors declare no competing financial interest. Commercial equipment, instruments, or materials are identified only to adequately specify certain procedures. Such identification does not imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the identified products are necessarily the best available for the purpose.

As the COVID-19 pandemic has largely increased the utilization of telehealth, mobile mental health technologies - such as smartphone apps, vir-tual reality, chatbots, and social media - have also gained attention. These digital health technologies offer the potential of accessible and scalable interventions that can augment traditional care. In this paper, we provide a comprehensive update on the overall field of digital psychiatry, covering three areas. First, we outline the relevance of recent technological advances to mental health research and care, by detailing how smartphones, social media, artificial intelligence and virtual reality present new opportunities for "digital phenotyping" and remote intervention. Second, we review the current evidence for the use of these new technological approaches across different mental health contexts, covering their emerging efficacy in self-management of psychological well-being and early intervention, along with more nascent research supporting their use in clinical management of long-term psychiatric conditions - including major depression; anxiety, bipolar and psychotic disorders; and eating and substance use disorders - as well as in child and adolescent mental health care. Third, we discuss the most pressing challenges and opportunities towards real-world implementation, using the Integrated Promoting Action on Research Implementation in Health Services (i-PARIHS) framework to explain how the innovations themselves, the recipients of these innovations, and the context surrounding innovations all must be considered to facilitate their adoption and use in mental health care systems. We conclude that the new technological capabilities of smartphones, artificial intelligence, social media and virtual reality are already changing mental health care in unforeseen and exciting ways, each accompanied by an early but promising evidence base. We point out that further efforts towards strengthening implementation are needed, and detail the key issues at the patient, provider and policy levels which must now be addressed for digital health technologies to truly improve mental health research and treatment in the future., (© 2021 World Psychiatric Association.)

We propose a simple and generic definition of a demarcation reconciling structural and dynamic frameworks when combined with the entropy scaling framework. This crossover line between gas- and liquid-like behaviors is defined as the curve for which an individual property, the contribution to viscosity due to molecules' translation, is exactly equal to a collective property, the contribution to viscosity due to molecular interactions. Such a definition is shown to be consistent with the one based on the minima of the kinematic viscosity. For the hard sphere, this is shown to be an exact solution. For Lennard-Jones spheres and dimers and for some simple real fluids, this relation holds very well. This crossover line passes nearby the critical point, and for all studied fluids, it is well captured by the critical excess entropy curve for atomic fluids, emphasizing the link between transport properties and local structure.

We survey existing data for refrigerant blends containing halogenated olefins (hydrofluoroolefins (HFO), hydrochlorofluoroolefins (HCFO) and hydrochloroolefins (HCO)) in the open literature. The data are primarily taken from the NIST SOURCE database and are presented in graphical form to demonstrate the relative coverage of the data. The primary conclusion is that blends containing halogenated olefins remain only sparsely measured in experiments, and some classes of data (e.g., speed-of-sound data) are particularly sparse for blends containing halogenated olefins. The second part of this study compares the thermodynamic models in NIST REFPROP against the experimental datasets and identifies systems (of which there are many) where refitting of the thermodynamic model is required.

Whilst telehealth may overcome some traditional barriers to care, successful implementation into service settings is scarce, particularly within youth mental health care. This study aimed to leverage the rapid implementation of telehealth due to COVID-19 to understand the perspectives of young people and clinicians on how telehealth impacts service delivery, service quality, and to develop pathways for future uses. Youth mental health service users (aged 12-25) and clinicians took part in an online survey exploring service provision, use, and quality following the adoption of telehealth. Service use data from the period were also examined. Ninety-two clinicians and 308 young people responded to the survey. Service use was reduced compared to the same period in 2019, however, attendance rates were higher. Across eight domains of service quality, the majority of young people reported that telehealth positively impacted service quality, and were significantly more likely to rate telehealth as having a positive impact on service quality than clinicians. There was high interest in continuing to use telehealth as part of care beyond the pandemic, supporting its permanent role in youth mental health care for a segment of service users. Future work should explore how best to support its long-term implementation., (Copyright © 2021. Published by Elsevier B.V.)

In this work, a residual entropy value 6/10 of the way between the critical point and a value of -2/3 of Boltzmann's constant is shown to collapse the scaled viscosity for the family of normal alkanes. Based on this approach, a nearly universal correlation is proposed that can reproduce 95% of the experimental data for normal alkanes within ±18% (without removal of clearly erroneous data). This universal correlation has no new fluid-specific empirical parameters and is based on experimentally accessible values. This collapse is shown to be valid to a residual entropy half way between the critical point and the triple point, beyond which the macroscopically-scaled viscosity has a super-exponential dependence on residual entropy, terminating at the triple point. A key outcome of this study is a better understanding of entropy scaling for fluids with intramolecular degrees of freedom. A study of the transport and thermodynamic properties at the triple point rounds out the analysis.

Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence on density or temperature near the glass transition. Although several theories have been proposed for explaining this dynamical slowdown, the origin remains to date elusive. We apply here an excess-entropy scaling strategy using molecular dynamics computer simulations and find a quasiuniversal, almost composition-independent, relation for binary mixtures, extending eight orders of magnitude in viscosity or diffusion coefficient. Metallic alloys are also well captured by this relation. The excess-entropy scaling predicts a quasiuniversal breakdown of the Stokes-Einstein relation between viscosity and diffusion coefficient in the supercooled regime. Additionally, we find evidence that quasiuniversality extends beyond binary mixtures, and that the origin is difficult to explain using existing arguments for single-component quasiuniversality.

Virtual reality (VR) is a potentially powerful technology for enhancing assessment in mental health. At any time or place, individuals can be transported into immersive and interactive virtual worlds that are fully controlled by the researcher or clinician. This capability is central to recent interest in how VR might be harnessed in both treatment and assessment of mental health conditions. The current review provides a summary of the advantages of using VR for assessment in mental health, focusing on increasing ecological validity of highly controlled environments, enhancing personalization and engagement, and capturing real-time, automated data in real-world contexts. Considerations for the implementation of VR in research and clinical settings are discussed, including current issues with cost and access, developing evidence base, technical challenges, and ethical implications. The opportunities and challenges of VR are important to understand as researchers and clinicians look to harness this technology to improve mental health outcomes.
., (© 2020, AICHServier GroupCopyright © 2020 AICH Servier Group. All rights reserved.)

In this work, we propose a generic and simple definition of a line separating gas-like and liquid-like fluid behaviors from the standpoint of shear viscosity. This definition is valid even for fluids such as the hard sphere and the inverse power law that exhibit a unique fluid phase. We argue that this line is defined by the location of the minimum of the macroscopically scaled viscosity when plotted as a function of the excess entropy, which differs from the popular Widom lines. For hard sphere, Lennard-Jones, and inverse-power-law fluids, such a line is located at an excess entropy approximately equal to -2/3 times Boltzmann's constant and corresponds to points in the thermodynamic phase diagram for which the kinetic contribution to viscosity is approximately half of the total viscosity. For flexible Lennard-Jones chains, the excess entropy at the minimum is a linear function of the chain length. This definition opens a straightforward route to classify the dynamical behavior of fluids from a single thermodynamic quantity obtainable from high-accuracy thermodynamic models.

The hardness of the effective inverse power law (IPL) potential, which can be obtained from thermodynamics or collision integrals, can be used to demonstrate similarities between thermodynamic and transport properties. This link is investigated for systems of increasing complexity (i.e., the EXP, square-well, Lennard-Jones, and Stockmayer potentials; ab initio results for small molecules; and rigid linear chains of Lennard-Jones sites). These results show that while the two approaches do not yield precisely the same values of effective IPL exponent, their qualitative behavior is intriguingly similar, offering a new way of understanding the effective interactions between molecules, especially at high temperatures. In both approaches, the effective hardness is obtained from a double-logarithmic temperature derivative of an effective area.

The COSMO-SAC modeling approach has found wide application in science as well as in a range of industries due to its good predictive capabilities. While other models for liquid phases, as for example UNIFAC, are in general more accurate than COSMO-SAC, these models typically contain many adjustable parameters and can be limited in their applicability. In contrast, the COSMO-SAC model only contains a few universal parameters and subdivides the molecular surface area into charged segments that interact with each other. In recent years, additional improvements to the construction of the sigma profiles and evaluation of activity coefficients have been made. In this work, we present a comprehensive description of how to postprocess the results of a COSMO calculation through to the evaluation of thermodynamic properties. We also assembled a large database of COSMO files, consisting of 2261 compounds, freely available to academic and noncommercial users. We especially focus on the documentation of the implementation and provide the optimized source code in C++, wrappers in Python, and sample sigma profiles calculated from each approach, as well as tests and validation results. The misunderstandings in the literature relating to COSMO-SAC are described and corrected. The computational efficiency of the implementation is demonstrated.

Background: Voice-hearing experiences can be distressing and impairing, and existing psychological treatments show modest effectiveness. Ecological momentary assessment and intervention (EMA/I) are two promising approaches which may be used as digital tools to support and enhance existing psychological therapies. The aim of this study was to investigate the potential clinical utility of smartphone-based EMA/I in a blended, coping focused therapy for voice-hearing experiences., Method: This pilot RCT focused on feasibility, acceptability and preliminary estimations of efficacy. Thirty-four participants with persisting and distressing voices were randomised to receive the four-session intervention along-side treatment-as-usual (TAU) or TAU-only., Results: Findings supported the feasibility and acceptability of the approach, with good engagement and satisfaction rates, and clinical outcomes showed the intervention holds promise for improving coping, overall severity of voices and to some degree their negative impact., Conclusion: This is the first examination of the use of EMA/I in a blended therapy for psychotic experiences, with findings suggesting these technologies show promise as clinical tools., Competing Interests: Declaration of competing interest The authors declare there are no conflicts of interest., (Copyright © 2019 Elsevier B.V. All rights reserved.)

In this work, a broadly-applicable and simple approach for building high accuracy viscosity correlations is demonstrated for propane. The approach is based on the combination of a number of recent insights related to the use of residual entropy scaling, especially a new way of scaling the viscosity for consistency with the dilute-gas limit. With three adjustable parameters in the dense phase, the primary viscosity data for propane are predicted with a mean absolute relative deviation of 1.38%, and 95% of the primary data are predicted within a relative error band of less than 5%. The dimensionality of the dense-phase contribution is reduced from the conventional two dimensional approach (temperature and density) to a one-dimensional correlation with residual entropy as the independent variable. The simplicity of the model formulation ensures smooth extrapolation behavior (barring errors in the equation of state itself). The approach proposed here should be applicable to a wide range of chemical species. The supporting information includes the relevant data in tabular form and a Python implementation of the model.

There is a renewed interest in the use of the refrigerant CF 3 I for refrigeration and air-conditioning applications, driven by its low global warming potential (similar to that of CO 2 ), low (but nonzero) ozone depletion potential, and its ability to suppress flammability. In this paper the existing thermodynamic data for this fluid are summarized. Furthermore, as CF 3 I has been proposed as a component in mixtures with other refrigerants, the emphasis of this paper is on the survey of existing mixture data and an assessment of the suitability of existing thermodynamic modeling approaches and estimation schemes to model the properties of these mixtures. For mixtures where sufficient data exist, interaction parameters have been optimized.

Rosenfeld proposed two different scaling approaches to model the transport properties of fluids, separated by 22 years, one valid in the dilute gas, and another in the liquid phase. In this work, we demonstrate that these two limiting cases can be connected through the use of a novel approach to scaling transport properties and a bridging function. This approach, which is empirical and not derived from theory, is used to generate reference correlations for the transport properties of the Lennard-Jones 12-6 fluid of viscosity, thermal conductivity, and self-diffusion. This approach, with a very simple functional form, allows for the reproduction of the most accurate simulation data to within nearly their statistical uncertainty. The correlations are used to confirm that for the Lennard-Jones fluid the appropriately scaled transport properties are nearly monovariate functions of the excess entropy from low-density gases into the supercooled phase and up to extreme temperatures. This study represents the most comprehensive metastudy of the transport properties of the Lennard-Jones fluid to date.

This work investigates the link between residual entropy and viscosity based on wide-ranging, highly accurate experimental and simulation data. This link was originally postulated by Rosenfeld in 1977 [Rosenfeld Y (1977) Phys Rev A 15:2545-2549], and it is shown that this scaling results in an approximately monovariate relationship between residual entropy and reduced viscosity for a wide range of molecular fluids [argon, methane, [Formula: see text], [Formula: see text], refrigerant R-134a (1,1,1,2-tetrafluoroethane), refrigerant R-125 (pentafluoroethane), methanol, and water] and a range of model potentials (hard sphere, inverse power, Lennard-Jones, and Weeks-Chandler-Andersen). While the proposed "universal" correlation of Rosenfeld is shown to be far from universal, when used with the appropriate density scaling for molecular fluids, the viscosity of nonassociating molecular fluids can be mapped onto the model potentials. This mapping results in a length scale that is proportional to the cube root of experimentally measurable liquid volume values., Competing Interests: The author declares no conflict of interest.

The field of digital mental health is rapidly expanding with digital tools being used in assessment, intervention, and supporting self-help. The application of digital mental health to hallucinations is, however, at a very early stage. This report from a working group of the International Consortium on Hallucinations Research considers particular synergies between the phenomenon of hallucinations and digital tools that are being developed. Highlighted uses include monitoring and managing intermittently occurring hallucinations in daily life; therapeutic applications of audio and video media including virtual and augmented reality; targeting verbal aspects of hallucinations; and using avatars to represent hallucinatory voices. Although there is a well-established Internet-based peer support network, digital resources for hallucinations have yet to be implemented in routine practice. Implementation may benefit from identifying how to market resources to the broad range of populations who experience hallucinations and identifying sustainable funding models. It is envisaged that digital tools will contribute to improved self-management and service provision for people experiencing hallucinations.

Two-dimensional cross-sections of the phase envelopes of fluid mixtures-in particular isotherms, isobars, and isopleths-are often computed point-by-point by incrementing a so-called marching variable and solving the equilibrium conditions at each step. The marching variable is usually pressure, temperature, or a mole fraction, depending on the application. These isolines, however, can have rather complicated shapes, so that a simple unidirectional "sweep" of the marching variable often gives merely a part of the desired isoline. It is then necessary to restart the sweep with different initial values, or to switch to another marching variable. This, however, makes it difficult to compute complete isolines automatically, without human interference. We propose here a new marching technique through which it is possible to follow isolines of arbitrary shape and thus to compute complete isolines, as long as they are contiguous.

This work evaluates the performance of the group contribution volume translated Peng-Robinson model when predicting the vapor-liquid equilibrium and single phase densities of 28 commercial refrigerant mixtures with low global warming potential and zero ozone depletion potential. Cubic equations of state, and particularly the Peng-Robinson equation of state, are widely used in the refrigeration industry due to their easy applicability for new substances, and their low computational time, although generally lower prediction accuracies must be expected compared to multiparameter equations of state. The group contribution volume translated Peng-Robinson equation of state combines the Peng-Robinson equation of state with a new attraction term, improved mixing rules using a group contribution approach, and volume translation. The results are compared with the estimates obtained using the non translated Peng-Robinson equation of state, and a multiparameter equation of state.

We investigated refrigerant blends as possible low GWP (global warming potential) alternatives for R-134a in an air-conditioning application. We carried out an extensive screening of the binary, ternary, and four-component blends possible among a list of 13 pure refrigerants comprising four hydrofluoroolefins (HFOs), eight hydrofluorocarbons (HFCs), and carbon dioxide. The screening was based on a simplified cycle model, but with the inclusion of pressure drops in the evaporator and condenser. The metrics for the evaluation were nonflammability, low GWP, high COP (coefficient of performance), and a volumetric capacity similar to the R-134a baseline system. While no mixture was ideal in all regards, we identified 16 binary and ternary blends that were nonflammable (based on a new estimation method) and with COP and capacity similar to the R-134a baseline; the tradeoff, however, was a reduction in GWP of, at most, 54% compared to R-134a. An additional seven blends that were estimated to be "marginally flammable" (ASHRAE Standard 34 classification of A2L) were identified with GWP reductions of as much as 99%. These 23 "best" blends were then simulated in a more detailed cycle model.

The modified residual entropy scaling approach has been shown to be a successful means of scaling dense phase transport properties. In this work, we investigate the dilute-gas limit of this scaling. This limit is considered for model potentials and highly accurate results from calculations with ab initio pair potentials for small molecules. These results demonstrate that with this approach, the scaled transport properties of noble gases can be collapsed without any empirical parameters to nearly their mutual uncertainties and that the scaled transport properties of polyatomic molecules are qualitatively similar, and for sufficiently high temperatures they agree with "universal" values proposed by Rosenfeld in 1999. There are significant quantitative differences between the model potentials and real fluids in these scaled coordinates, but this study provides a thorough coverage of model fluids and simple real fluids, providing the basis for further study. In the supporting information we provide the collected calculations with ab initio pair potentials from the literature, as well as code in the Python language implementing all aspects of our analysis.

Common approaches to the psychological treatment of distressing voice hearing experiences, such as cognitive behavioural therapy, aim to promote more adaptive cognitive, emotional and behavioural responses to these experiences. Digital technologies such as smartphones show promise for supporting and enhancing these treatments by linking immediate therapeutic settings to the context of daily life. Two promising technologies include ecological momentary assessment and intervention (EMA/I), which may offer a means of advanced assessment and support in daily life, and inform the tailoring of interventions to suit individual needs. In this study, a highly novel intervention approach was developed involving four face-to-face sessions with a psychologist blended with EMA/I between sessions in order to improve coping with distressing voice hearing experiences. The authors describe the background and development of this approach along-side a single case illustration, which supported feasibility and acceptability. This study details how digital technologies such as EMA/I may be used in future as clinical tools to enhance standard psychological treatments and clinical care of people with persisting and distressing experiences.

The aim of the current systematic review was to synthesise the research that has investigated thought disorder (TD) using task-based functional neuroimaging techniques to target executive, language, or semantic functions. Thirty-five pertinent studies were identified from January 1990 to August 2016. Functional correlates of TD included the superior and middle temporal, fusiform, and inferior frontal gyri bilaterally, as well as the left and right cingulate cortex, the right caudate nucleus, and the cerebellum. TD-related increases and decreases in activation were both evident in most of these regions. However, the specificity of these correlates from general clinical and cognitive influences is unknown. The cortical regions implicated overlap with those thought to contribute to language and semantic systems. Cortico-striatal circuitry may also play a role in some aspects of TD through aberrant salience representation and inappropriate attentional prioritisation. To advance the field further, greater integration across structural, functional, and behavioural measures is required, in addition to non-unitary considerations of TD., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

Background: Smartphone-based ecological momentary assessment and intervention (EMA/I) show promise for enhancing psychological treatments for psychosis. EMA has the potential to improve assessment and formulation of experiences which fluctuate day-to-day, and EMI may be used to prompt use of therapeutic strategies in daily life. The current study is an examination of these capabilities in the context of a brief, coping-focused intervention for distressing voice hearing experiences., Methods/design: This is a rater-blinded, pilot randomised controlled trial comparing a four-session intervention in conjunction with use of smartphone EMA/I between sessions, versus treatment-as-usual. The recruitment target is 34 participants with persisting and distressing voice hearing experiences, recruited through a Voices Clinic based in Melbourne, Australia, and via wider advertising. Allocation will be made using minimisation procedure, balancing of the frequency of voices between groups. Assessments are completed at baseline and 8 weeks post-baseline. The primary outcomes of this trial will focus on feasibility and acceptability of the intervention and trial methodology, with secondary outcomes examining preliminary clinical effects related to overall voice severity, the emotional and functional impact of the voices, and emotional distress., Discussion: This study offers a highly novel examination of specific smartphone capabilities and their integration with traditional psychological treatment for distressing voices. Such technology has potential to enhance psychological interventions and promote adaptation to distressing experiences., Trial Registration: Australian New Zealand Clinical Trial Registry, ACTRN12617000348358 . Registered on 7 March 2017.