Correction: A low cost azomethine-based hole transporting material for perovskite photovoltaics

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Ordering of apolar and polar solutes in nematic solvents

The quadrupolar splittings of deuteriated para- and ortho-dichlorobenzene (1,4-DCB and 1,2-DCB, respectively) are measured by nuclear magnetic resonance(NMR) in the nematic solvents hexyl- and pentyloxy-substituted diphenyl diacetylene (DPDA-C6 and DPDA-OC5, respectively). Measurements are taken for all four combinations of the nominally apolar (1,4-DCB) and polar (1,2-DCB) solutes in the apolar (DPDA-C6) and polar (DPDA-OC5) solvents, and throughout the entire nematic temperature range of the solutions. The temperature dependence of the second-rank orientational order parameters of the solutes are obtained from these measurements and the respective order parameters of the mesogenic cores of solvent molecules are obtained independently from carbon-13 NMR measurements. The order parameter profiles of the two solutes are found to be very different but show little variation from one solvent to the other. The results are analyzed and interpreted in terms of the underlying molecular interactions using atomistic solvent–solute potentials. The influence of electrostaticinteractions on solute ordering is directly evaluated by computing the order parameters with and without the electrostatic component of the atomistic potential. It is observed to be small. It is also found that the important interactions in these solvent–solute systems are operative over short intermolecular distances for which the representation of the partial charge distributions in terms of overall molecular dipole and quadrupole moments is not valid

Wholly Aromatic Ether-Imides as n-Type Semiconductors

Some wholly aromatic ether-imides consisting of rod-shaped, relatively-low-mass molecules that can form liquid crystals have been investigated for potential utility as electron-donor-type (ntype) organic semiconductors. It is envisioned that after further research to improve understanding of their physical and chemical properties, compounds of this type would be used to make thin film semiconductor devices (e.g., photovoltaic cells and field-effect transistors) on flexible electronic-circuit substrates. This investigation was inspired by several prior developments: Poly(ether-imides) [PEIs] are a class of engineering plastics that have been used extensively in the form of films in a variety of electronic applications, including insulating layers, circuit boards, and low-permittivity coatings. Wholly aromatic PEIs containing naphthalene and perylene moieties have been shown to be useful as electrochromic polymers. More recently, low-molecular-weight imides comprising naphthalene-based molecules with terminal fluorinated tails were shown to be useful as n-type organic semiconductors in such devices as field-effect transistors and Schottky diodes. Poly(etherimide)s as structural resins have been extensively investigated at NASA Langley Research Center for over 30 years. More recently, the need for multi-functional materials has become increasingly important. This n-type semiconductor illustrates the scope of current work towards new families of PEIs that not only can be used as structural resins for carbon-fiber reinforced composites, but also can function as sensors. Such a multi-functional material would permit so-called in-situ health monitoring of composite structures during service. The work presented here demonstrates that parts of the PEI backbone can be used as an n-type semiconductor with such materials being sensitive to damage, temperature, stress, and pressure. In the near future, multi-functional or "smart" composite structures are envisioned to be able to communicate such important parameters to the flight crew and provide vital information with respect to the operational status of their aircraft

Probing a non-biaxial behavior of infinitely thin hard platelets

We give a criterion to test a non-biaxial behavior of infinitely thin hard platelets of $D_{2h}$ symmetry based upon the components of three order parameter tensors. We investigated the nematic behavior of monodisperse infinitely thin rectangular hard platelet systems by using the criterion. Starting with a square platelet system, and we compared it with rectangular platelet systems of various aspect ratios. For each system, we performed equilibration runs by using isobaric Monte Carlo simulations. Each system did not show a biaxial nematic behavior but a uniaxial nematic one, despite of the shape anisotropy of those platelets. The relationship between effective diameters by simulations and theoretical effective diameters of the above systems was also determined.Comment: Submitted to JPS

A fabrication guide for planar silicon quantum dot heterostructures

We describe important considerations to create top-down fabricated planar quantum dots in silicon, often not discussed in detail in literature. The subtle interplay between intrinsic material properties, interfaces and fabrication processes plays a crucial role in the formation of electrostatically defined quantum dots. Processes such as oxidation, physical vapor deposition and atomic-layer deposition must be tailored in order to prevent unwanted side effects such as defects, disorder and dewetting. In two directly related manuscripts written in parallel we use techniques described in this work to create depletion-mode quantum dots in intrinsic silicon, and low-disorder silicon quantum dots defined with palladium gates. While we discuss three different planar gate structures, the general principles also apply to 0D and 1D systems, such as self-assembled islands and nanowires.Comment: Accepted for publication in Nanotechnology. 31 pages, 12 figure

Artificial intelligence-based recurrence prediction outperforms classical histopathological methods in pulmonary adenocarcinoma biopsies

Introduction: Between 10 and 50% of early-stage lung adenocarcinoma patients experience local or distant recurrence. Histological parameters such as a solid or micropapillary growth pattern are well-described risk factors for recurrence. However, not every patient presenting with such a pattern will develop recurrence. Designing a model which can more accurately predict recurrence on small biopsy samples can aid the stratification of patients for surgery, (neo-)adjuvant therapy, and follow-up. Material and Methods: In this study, a statistical model on biopsies fed with histological data from early and advanced-stage lung adenocarcinomas was developed to predict recurrence after surgical resection. Additionally, a convolutional neural network (CNN)-based artificial intelligence (AI) classification model, named AI-based Lung Adenocarcinoma Recurrence Predictor (AILARP), was trained to predict recurrence, with an ImageNet pre-trained EfficientNet that was fine-tuned on lung adenocarcinoma biopsies using transfer learning. Both models were validated using the same biopsy dataset to ensure that an accurate comparison was demonstrated. Results: The statistical model had an accuracy of 0.49 for all patients when using histology data only. The AI classification model yielded a test accuracy of 0.70 and 0.82 and an area under the curve (AUC) of 0.74 and 0.87 on patch-wise and patient-wise hematoxylin and eosin (H&amp;E) stained whole slide images (WSIs), respectively. Conclusion: AI classification outperformed the traditional clinical approach for recurrence prediction on biopsies by a fair margin. The AI classifier may stratify patients according to their recurrence risk, based only on small biopsies. This model warrants validation in a larger lung biopsy cohort.</p

Normative data for the lower extremity functional scale (LEFS)

Background and purpose — The lower extremity functional scale (LEFS) is a well-known and validated instrument for measurement of lower extremity function. The LEFS was developed in a group of patients with various musculoskeletal disorders, and no reference data for the healthy population are available. Here we provide normative data for the LEFS. Methods — Healthy visitors and staff at 4 hospitals were requested to participate. A minimum of 250 volunteers had to be included at each hospital. Participants were excluded if they had undergone lower extremity surgery within 1 year of filling out the questionnaire, or were scheduled for lower extremity surgery. Normative values for the LEFS for the population as a whole were calculated. Furthermore, the influence of sex, age, type of employment, socioeconomic status, and history o

Large time existence for 3D water-waves and asymptotics

We rigorously justify in 3D the main asymptotic models used in coastal oceanography, including: shallow-water equations, Boussinesq systems, Kadomtsev-Petviashvili (KP) approximation, Green-Naghdi equations, Serre approximation and full-dispersion model. We first introduce a ``variable'' nondimensionalized version of the water-waves equations which vary from shallow to deep water, and which involves four dimensionless parameters. Using a nonlocal energy adapted to the equations, we can prove a well-posedness theorem, uniformly with respect to all the parameters. Its validity ranges therefore from shallow to deep-water, from small to large surface and bottom variations, and from fully to weakly transverse waves. The physical regimes corresponding to the aforementioned models can therefore be studied as particular cases; it turns out that the existence time and the energy bounds given by the theorem are always those needed to justify the asymptotic models. We can therefore derive and justify them in a systematic way.Comment: Revised version of arXiv:math.AP/0702015 (notations simplified and remarks added) To appear in Inventione

Differentiating interstitial lung diseases from other respiratory diseases using electronic nose technology

Introduction: Interstitial lung disease (ILD) may be difficult to distinguish from other respiratory diseases due to overlapping clinical presentation. Recognition of ILD is often late, causing delay which has been associated with worse clinical outcome. Electronic nose (eNose) sensor technology profiles volatile organic compounds in exhaled breath and has potential to detect ILD non-invasively. We assessed the accuracy of differentiating breath profiles of patients with ILD from patients with asthma, chronic obstructive pulmonary disease (COPD), and lung cancer using eNose technology. Methods: Patients with ILD, asthma, COPD, and lung cancer, regardless of stage or treatment, were included in a cross-sectional study in two hospitals. Exhaled breath was analysed using an eNose (SpiroNose) and clinical data were collected. Datasets were split in training and test sets for independent validation of the model. Data were analyzed with partial least squares discriminant and receiver operating characteristic analyses. Results: 161 patients with ILD and 161 patients with asthma (n = 65), COPD (n = 50) or lung cancer (n = 46) were included. Breath profiles of patients with ILD differed from all other diseases with an area under the curve (AUC) of 0.99 (95% CI 0.97–1.00) in the test set. Moreover, breath profiles of patients with ILD could be accurately distinguished from the individual diseases with an AUC of 1.00 (95% CI 1.00–1.00) for asthma, AUC of 0.96 (95% CI 0.90–1.00) for COPD, and AUC of 0.98 (95% CI 0.94–1.00) for lung cancer in test sets. Results were similar after excluding patients who never smoked. Conclusions: Exhaled breath of patients with ILD can be distinguished accurately from patients with other respiratory diseases using eNose technology. eNose has high potential as an easily accessible point-of-care medical test for identification of ILD amongst patients with respiratory symptoms, and could possibly facilitate earlier referral and diagnosis of patients suspected of ILD.</p

Bandgaps in the propagation and scattering of surface water waves over cylindrical steps

Here we investigate the propagation and scattering of surface water waves by arrays of bottom-mounted cylindrical steps. Both periodic and random arrangements of the steps are considered. The wave transmission through the arrays is computed using the multiple scattering method based upon a recently derived formulation. For the periodic case, the results are compared to the band structure calculation. We demonstrate that complete band gaps can be obtained in such a system. Furthermore, we show that the randomization of the location of the steps can significantly reduce the transmission of water waves. Comparison with other systems is also discussed.Comment: 4 pages, 3 figure