Miracle-dz/UniFAR-FTUs huggingface dataset:
Deterministic fabrication of 3D/2D perovskite bilayer stacks for durable and efficient solar cells

Realizing solution-processed heterostructures is a long-enduring challenge in halide perovskites because of solvent incompatibilities that disrupt the underlying layer. By leveraging the solvent dielectric constant and Gutmann donor number, we could grow phase-pure two-dimensional (2D) halide perovskite stacks of the desired composition, thickness, and bandgap onto 3D perovskites without dissolving the underlying substrate. Characterization reveals a 3D–2D transition region of 20 nanometers mainly determined by the roughness of the bottom 3D layer. Thickness dependence of the 2D perovskite layer reveals the anticipated trends for n-i-p and p-i-n architectures, which is consistent with band alignment and carrier transport limits for 2D perovskites. We measured a photovoltaic efficiency of 24.5%, with exceptional stability of T99 (time required to preserve 99% of initial photovoltaic efficiency) of >2000 hours, implying that the 3D/2D bilayer inherits the intrinsic durability of 2D perovskite without compromising efficiency. Description Pure perovskite topcoats Two-dimensional (2D) halide perovskite passivation layers grown on three-dimensional (3D) perovskite can boost the power conversion efficiency (PCE) of solar cells, but spin-coating of these layers usually forms heterogeneous 2D phases or only ultrathin layers. Sidhik et al. found that solvents with the appropriate dielectric constant and donor strength could grow phase-pure 2D phases of controlled thickness and composition on 3D substrates without dissolving them. Solar cells maintained a peak PCE of 24.5% for 2000 hours with less than 1% degradation under continuous light at 55°C and 65% relative humidity. —PDS Solvents enable growth of phase-pure two-dimensional perovskites without dissolving three-dimensional perovskite substrates.
Changes in cardiopulmonary exercise capacity and limitations 3–12 months after COVID-19

Rationale To describe cardiopulmonary function during exercise 12 months after hospital discharge for coronavirus disease 2019 (COVID-19), assess the change from 3 to 12 months, and compare the results with matched controls without COVID-19. Methods In this prospective, longitudinal, multicentre cohort study, hospitalised COVID-19 patients were examined using a cardiopulmonary exercise test (CPET) 3 and 12 months after discharge. At 3 months, 180 performed a successful CPET, and 177 did so at 12 months (mean age 59.3 years, 85 females). The COVID-19 patients were compared with controls without COVID-19 matched for age, sex, body mass index and comorbidity. Main outcome was peak oxygen uptake (V′O2 peak). Results Exercise intolerance (V′O2 peak <80% predicted) was observed in 23% of patients at 12 months, related to circulatory (28%), ventilatory (17%) and other limitations including deconditioning and dysfunctional breathing (55%). Estimated mean difference between 3 and 12 months showed significant increases in V′O2 peak % pred (5.0 percentage points (pp), 95% CI 3.1–6.9 pp; p<0.001), V′O2 peak·kg−1 % pred (3.4 pp, 95% CI 1.6–5.1 pp; p<0.001) and oxygen pulse % pred (4.6 pp, 95% CI 2.5–6.8 pp; p<0.001). V′O2 peak was 2440 mL·min−1 in COVID-19 patients compared to 2972 mL·min−1 in matched controls. Conclusions 1 year after hospital discharge for COVID-19, the majority (77%), had normal exercise capacity. Only every fourth had exercise intolerance and in these circulatory limiting factors were more common than ventilator factors. Deconditioning was common. V′O2 peak and oxygen pulse improved significantly from 3 months. Exercise capacity improves in COVID-19 patients from 3 to 12 months after hospitalisation, and the majority have normal exercise capacity (77%). Circulatory limitations are more common than ventilatory limitation after COVID-19. Deconditioning is common. https://bit.ly/3DlPxcG
Microbased biorefinery for gold nanoparticle production: recent advancements, applications and future aspects

Abstract Multifaceted utility of nanomaterials is indispensable to meet the environmental challenges across the globe. Nanomaterials substantially contribute in delineating the rapidly advancing field of nanotechnology. Recently, primary emphasis has been laid down on augmenting the biological methodologies for the synthesis of nanomaterials. In this aspect, green nanotechnology has revolutionized the entire process of nanosynthesis. Essentially biofabrication of nanoparticles have long-range applications, primarily in the field of medical applications such as drug delivery, cancer diagnostics and genetic engineering processes. Biocompatible and stable nanoparticles synthesized from biological source can be an effective approach against the chemically synthesized owing to their non-expensive and eco-friendly attributes. Biological systems including bacteria, yeasts, fungi and plants have already been exploited in the field of nanotechnology. Use of fungi seems to be a very effective and economical approach for the synthesis of gold nanoparticles. Gold nanoparticles possess anti-oxidation activity, are highly stable and biocompatible in nature. Fungi-mediated nanoparticle biosynthesis is more advantageous as compared to bacterial synthesis. Fungi secrete large amounts of enzymes, whereas the enzyme secretion of yeasts is weak. Here, we have reported the recent advancements and future implications in the field of gold nanoparticle production and applications.
High performance of potassium n-doped carbon nanotube field-effect transistors

We describe a robust technique for the fabrication of high performance vertically scaled n-doped field-effect transistors from large band gap carbon nanotubes. These devices have a tunable threshold voltage in the technologically relevant range (−1.3 V⩽Vth⩽0.5 V) and can carry up to 5–6 μA of current in the on-state. We achieve such performance by exposure to potassium (K) vapor and device annealing in high vacuum. The treatment has a twofold effect to: (i) controllably shift Vth toward negative gate biases via bulk doping of the nanotube (up to about 0.6e−/nm), and (ii) increase the on-current by 1–2 orders of magnitude. This current enhancement is achieved by lowering external device resistance due to more intimate contact between K metal and doped nanotube channel in addition to potential reduction of the Schottky barrier height at the contact.
Model wavefunction forms to describe strong correlation in quantum chemistry

Standard approaches to approximating solutions to the Schrödinger equation rely upon the assumption that there is a single dominant electronic configuration with a small number of low-lying excited states. As such, they are referred to as single reference approaches and are accurate only when the band gap is small in comparison with the inter-electronic repulsion of the valence electrons. Systems for which this is the case are weakly-correlated. If the inter-electronic repulsion larger than the band gap, then a single electronic reference is not an appropriate ansatz for the physical wavefunction. As the strength of the interaction is increased many Slater determinants become near-degenerate, each providing non-negligible contributions. Such systems are strongly-correlated. The goal of the thesis was to employ wavefunctions which are: • non-trivial • tractable • size-consistent and extensive • not given in an active space We have outlined approaches based on wavefunction forms more suited to describe iv strong correlation. Built on the Lie algebra su(2), our first trial wavefunction was the Bethe ansatz solution to the reduced BCS Hamiltonian derived by Richardson. This wavefunction is expressed as a product of quasi-particles each parametrized in terms of quasi-momenta. Consistency among the quasi-momenta is ensured by a set of non-linear equations to be solved numerically. This approach is feasible in both variational and projected flavours. We next considered a wavefunction of the same form without requiring it to be an eigenvector of the reduced BCS Hamiltonian. A variational approach in this case is only feasible provided there are two equivalent descriptions in terms of particles and holes. In any case, a bivariational principle and a projected approach are both feasible. Also based on su(2), there is AP1roG (coupled cluster pair doubles). Open-shell singlets and triplets were constructed with the Lie algebras sp(N) and so(4N). The resulting formulae appear to be infeasible unless it is possible to efficiently compute generalizations of determinants to three-dimensional objects. Treating each spatial orbital individually, all four possible occupations close the Lie superalgebra gl(2|2).
The Analysis for the Total Least Squares Problem with More Than One Solution

This paper presents an analysis of the solutions of the total least squares problem (TLS) $AX \approx B$ in cases where the matrix $(A,B)$ may have multiple smallest singular values. General formulas for the minimum norm TLS solutions are given; the difference between the TLS and the LS solutions is obtained; the error bounds for the perturbed TLS solutions with or without minimal length are deduced. The analysis is useful especially for rank deficient problems and generalizes previous results of Golub and Van Loan, Van Huffel and Vandewalle, and Zoltowski. Numerical results for a practical application are also given to verify the error bounds.
Diagnostics of Semantic Word Spaces

In collaboration with Gavagai, a company that developsautomated and scalable methods for retrieving actionableintelligence from dynamic data, I have been studying semanticword spaces and topology.In this bachelor’s thesis, with help from computational topology,I introduce new ways to describe properties of thesesemantic word spaces, so called barcodes. I develop a measureto describe barcodes of betti number zero, prove itsvalidity and discuss its implications.
Improvement of temperature coefficient of resistance of a VO2 film on an SiN/polyimide/Si substrate by excimer laser irradiation for IR sensors

Using a laser-assisted sputtering process, we have successfully prepared a VO2 film on a SiN/polyimide/Si substrate. We investigated the effects of laser fluence and shot number on the crystallization and temperature coefficient of resistance (TCR) of the deposited VO2 films. At a constant shot number (2500 pulses), the resistivity of the film decreased from 50 to 60 mJ/cm2, and that of the film increased with an increase from 70 to 80 mJ/cm2. At 50 mJ/cm2, the resistivity decreased with increasing shot number. TCR at 30 °C of the amorphous VO2 film on a SiN/polyimide/Si substrate prepared by KrF laser irradiation at 50 mJ/cm2 for 4150 pulses at room temperature is 1.73%/K. In addition, TCR of the film prepared at 70 mJ/cm2 was 3.36%/K at 40 °C. This TCR of the film is much higher than that of the film (1.70%/K) prepared by thermal annealing, which is used in the present IR sensor. The VO2 films prepared by laser sputtering are promising materials for IR sensors, which are increasingly used in industry.
Optimization of an integrated actuator placement and robust control scheme for distributed parameter processes subject to worst-case spatial disturbance distribution

In many works, the location and placement of actuating devices in systems governed by distributed parameter systems is primarily based on either controllability or performance based criteria. Locations that yield enhanced controllability, i.e., rendering systems "more controllable" or enhance a performance-based criterion (usually LQR-type) are considered optimal. The control signal is subsequently calculated using an optimal or robust functional based on those actuator choices. While the resulting control with this "optimal" location provides improved performance, it nonetheless ignores the spatial variation of the disturbance distribution function. A way to enhance control robustness is to place the actuators in locations that provide optimality with respect to worst-case spatial distributions of disturbances. Once this is achieved, a robust controller may then be designed accounting for a worst-case temporal disturbance function. This idea is implemented in a class of parabolic distributed parameter systems where it is observed that locations that might yield an optimal location using solely performance measures might produce poor robustness with respect to spatiotemporal disturbances. Computational issues regarding the robustness measure for placing actuators subject to a "worst-case" disturbance are examined and a numerical example is presented to support the theoretical findings of this work.
Optimization of relay placement for scalable virtual private LAN services

Virtual Private LAN Services are becoming popular for securely connecting geographically dispersed devices to a common protected LAN network isolated from the rest of the Internet. Traditional IP routing protocols cannot provide such connectivity; thus an overlay network of encrypted HIP/IPsec tunnels can be used instead. However, the number of full-mesh tunnels between communicating devices grows exponentially to the number of devices thereby suggesting the investigation of alternatives. The introduction of relaying, which entails selecting a subset of hub routers to retain full-mesh connectivity, allows non-hub routers, the so-called spokes, to maintain connectivity via a hub. In this work, we study the effect of relay-based routing that minimizes the number of hubs, the connection cost between spokes and hubs, the cost of connecting hubs, and the hubs deployment cost. Additionally, we prove that this minimization problem is NP-hard and, thus, intractable for large scale networks. Therefore, we propose an algorithm with provable guarantees that provides an approximate but efficient solution. Initial simulation results indicate a reduction by more than 90% in the memory required for routing tables at the expense of a minor increase in the tunnel path length.
A first step towards checking BGP routes in the dataplane

BGP is a fragile routing protocol since it is based on an implicit system of trust between the Autonomous Systems (AS) participating in the exchange of routes on the Internet. Any router can announce the routes it wants without being the owner. Due to the lack of a validation system for the announcements made by BGP routers, a series of RFCs published after the release of BGP have partially solved this problem by introducing the Resource Public Key Infrastructure (RPKI). In this paper, we aim to complement the security mechanisms of BGP by introducing a new active control system. We propose to validate BGP paths in the dataplane. We extend the BGP implementation of FRRouting (an open source Internet routing protocol suite) to demonstrate the feasibility of our approach. Finally, we discuss the potential of an active system in a routing protocol to both secure BGP announcements and improve the routing decision.
The control software of the BEaTriX x-ray beam calibration facility: problems and solutions

In the context of the ATHENA mission, the BEaTriX (Beam Expander Testing X-ray) facility has been developed for the test and acceptance of the Silicon Pore Optics Modules (MM) that, once assembled, will compose the mirror of the X-ray telescope. This paper describes the software developed to control the entire facility. The language employed is LabVIEW, a control language commonly used for data acquisition, instrument control, and industrial automation. The software is composed of two independent sections: the first one is dedicated to the management of the facility during the tests of the mirror modules, as it incorporates an automated control of all the functionalities of the facility. The second one will be used for the maintenance of the facility, permitting the independent access to every single component of the system for functional checks. In the paper, the program and its functionalities are described, presenting what we have implemented to address specific problems.
High-volume spectral data processing pipeline at the Dominion Radio Astrophysical Observatory

A novel approach for a high-volume radio telescope data processing pipeline is under development at the Dominion Radio Astrophysical Observatory (DRAO). The pipeline is designed to temporarily store raw telescope data, filter and repackage the raw data packets into standard astronomical products and upload the generated results to the Canadian Astronomy Data Centre for archival storage and distribution, all at near real-time. The system is designed to support the processing tasks of a common DRAO spectrometer infrastructure currently being commissioned for both the John A. Galt 26m telescope and the Dish Verification Antenna 2 telescope at DRAO.
Continuous Time Model Estimation

This paper introduces an easy to follow method for continuous time model estimation. It serves as an introduction on how to convert a state space model from continuous time to discrete time, how to decompose a hybrid stochastic model into a trend model plus a noise model, how to estimate the trend model by simulation, and how to calculate standard errors from estimation of the noise model. It also discusses the numerical difficulties involved in discrete time models that bring about the unit roots illusion in econometrics.
Comparing the Effectiveness of a90/95 Calculations

Most practitioners see a90/95 as a static, single‐point summary of an entire inspection’s capability. It purports to be the size of the target having at least 90% probability of detection in 95 of 100 POD experiments under nominally identical conditions. But in some situations the actual coverage is closer to 80%, rather than 95%, with 50% coverage being the median POD(a) curve itself. This paper discusses the two philosophies, the Wald Method, and the Loglikelihood Ratio Method, for constructing lower bounds on POD(a) curves (and therefore determining a90/95) and compares the effectiveness of each as functions of other experimental realities such as sample size and balance.
An improved line-of-sight guidance law for path following of Unmanned Surface Vehicle based on adaptive lookahead distance

This paper proposes an improved line-of-sight (LOS) guidance law for path following of Unmanned Surface Vehicle (USV) based on adaptive lookahead distance. The adaptive lookahead distance guidance algorithm of path following is designed as a new function of the USV’s cross tracking error to adjust the lookahead distance with less parameters and less initial lookahead distance, so that the USV reach the desired path quickly and stably in both straight-line and curve guidance. In the experiment, it is compared with other algorithms using the PID controller and Qihang USV model. The simulation results show the effectiveness of the adaptive lookahead distance algorithm in both straight-line and curve desired path. Compared with other guidance algorithms, the improved adaptive LOS guidance algorithm reaches the desired path faster for the first time and is closer to the desired path after stabilization.
Perspectives and Influences on Occupation-Based Hand Therapy

Background. Occupational therapists practicing hand therapy are challenged to implement occupation-based practices (OBPs) due to the strong influence of the medical model. Purpose. To explore hand therapists’ perceptions of OBP and describe occupation-based interventions (OBIs) in hand therapy. Method. Qualitative content analysis (QCA) was used to analyze semi-structured interviews with seven hand therapists. Findings. Six themes emerged: (1) OBP denotes treatment that is customized to ensure individual meaningfulness to each client; (2) the client–therapist relationship is a foundational element central to OBP in hand therapy; (3) goal setting serves as an important link between biomechanics and occupation; (4) OBP in hand therapy encompasses a spectrum of both OB and non-OB interventions; (5) various contextual factors influence OBI; (6) advanced experience in hand therapy facilitates enactment of tailored OBI. Implications. Comprehension of multiple aspects of occupation-based methods in hand therapy exemplifies best practices for clinicians to benefit clients and the profession's identity.
Exposure to BA.4/BA.5 Spike glycoprotein drives pan-Omicron neutralization in vaccine-experienced humans and mice

The SARS-CoV-2 Omicron variant and its sublineages show pronounced viral escape from neutralizing antibodies elicited by vaccination or prior SARS-CoV-2 variant infection owing to over 30 amino acid alterations within the spike (S) glycoprotein. We and others have recently reported that breakthrough infection of vaccinated individuals with Omicron sublineages BA.1 and BA.2 are associated with distinct patterns of cross-neutralizing activity against SARS-CoV-2 variants of concern (VOCs). BA.2 breakthrough infection mediated overall stronger cross-neutralization of BA.2 and its descendants (BA.2.12.1, BA.4, and BA.5) compared to BA.1 breakthrough infection. Here we characterized the effect of Omicron BA.4/BA.5 S glycoprotein exposure on the magnitude and breadth of the neutralizing antibody response upon breakthrough infection in vaccinated individuals and in mice upon booster vaccination. We show that immune sera from triple mRNA-vaccinated individuals with subsequent Omicron BA.4/BA.5 breakthrough infection display broad and robust neutralizing activity against Omicron BA.1, BA.2, BA.2. 12.1, and BA.4/BA.5. Administration of a prototypic BA.4/BA.5-adapted mRNA booster vaccine to mice following SARS-CoV-2 wild-type strain-based primary immunization is associated with similarly broad neutralizing activity. Immunization of naïve mice with a bivalent mRNA vaccine (wild-type + Omicron BA.4/BA.5) induces strong and broad neutralizing activity against Omicron VOCs and previous variants. These findings suggest that when administered as boosters, mono- and bivalent Omicron BA.4/BA.5-adapted vaccines may enhance neutralization breadth, and in a bivalent format may also have the potential to confer protection to individuals with no pre-existing immunity against SARS-CoV-2.
Loss of the first β-strand of human prion protein generates an aggregation-competent partially “open” form

Prion diseases, a group of incurable, lethal neurodegenerative disorders of mammals including humans, are caused by prions, assemblies of misfolded host prion protein (PrP). The pathway of PrP misfolding is still unclear, though previous data indicate the presence of a structural core in cellular PrP (PrPC), whose cooperative unfolding presents a substantial energy barrier on the path to prion formation. PrP is a GPI-anchored membrane protein, and a number of studies suggest that membrane interactions play an important role in the conversion of PrPC to its disease-associated form, including a transmembrane form of PrP in which a highly conserved region (residues 110 - 136) spans the ER membrane. Insertion of this region results in the detachment of the PrPC first β-strand from the structural core. The effect of this removal on the structure, stability and self-association of the folded domain of PrPC is determined here through a biophysical characterisation of a truncated form of PrPC lacking this region. Whilst markedly destabilised, NMR chemical shifts show that the truncated protein exhibits tertiary structure characteristic of a fully folded protein and retains its native secondary structure elements, including the second strand of the PrP β-sheet, but with altered conformational flexibility in the β2-α2 loop and first α-helix. The latter is destabilised relative to the other helical regions of the protein, with markedly increased solvent exposure. This truncated form of PrP fibrilises more readily than the native form of the protein. These data suggest a stepwise mechanism, in which a destabilised “open” form of PrPC may be a key intermediate in the refolding to the fibrillar, pathogenic form of the protein.