nils-herrmann/clean_scirepeval huggingface dataset:
A metal organic framework based splitter for separating propylene from propane
Venue: Science

Separating one organic from another Separating closely related organic molecules is a challenge (see the Perspective by Lin).The separation of acetylene from ethylene is needed in high purity polymer production. Cui et al. developed a copper based metal organic framework with hexafluorosilicate and organic linkers designed to have a high affinity for acetylene. These materials, which capture four acetylene molecules in each pore, successfully separated acetylene from mixtures with ethylene. Propane and propylene are both important feedstock chemicals. Their physical and chemical similarity, however, requires energy intense processes to separate them. Cadiau et al. designed a fluorinated porous metal organic framework material that selectively adsorbed propylene, with the complete exclusion of propane. Science, this issue pp. 141 and 137; see also p. 121 A tailored metal organic framework material is able to separate propane from propylene. The chemical industry is dependent on the olefin/paraffin separation, which is mainly accomplished by using energy intensive processes. We report the use of reticular chemistry for the fabrication of a chemically stable fluorinated metal organic framework (MOF) material (NbOFFIVE 1 Ni, also referred to as KAUST 7) The bridging of Ni(II) pyrazine square grid layers with (NbOF5)2 pillars afforded the construction of a three dimensional MOF, enclosing a periodic array of fluoride anions in contracted square shaped channels. The judiciously selected bulkier (NbOF5)2 caused the looked for hindrance of the previously free rotating pyrazine moieties, delimiting the pore system and dictating the pore aperture size and its maximum opening. The restricted MOF window resulted in the selective molecular exclusion of propane from propylene at atmospheric pressure, as evidenced through multiple cyclic mixed gas adsorption and calorimetric studies.
Splitter/Combiner Microstrip Sections Loaded With Pairs of Complementary Split Ring Resonators (CSRRs) Modeling and Optimization for Differential Sensing Applications
Venue: IEEE Transactions on Microwave Theory and Techniques

This paper focuses on the analysis of splitter/ combiner microstrip sections where each branch is loaded with a complementary split ring resonator (CSRR) The distance between CSRRs is high, and hence, their coupling can be neglected. If the structure exhibits perfect symmetry with regard to the axial plane, a single transmission zero (notch) at the fundamental resonance of the CSRR, arises. Conversely, two notches (i.e. frequency splitting) appear if symmetry is disrupted, and their positions are determined not only by the characteristics of the CSRRs but also by the length of the splitter/combiner sections. A model that includes lumped elements (accounting for the CSRR loaded line sections) and distributed components (corresponding to the transmission lines) is proposed and used to infer the position of the transmission zeros. Frequency splitting is useful for the implementation of differential sensors and comparators based on symmetry disruption. Using the model, the length of the splitter/combiner sections necessary to optimize the sensitivity of the structures as sensing elements is determined. Parameter extraction and comparison with electromagnetic simulations and measurements in several symmetric and asymmetric structures is used to validate the model. Finally, a prototype device sensor/comparator based on the proposed CSRR loaded splitter/combiner microstrip sections is presented.
High extinction ratio silicon polarization beam splitter with tolerance to waveguide width and coupling length variations.
Venue: Optics express

We demonstrate a compact silicon polarization beam splitter (PBS) based on grating assisted contradirectional couplers (GACCs) Over 30 dB extinction ratios and less than 1 dB insertion losses are achieved for both polarizations. The proposed PBS exhibits tolerance in width variation, and the polarization extinction ratios remain higher than 20 dB for both polarizations when the width variation is adjusted from 10 to 10 nm. Benefiting from the enhanced coupling by the GACCs, the polarization extinction ratio can be kept higher than 15 dB and the insertion loss is lower than 2 dB for both polarizations when the coupling length varies from 30.96 to 13.76 mm.
Notary Assisted Certificate Pinning for Improved Security of Android Apps
Venue: 2016 11th International Conference on Availability, Reliability and Security (ARES)

The security provided to Internet applications by the TLS protocol relies on the trust we put on Certificate Authorities (CAs) issuing valid identity certificates. TLS certificate pinning is a proposed approach to defend against man in the middle (MitM) attacks that are realized using valid albeit fraudulent certificates. Yet, the implementation of certificate pinning for mobile applications, and especially for Google Android apps, is cumbersome and error prone, resulting in inappropriate connection handling and privacy leaks of user information. We propose the use of TLS notary assisted certificate pinning at the Android Runtime level. Our approach defends against a wide range of MitM attacks without needing to update the application using TLS. Furthermore, by relying on the collective knowledge of the trusted TLS notaries, we increase both the security and the usability, while at the same time we remove the burden for the user making trust decisions about system security issues. We describe a proof of concept implementation demonstrating its capabilities and discuss the next steps necessary towards general availability of our solution.
Multidimensional Perfectionism and Burnout
Venue: Personality and social psychology review an official journal of the Society for Personality and Social Psychology, Inc

A meta analysis of research examining the relationships between multidimensional perfectionism and burnout is provided. In doing so, relationships before and after controlling for the relationship between dimensions of perfectionism were examined along with whether relationships were moderated by domain (work, sport, or education) A literature search yielded 43 studies (N 9,838) and 663 effect sizes. Meta analysis using random effects models revealed that perfectionistic strivings had small negative or non significant relationships with overall burnout and symptoms of burnout. By contrast, perfectionistic concerns displayed medium to large and medium positive relationships with overall burnout and symptoms of burnout. After controlling for the relationship between dimensions of perfectionism, "pure" perfectionistic strivings displayed notably larger negative relationships. In terms of moderation, in some cases, perfectionistic strivings were less adaptive and perfectionistic concerns more maladaptive in the work domain. Future research should examine explanatory mechanisms, adopt longitudinal designs, and develop interventions to reduce perfectionistic concerns fueled burnout.
Database Meets Deep Learning: Challenges and Opportunities
Venue: SGMD

Deep learning has recently become very popular on account of its incredible success in many complex datadriven applications, including image classification and speech recognition. The database community has worked on data driven applications for many years, and therefore should be playing a lead role in supporting this new wave. However, databases and deep learning are different in terms of both techniques and applications. In this paper, we discuss research problems at the intersection of the two fields. In particular, we discuss possible improvements for deep learning systems from a database perspective, and analyze database applications that may benefit from deep learning techniques.
Ethnic Relations in Malaysia: Harmony Conflict by Syed Husin Ali (review)

We know that conflicts and killings occur when one group tries to use race or ethnicity in order to perpetrate its racial or ethnic superiority and control over economic and political power. But we do not know of any easy solutions to these problems. Nevertheless, in the context of Malaysia and perhaps in many other countries as well, the establishment of social justice and democracy can go a long way towards improving the situation. By social justice, I mean a more equitable distribution of wealth. By democracy, I mean broader civil liberties, greater freedom and more people's participation in the decision making process (p. 201)
Perspective: Kohn Sham density functional theory descending a staircase.
Venue: The Journal of chemical physics

This article presents a perspective on Kohn Sham density functional theory (KS DFT) for electronic structure calculations in chemical physics. This theory is in widespread use for applications to both molecules and solids. We pay special attention to several aspects where there are both concerns and progress toward solutions. These include: 1. The treatment of open shell and inherently multiconfigurational systems (the latter are often called multireference systems and are variously classified as having strong correlation, near degeneracy correlation, or high static correlation; KS DFT must treat these systems with broken symmetry determinants) 2. The treatment of noncovalent interactions. 3. The choice between developing new functionals by parametrization, by theoretical constraints, or by a combination. 4. The ingredients of the exchange correlation functionals used by KS DFT, including spin densities, the magnitudes of their gradients, spin specific kinetic energy densities, nonlocal exchange (Hartree Fock exchange) nonlocal correlation, and subshell dependent corrections (DFT+U) 5. The quest for a universal functional, where we summarize some of the success of the latest Minnesota functionals, namely MN15 L and MN15, which were obtained by optimization against diverse databases. 6. Time dependent density functional theory, which is an extension of DFT to treat time dependent problems and excited states. The review is a snapshot of a rapidly moving field, and like Marcel Duchamp we hope to convey progress in a stimulating way.
Perspective: Fundamental aspects of time dependent density functional theory.
Venue: The Journal of chemical physics

In the thirty two years since the birth of the foundational theorems, time dependent density functional theory has had a tremendous impact on calculations of electronic spectra and dynamics in chemistry, biology, solid state physics, and materials science. Alongside the wide ranging applications, there has been much progress in understanding fundamental aspects of the functionals and the theory itself. This Perspective looks back to some of these developments, reports on some recent progress and current challenges for functionals, and speculates on future directions to improve the accuracy of approximations used in this relatively young theory.
Metacognitive Interpersonal Therapy for Personality Disorders: A Case Study Series
Venue: Journal of Contemporary Psychotherapy

The study aimed to assess the effectiveness of metacognitive interpersonal therapy (MIT) as a psychological treatment for presentations consistent with non borderline personality disorders (PD) We conducted a single case series of three patients with personality disorders meeting inclusion criteria. Clients received 2 years of weekly individual MIT. Outcomes were assessed every 3 months for the first year at the end of treatment and at 3 months follow up. Co primary outcomes were reduction in the number of SCID II PD criteria met and reduction in self reported global distress (SCL 90 R GSI) Secondary outcomes were reduction in self reported interpersonal problems (IIP 32) anxiety (STAI Y) depression (BDI II) and emotional dysregulation (DERS) Reliable Change Indices were calculated for all outcomes. All three patients completed treatment, achieving reliable change at the end of treatment for reduction in total number of personality disorder criteria and in overall symptoms. For secondary outcomes, two patients improved in emotion regulation, one in depression. There was no evidence of reliable change on self reported anxiety or interpersonal problems. At 3 months post treatment improvements in overall symptoms and emotional regulation were observed for all patients. Plot analyses of the results showed a trend towards reduction for all outcomes. MIT is a new manualized treatment for non borderline PD's. We demonstrate preliminary evidence of acceptability and effectiveness in this understudied population. Future studies are required to establish the effectiveness of MIT in larger PD samples, including patients with lower socio economic status.
A Legal and Ethical Analysis of the Effects of Triggering Conditions on Surrogate Decision Making in End of Life Care in the US
Venue: HEC forum an interdisciplinary journal on hospitals' ethical and legal issues

The central claim of this paper is that American states' use of so called "triggering conditions" to regulate surrogate decision making authority in end of life care leaves unresolved a number of important ethical and legal considerations regarding the scope of that authority. The paper frames the issue with a case set in a jurisdiction in which surrogate authority to withdraw life sustaining treatment is triggered by two specific clinical conditions. The case presents a quandary insofar as the clinical facts do not satisfy the triggering conditions, and yet both the appropriate surrogates and the care team agree that withdrawal of life sustaining treatment is in the best interest of the patient. The paper surveys applicable law across the 50 states and weighs the arguments for and against the inclusion of such triggering conditions in relevant legal regimes. The paper concludes by assessing the various legal and policy options states have for regulating surrogate decision making authority in light of the moral considerations (including epistemic difficulties) and notes the possibility for conflict within ethics teams arising from the potential tension between prudence, risk aversion, and moral obligation.
M Minimum Description Length Principle

The minimum description length (MDL) principle states that one should prefer the model that yields the shortest description of the data when the complexity of the model itself is also accounted for. MDL provides a versatile approach to statistical modeling. It is applicable to model selection and regularization. Modern versions of MDL lead to robust methods that are well suited for choosing an appropriate model complexity based on the data, thus extracting the maximum amount of information from the data without over fitting. The modern versions of MDL go well beyond the familiar k2 logn formula.
Inference of biological networks using Bi directional Random Forest Granger causality
Venue: SpringerPlus

The standard ordinary least squares based Granger causality is one of the widely used methods for detecting causal interactions between time series data. However, recent developments in technology limit the utilization of some existing implementations due to the availability of high dimensional data. In this paper, we are proposing a technique called Bi directional Random Forest Granger causality. This technique uses the random forest regularization together with the idea of reusing the time series data by reversing the time stamp to extract more causal information. We have demonstrated the effectiveness of our proposed method by applying it to simulated data and then applied it to two real biological datasets, i.e. fMRI and HeLa cell. fMRI data was used to map brain network involved in deductive reasoning while HeLa cell dataset was used to map gene network involved in cancer.
Systemic Radioligand Therapy with (177)Lu Labeled Prostate Specific Membrane Antigen Ligand for Imaging and Therapy in Patients with Metastatic Castration Resistant Prostate Cancer.
Venue: The Journal of urology

We report our initial clinical experience with b emitting (177)Lu PSMA I&T (177)Lu labeled prostate specific membrane antigen ligand for imaging and therapy) for systemic treatment of metastatic castration resistant prostate cancer.  Patients with metastatic castration resistant prostate cancer who experienced treatment failure with chemotherapy and novel androgen receptor targeted therapy were treated for 8 weeks with up to 4 cycles of (177)Lu PSMA I&T. We report safety data, the antitumor response with prostate specific antigen decreases and the radiographic tumor response as well as the clinical outcome with changes in ECOG (Eastern Cooperative Oncology Group) performance status and pain severity.  The first 3 patients were treated with a lower activity of 3.7 GBq in cycle 1. Due to a favorable safety profile the activity was increased to 7.4 GBq in 19 subsequent patients who completed a total of 40 cycles. With the higher activity no grade 3/4 toxicities were observed. The main nonhematological and hematological grade 1/2 toxicities were dry mouth in 7 patients (37% anemia in 6 (32% and thrombopenia in 5 (25% The proportion of patients who achieved a maximum prostate specific antigen decrease of 30% or greater, 50% or greater and 90% or greater was 56% 33% and 11% respectively. Combined assessment of bone and soft tissue metastases showed complete remission in 5% of patients, stable disease in 63% and progressive disease in 32% ECOG performance status improved or was stable in 74% of patients. Of men with bone pain 58% achieved complete resolution or reduced pain.  Radioligand therapy with (177)Lu PSMA I&T appears to be safe and active in heavily pretreated patients with metastatic castration resistant prostate cancer.
Optimization of Prussian Blue Coated NaDyF4:x%Lu Nanocomposites for Multifunctional Imaging Guided Photothermal Therapy

Imaging guided photothermal therapy based on functional nanomaterials has recently received significant attention and the selection of functional materials with optimal imaging and therapy effect is extremely important. In this work, NaDyF4 based nanoparticles with varying size are synthesized by doping with different amounts of lutetium ions. To obtain an optimized material, the influence factor of magnetic resonance, X ray attenuation, and photothermal properties are discussed in detail. Then, NaDyF4:50%Lu@Prussian blue (PB) nanocomposite is selected as the optimal functional material for T1 and T2 weighted magnetic resonance imaging, X ray computed tomography, and photothermal imaging guided photothermal therapy of tumor on a small animal model, and the treatment is applied with good results. Studies also suggest that the NaDyF4:50%Lu@PB nanocomposites are biocompatibile. The selection of an optimal material from a multi perspective study has provided an incentive for the development of an assortment of novel multifunctional materials for early cancer multifunctional diagnosis and imaging guided photothermal therapy.
Strengths and limitations of zircon Lu Hf and O isotopes in modelling crustal growth

The robust nature of the mineral zircon, combined with our analytical ability to readily acquire in situ uranium lead (U Pb) lutetium hafnium (Lu Hf) and oxygen (O) isotopic data, has resulted in a rapid rise in the use of zircon isotopic datasets for studying both the generation of continental crust and its growth through Earth history. In such studies there has been a strong focus on developing methods to determine the timing and/or proportion of juvenile magmatic addition to the continental crust. One widespread approach to determine the timing of crustal growth has been the construction or fitting of 'reworking arrays' to regional Hf isotopic datasets. Simple stochastic models are presented which highlight that in many cases apparent reworking arrays are much more likely to represent a process of on going dilution and refertilisation of ancient crust, consistent with "Hot Zone" models of granitoid generation and the need to refertilise lower crustal reservoirs to maintain magmatism. A new compilation of magmatic rock zircon Lu Hf and O isotope data is used to demonstrate that the use of mantle like O isotope data as a screening tool for "meaningful" Hf model ages is also unlikely to be reliable, with independently constrained data indicating that as few as 14% of Hf model ages provide a meaningful indicator of the timing of crustal growth. The limitations of Hf model ages are discussed with regard to existing approaches for continental growth and we demonstrate that popular inverse modelling approaches suffer from a bias created by both the use of model ages and numerical artefacts. In an effort to address some of the limitations within existing models, we develop stochastic models based on joint calibration of multiple datasets which allow for more unique solutions.
Performance, prediction, and optimization of night ventilation across different climates: an assessment of mechanical and natural night ventilation

Author(s) Landsman, Jared; Brager,  This paper describes the performance, in terms of indoor environmental conditions, of three buildings from both the U.S. and India that use night ventilation as their primary cooling method. The first building, located in Oakland, California, uses forced ventilation at night to increase the airflow. The second building, located in Sunnyvale, California, uses automated natural ventilation at night. The third building, in Auroville, India, uses natural ventilation by means of occupant controlled windows. The analysis is based on three months, two months, and a full year of monitored data collected from each building, respectively, of indoor and outdoor conditions. The indoor conditions of each building were first tested for compliance with comfort standards in the US and India. A hybrid model was then developed, using both first principle equations and the collected data, to predict the instantaneous air and mass temperatures within each building. The cooling strategy effectiveness was then assessed by comparing indoor conditions from days that did and did not use night ventilation, comparing performance across the different climates and types of night flushing. Finally, the ventilation controls for each building were optimized using the hybrid model.