bluuebunny/crossref_metadata_2025 huggingface dataset:
Metal‐Free g‐C3N4/Graphite Composite Based Carbocatalyst for Epoxidation of Styrene
Authors: Dogra Ashima , Kumar Anil , Kapoor Mohit , Gupta Neeraj
Published: July 2021

Tuning graphitic surface with nitrogen functionalities renders potential carbocatalysts for a wide range of reactions. Herein, g‐C3N4/graphite composite material (g‐C3N4@G) is reported for oxidation of styrene to styrene oxide. The detailed physiochemical properties of g‐C3N4@G are investigated by X‐ray photoelectron spectroscopy (XPS), Transmission electron microscopy (TEM), Scanning electron microscopy (SEM), X‐ray diffraction (XRD) and Fourier transmission infrared spectroscopy (FTIR) analysis. The TEM and SEM micrographs indicate the formation of g‐C3N4 sheets and N1s XPS results confirm the formation of g‐C3N4 on the graphitic surface. The role of specific catalytic sites is experimentally studied by the use of model catalysts those mimic the functional groups on the surface of g‐C3N4@G. It is suggested that the catalytic sites on the surface showcase a synergeistic effect, with sp2 hybridized N site being most selective for styrene oxide.
Oxamide Derivatives as Potent α‐Glucosidase Inhibitors: Design, Synthesis, In Vitro Inhibitory Screening and In Silico Docking Studies
Authors: Malik Naseema Perveen , Naz Maira , Ashiq Uzma , Jamal Rifat A. , Gul Sana , Saleem Faiza , Khan Khalid M. , Yousuf Sammer
Published: July 2021

Diabetes mellitus (DM) is a well‐known progressive endocrine disorder and has become a serious worldwide medical concern stimulating the search for new therapeutic agents. In the current study, nitrogen and oxygen based twenty oxamide derivatives were synthesized and their potential to inhibit α‐glucosidase enzyme was studied. Oxamides were synthesized using oxalyl chloride and corresponding aniline in 1 : 2 ratio in basic medium. Structures of these compounds were determined by mass spectrometry, various spectroscopic techniques such as 1H‐NMR, and IR spectroscopy as well as X‐ray diffraction studies. Additionally, computational approach was applied for the calculation of vibrational frequencies of oxamide derivatives and both techniques showed comparable results. Good to moderate inhibitory activities were observed for all synthetic derivatives against α‐glucosidase enzyme. Off twenty (20), nine (9) compounds were found to exhibit good inhibitory activities (IC50 ranges in between 38.2‐75.8 μM) when compared with the standard 1‐deoxynojirimycin (DNJ) with IC50=425.6±1.3 μM. Molecular docking studies were performed for the evaluation of binding mechanism of oxamide compounds in the pocket of α‐glucosidase enzyme. Docking scores based on EADock score, inhibitory activities and docking energies showed similar trend of inhibition.Introduction
Constructing CuBi2O4/Ag3PO4 Photocatalyst with Improved Photocatalytic Performance for the Degradation of Tetracycline under Visible‐Light Irradiation
Authors: Ding Meng , Chen Xuehang , Ma Xiaoran , Liu Yutong , Wang Xiao , Xu Xijin
Published: July 2021

Constructing highly efficient heterojunction photocatalyst is vital but difficult for solving the environmental crises. The CuBi2O4/Ag3PO4 photocatalyst has been synthesized by hydrothermal and solution precipitating method. The fabricated CuBi2O4/Ag3PO4 composite exhibits improved property for the degradation of tetracycline (TC) and nearly 80 % of TC (50 mg/L) is degraded within 30 min, especially its rate constant (k=0.04366 min−1) is about 13.48 and 1.63 times higher than those of pure CuBi2O4 (0.003240 min−1) and Ag3PO4 (0.02676 min−1). The excellent photocatalytic performance was attributed to the heterojunction interfaces and the effective separation of the photo‐generated carriers driven by the reasonable energy band alignment in the heterostructure. The CuBi2O4/Ag3PO4 composite displays good stability, and the present of different inorganic ions has rather small effect on the degradation of TC. A possible photocatalytic mechanism of CuBi2O4/Ag3PO4 composite is proposed based on the active species trapping experiment. It proves that the CuBi2O4/Ag3PO4 composite has potential application in environmental remediation.
Synthesized Two New Water‐Soluble Fluorescents Calix[4]arene 4‐sulfo‐1,8‐naphthalimide Derivatives Inhibit Proliferation of Human Colorectal Carcinoma Cells
Authors: Yildirim Ayse , Karakurt Serdar , Yilmaz Mustafa
Published: July 2021

Synthesis of 1,8‐naphthalimide derivatives and biochemical studies using them as anti‐cancer and cellular imaging agents have attracted significant attention in recent years. This study aimed to synthesize two new fluorescent narrow rim‐functionalized 4‐sulfo‐1,8‐naphthalimide derivatives of calix[4]arenes (4 and 7) and examination of their cytotoxic properties for cancerous cells. For this purpose, p‐tert‐butylcalix[4]arene bearing dihydrazide (3) or diaminopropyl (6) units on its narrow rim were reacted with 4‐sulfo‐1,8‐naphthalic anhydrate. The structure of these synthesized compounds has been characterized using 1H‐NMR, 13C‐NMR, and FTIR techniques. To investigate the anti‐cancer properties, compounds 4, 7, and N,N‐dimethylaminoethyl‐1,8‐naphthalimide (8) were tested on the human colorectal cancer cell line (DLD‐1) as well as healthy colon epithelial cell line (CCD‐18Co). The IC50 values of 4 and 7 were determined as 12.95 μM and 16.13 μM, respectively, on DLD‐1 cells. Furthermore, following the treatment of CCD‐18Co cells with 4 and 7, the IC50 values were determined as 508 μM and 269 μM, respectively. However, it was observed that compound 8 had no cytotoxic effect on both DLD‐1 cells and CCD‐18Co cells. Furthermore, the fluorescence imaging of human colorectal cancer cells treated with the synthesized compounds (4, 7, and 8) was performed on living cells.
Enhanced Electrochemical Performance of 5V LiNi0.5Mn1.5‐xZrxO4 Cathode Material for Lithium‐Ion Batteries
Authors: Gong Jiajia , Fu Shaoxiong , Zhang Yuan , Yan Shuaipeng , Lang Yaqiang , Guo Jianling , Wang Li , Liang Guangchuan
Published: July 2021

Series of LiNi0.5Mn1.5‐xZrxO4 (x=0, 0.0025, 0.005, 0.01, 0.02) samples have been prepared by a combined coprecipitation‐hydrothermal method followed by two‐step calcination. The effects of Zr4+ doping contents on the structure, morphology and electrochemical properties are studied. The results show that Zr4+ doping reduces Mn3+ content and Ni/Mn disordering degree. Additionally, Zr4+ doping reduces primary particle size and agglomeration degree. More significantly, Zr4+ doping leads to the appearance of higher‐surface‐energy {110} and/or {311} facets, while undoped sample only consists of {111} and {100} facets. But excessive Zr4+ doping (x=0.02) leads to the decrease of higher‐surface‐energy facets. Electrochemical results show that appropriate Zr4+ doping improves the rate and cycling performances of LiNi0.5Mn1.5O4 material. Among them, LiNi0.5Mn1.495Zr0.005O4 shows the optimal electrochemical performance, which can be attributed to high phase purity, high crystallinity, appropriate primary particle size and agglomeration degree, enlarged lattice constant, and greater exposure of {110} and/or {311} facets.
Highly Selective and Sensitive Sulfonylhydrazone Type Fluorescent Probe for Rapid Detection of Mercury(II) and Its Application in Logic Gate and Adsorption
Authors: Xue Songsong , Xie Zhengfeng , Wen Yiping , He Jiawei , Liu Yucheng , Shi Wei
Published: July 2021

In this study, 4‐bromotriphenylamine, 5‐formaldehyde thiophene‐2‐boronic acid and benzenesulfonyl hydrazide were used as materials to synthesize a novel type of Schiff base fluorescent probe molecule N′‐((5‐(4‐(diphenylamino)phenyl)thiophen‐2‐yl)methylene)benzenesulfonohydrazide (BS), and its structure was characterized by nuclear magnetic resonance (NMR) and high resolution mass spectrometry (HR‐MS). BS exhibited excellent solvatochromic effect and aggregation‐induced emission enhancement, and had rapid recognition, high selectivity and specificity for Hg2+, the detection limit was as low as 2.84×10−8 M, and the response time is only 15 s. It has passed the 1H NMR titration experiment verified its possible response mechanism. Through the good reversible performance of BS, molecular logic gate was constructed with Hg2+ and EDTA as chemical inputs. In practical applications, polyacrylamide (PAM) doped BS (PAM‐BS) could achieve high‐efficiency adsorption of Hg2+, with a removal rate of 99.93 %, and the microscopic morphology and element changes before and after PAM‐BS adsorption were compared by SEM‐EDS.
Colorimetric Detection of Cholesterol Based on the Peroxidase‐Like Activity of Metal‐Organic Framework MIL‐101(Cr)
Authors: Liu Luying , Wang Jingshan , Wang Jing , Wu Jiating , Wu Shuping , Xie Lijun
Published: July 2021

Efficient quantitative determination of cholesterol has important application value in drug testing and clinical diagnosis of cardiovascular diseases. In this work, a metal‐organic framework MIL‐101(Cr) (MIL=Materials of Institute Lavoisier) was synthesized and developed as a peroxidase mimic for colorimetric detection of cholesterol. Kinetic analysis indicated that the MIL‐101(Cr) nanoparticles showed a higher Vmax (2.27*10−7 MS−1) and a lower Km (0.07 mM) than the natural horseradish peroxidase (HRP). An effective colorimetric sensor has been proven to detect cholesterol. Based on the outstanding catalytic activity, the colorimetric sensor displayed a linear response for cholesterol in the concentration range from 1.1 μM to 22.9 μM and the detection limit as low as 0.86 μM. Furthermore, the proposed method based on MIL‐101(Cr) nanoparticles showed a favorable reproducibility and recovery. The sensor had been successfully applied to determine serum cholesterol level in mice and human, respectively.
Entrepreneurial learning and strategic foresight
Authors: Peterson Aticus , Wu Andy
Published: July 2021

Research Summary

We study how learning by experience across projects affects an entrepreneur's strategic foresight. In a quantitative study of 314 entrepreneurs across 722 crowdfunded projects supplemented with a program of qualitative interviews, we counterintuitively find that entrepreneurs make less accurate predictions as they gain experience executing projects: they miss their predicted timeline to bring a product to market by nearly six additional weeks on each successive project. Although learning should improve prediction accuracy in principle, we argue that entrepreneurs also learn of opportunities to augment each successive product, which drastically expands the interdependencies beyond what an entrepreneur can anticipate. We find that entrepreneurs encounter more unforeseen interdependencies in their subsequent projects, and they sacrifice on‐time delivery to address these interdependencies.

Managerial Summary

Entrepreneurs consistently struggle to set timelines that they can meet. And, counterintuitively, accumulating experience can actually make this problem even worse: experienced entrepreneurs can miss timelines by even wider margins on subsequent projects. In our study of crowdfunding entrepreneurs launching hardware technology products, we find that entrepreneurs fail to anticipate how many more things can go wrong when they do something even just a little bit more challenging on their next project. In other words, the number of unknown unknowns in a project increases very rapidly even when making only simple improvements on a product. We argue that entrepreneurs can more accurately predict their timelines by intentionally accounting for the rapid increase in things that can go wrong.
Advances in Si and SiC Materials for High‐Performance Supercapacitors toward Integrated Energy Storage Systems
Authors: Nguyen Tuan Kien , Aberoumand Sadegh , Dao Dzung Viet
Published: July 2021

Silicon (Si), as the second most abundant element on Earth, has been a central platform of modern electronics owing to its low mass density and unique semiconductor properties. From an energy perspective, all‐in‐one integration of power supply systems onto Si‐based functional devices is highly desirable, which inspires significant study on Si‐based energy storage. Compared to the well‐known Si‐anode Li‐ion batteries, Si‐based supercapacitors possess high power density, long life, and simple working mechanisms, which enables their ease of integration onto a wide range of devices and applications. Besides Si, silicon carbide (SiC), as a physicochemically stable wide‐bandgap semiconductor, also attracts research attention as an energy storage material in harsh environments. In this review, a detailed overview of latest advances in materials design, synthesis methods, and performances of Si‐based and SiC‐based supercapacitors will be provided. Some successful integrated devices, future perspectives, and potential research directions are also highlighted and discussed.
Quantitative Förster Resonance Energy Transfer: Efficient Light Harvesting for Sequential Photo‐Thermo‐Electric Conversion
Authors: Fu Kuo , Zeng Xiaoxuan , Zhao Xinpeng , Wu Yue , Li Meng , Li Xin‐Shun , Pan Chengjun , Chen Zhijun , Yu Zhen‐Qiang
Published: July 2021

Light is essential to all life on the earth. Thus, highly efficient light‐harvesting systems with the sequential energy transfer process are significant for using solar energy in photosynthesis. For developing an efficient light‐harvesting system, a liquid aggregation‐induced emission (AIE) dye TPE‐EA is obtained, as a donor and solvent, which can light up the aggregation caused quenching (ACQ) Nile Red (NiR, acceptor) to construct a quantitative Förster resonance energy transfer (FRET) system in NiR⊂TPE‐EA. Impressively, this FRET pair shows an impressive photothermal effect, producing a peak temperature of 119 °C while excited by UV light, with 37.8% of conversion efficiency. NiR⊂TPE‐EA is quite different from most other photothermal materials, which require excitation with long wavelength light (>520 nm). Therefore, NiR⊂TPE‐EA firstly converts the solar into thermal energy and then into electric energy to achieve sequential photo‐thermo‐electric conversion. Such sequential conversion, suitable for being excited by sunlight, is anticipated to unlock new and smart approaches for capturing solar energy.
Enhancing the Involvement Load Hypothesis as a Tool for Classroom Vocabulary Research
Authors: Hazrat Mandana , Read John
Published: July 2021

The Involvement Load Hypothesis (ILH) is a framework for designing vocabulary‐learning tasks which was proposed by Batia Laufer and Jan Hulstijn in 2001. It assumes that task effectiveness depends on three components induced by a task: a motivational component (need) and two cognitive components (search and evaluation). The hypothesis has been investigated in numerous studies, which have provided varying degrees of support for it. This article reviews the ILH 20 years after it was first proposed and addresses issues arising from the research. The first category of issues is related to the assumptions of the hypothesis, including uncertainty about the relative weight of the components, lack of evidence regarding the effect of the distribution of the components, and the limited range of scores available to assign to tasks. The second category involves variables affecting the predictive ability of the hypothesis, including time on task, level of proficiency, and frequency of exposure. Two studies, which investigated these issues, are discussed. One of them suggested extending evaluation, clarifying the role of search, and redefining need to solve the issues related to the assumptions. The other revealed the effects of the variables in addition to showing the usefulness of the framework for predicting task effectiveness and the relative weight of the components. Issues that remained unresolved are discussed.
Feasibility study on prepolarized surface nuclear magnetic resonance for soil moisture measurements
Authors: Hiller Thomas , Costabel Stephan , Radić Tino , Dlugosch Raphael , Müller‐Petke Mike
Published: July 2021

In the past few years, small‐scale (2 m) prepolarized surface nuclear magnetic resonance (SNMR) has gained increasing interest in the research community. As recent studies demonstrated, the application of a strong prepolarization field enhances the SNMR signal of coils with a footprint <1 m2 up to a level that even enables investigations in urban areas. In particular, it is expected that this noninvasive method provides the soil moisture distribution in the upper 2 m of the subsurface in the near future. However, until now all field experiments have been carried out on water reservoirs only, in an approach to test and implement this rather new technique into the field of SNMR applications. We present the first prepolarized SNMR measurement on a real soil and demonstrate the general feasibility of this technique to qualitatively and quantitatively detect soil moisture in the upper first 0.5 m. Our soil moisture measurements are validated by independent time domain reflectometry data. To complement the field experiments with numerical simulations, we adapted the underlying SNMR spin dynamics simulations and account for prepolarization switch‐off effects in the forward modeling of the SNMR excitation.
Atmospheric aerosols analysis and identification of polluting sources in the industrial city of Arak, Iran
Authors: Gholami Hatam Ebrahim , Chegeni Elham
Published: July 2021

Total suspended particulates (TSP) were collected in the industrial city of Arak, Iran, during the windy and cold seasons of 2018–2019 to investigate the air pollution sources. The associated elements were analyzed by particle‐induced X‐ray emission technique. The major elements detected in the samples were Mg, Al, Si, S, Cl, K, Ca, Ti, Mn, Fe, Co, Cu, and Zn. In this investigation, the time trend, monthly and seasonal variations, the correlation between the elemental concentrations, and the sources of air pollution were evaluated. An increase in the concentrations of Zn, Ti, and Fe was seen in winter due to temperature inversions. The highest correlation coefficients were found between soil dust key elements, Fe–Si, Ca–S, Ca–Fe, Ca–Si, and Al–Si. From the aerosols time trend concentration and the wind map direction, it was identified that there are northwesterly winds bringing desert dusts to the sampling site. The statistical positive matrix factorization model in combination with correlation coefficient and enrichment factor values were used to identify the sources of air pollution. It was deduced that the soil dusts, machining and assembling activities, industrial salts, vehicle, aluminum metallurgy, and petrochemical productions were the main contribution to the detected TSP concentration.
Sequential deconfinement in 3d $$ \mathcal{N} $$ = 2 gauge theories
Authors: Benvenuti Sergio , Garozzo Ivan , Lo Monaco Gabriele
Published: July 2021

Abstract

We consider 3d$$ \mathcal{N} $$
N
= 2 gauge theories with fundamental matter plus a single field in a rank-2 representation. Using iteratively a process of “deconfinement” of the rank-2 field, we produce a sequence of Seiberg-dual quiver theories. We detail this process in two examples with zero superpotential: Usp(2N) gauge theory with an antisymmetric field and U(N) gauge theory with an adjoint field. The fully deconfined dual quiver has N nodes, and can be interpreted as an Aharony dual of theories with rank-2 matter. All chiral ring generators of the original theory are mapped into gauge singlet fields of the fully deconfined quiver dual.
Distortion of a polycrystalline Al bar in a vice fixture: molecular dynamics analysis of grain movement and rotation
Authors: Vardanyan Vardan Hoviki , Linke Barbara S. , Urbassek Herbert M.
Published: July 2021

The deformation of a nano-sized polycrystalline Al bar under the action of vice plates is studied using molecular dynamics simulation. Two grain sizes are considered, fine-grained and coarse-grained. Deformation in the fine-grained sample is mainly caused by grain-boundary processes which induce grain displacement and rotation. Deformation in the coarse-grained sample is caused by grain-boundary processes and dislocation plasticity. The sample distortion manifests itself by the center-of-mass motion of the grains. Grain rotation is responsible for surface roughening after the loading process. While the plastic deformation is caused by the loading process, grain rearrangements under load release also contribute considerably to the final sample distortion.
Möglichkeiten und Grenzen der forensischen DNA-Analyse unter dem Gesichtspunkt verschiedener Szenarien zur Spurenentstehung
Authors: Vennemann Marielle , Oppelt Claus , Grethe Stefanie , Anslinger Katja , Fimmers Rolf , Schneider Harald , Hohoff Carsten , Eckert Martin , Rothämel Thomas , Schneider Peter M. ,   als Mitglieder der Spurenkommission, der gemeinsamen Kommission rechtsmedizinischer und kriminaltechnischer Institute
Published: July 2021

Die forensische DNA-Analyse hat sich in den letzten Jahrzehnten mit zunehmender Sensitivität und gleichzeitiger Standardisierung der Methodik zu einem festen Bestandteilteil der Strafverfolgung entwickelt. Dank der ständigen Verbesserung der Analysemethoden ist es zwischenzeitlich nahezu selbstverständlich, immer kleinere, latente DNA-Spuren erfolgreich zu typisieren. Dies führt mehr und mehr zu einer Verlagerung der Sachverständigentätigkeit in die Bewertung komplexer Spurenszenarien im Rahmen einer Hauptverhandlung: Anstelle der Zuordnung einer Spur zu einer Person rückt die Spurenentstehung bzw. die Möglichkeit eines DNA-Transfers ohne Bezug zu einer strafrechtlich relevanten Handlung in den Fokus der Diskussion. Aus Sicht der Deutschen Spurenkommission erscheint es notwendig, das Bewusstsein für mögliche alternative Szenarien zur Spurenentstehung zu schärfen. Zur Einordnung eines DNA-Ergebnisses in den Kontext der übrigen Sachbeweise eines konkreten Fallszenarios wird im vorliegenden Beitrag das bereits in der internationalen Fachliteratur seit geraumer Zeit etablierte Konzept der „Hierarchie der Hypothesen“ vorgestellt. Darüber hinaus werden die wissenschaftlichen Grundlagen zur Bewertung alternativer Szenarien des DNA-Transfers erläutert und gleichzeitig die Möglichkeiten und Grenzen einer gutachterlichen Stellungnahme dargestellt.
Spectrum and convergence of eventually positive operator semigroups
Authors: Arora Sahiba , Glück Jochen
Published: July 2021

An intriguing feature of positive$$C_0$$C0-semigroups on function spaces (or more generally on Banach lattices) is that their long-time behaviour is much easier to describe than it is for general semigroups. In particular, the convergence of semigroup operators (strongly or in the operator norm) as time tends to infinity can be characterized by a set of simple spectral and compactness conditions. In the present paper, we show that similar theorems remain true for the larger class of (uniformly) eventually positive semigroups—which recently arose in the study of various concrete differential equations. A major step in one of our characterizations is to show a version of the famous Niiro–Sawashima theorem for eventually positive operators. Several proofs for positive operators and semigroups do not work in our setting any longer, necessitating different arguments and giving our approach a distinct flavour.
Optimal bidding functions for renewable energies in sequential electricity markets
Authors: Finnah Benedikt
Published: July 2021

In most modern energy markets, electricity is traded in pay-as-clear auctions. Usually, multiple sequential markets with daily auctions, in which each hourly product is traded separately, coexist. In each market and for each traded hour, each power producer and consumer submits multiple price and volume combinations, called bids. After all bids are submitted by the market participants, the market-clearing price for each hour is published, and the market participants must fulfill their accepted commitments. The corresponding decision problem is particularly difficult to solve for market participants with stochastic supply or demand. We formulate the energy trading problem as a dynamic program and derive the optimal bidding functions analytically via backward recursion. We demonstrate that, for each hour and market, the optimal bidding function is completely defined by two bids. While we focus on power producers with stochastic supply (e.g., wind or solar), our model is applicable to power consumers with stochastic demand, as well. The optimal policy is applicable in most liberalized energy markets, virtually independent of the structure of the underlying electricity price process.
Use and caregiver-reported efficacy of medical cannabis in children and adolescents in Switzerland
Authors: Zürcher Kathrin , Dupont Carole , Weber Peter , Grunt Sebastian , Wilhelm Ilca , Eigenmann Daniela E. , Reichmuth Martina L. , Fankhauser Manfred , Egger Matthias , Fenner Lukas
Published: July 2021

Evidence on the use and efficacy of medical cannabis for children is limited. We examined clinical and epidemiological characteristics of medical cannabis treatment and caregiver-reported effects in children and adolescents in Switzerland. We collected clinical data from children and adolescents (< 18 years) who received Δ9-tetrahydrocannabinol (THC), cannabidiol (CBD), or a combination of the two between 2008 and 2019 in Switzerland. Out of 205 contacted families, 90 agreed to participate. The median age at the first prescription was 11.5 years (interquartile range (IQR) 6–16), and 32 patients were female (36%). Fifty-one (57%) patients received CBD only and 39 (43%) THC. Patients were more likely to receive THC therapy if one of the following symptoms or signs were present: spasticity, pain, lack of weight gain, vomiting, or nausea, whereas seizures were the dominant indication for CBD therapy. Improvements were reported in 59 (66%) study participants. The largest treatment effects were reported for pain, spasticity, and frequency of seizures in participants treated with THC, and for those treated with pure CBD, the frequency of seizures. However, 43% of caregivers reported treatment interruptions, mainly because of lack of improvement (56%), side effects (46%), the need for a gastric tube (44%), and cost considerations (23%).

Conclusions: The effects of medical cannabis in children and adolescents with chronic conditions are unknown except for rare seizure disorders, but the caregiver-reported data analysed here may justify trials of medical cannabis with standardized concentrations of THC or CBD to assess its efficacy in the young.

What is Known:• The use of medical cannabis (THC and CBD) to treat a variety of diseases among children and adolescents is increasing.• In contrast to adults, there is no evidence to support the use of medical cannabis to treat chronic pain and spasticity in children, but substantial evidence to support the use of CBD in children with rare seizure disorders.

What is New:• This study provides important insights into prescription practices, dosages, and treatment outcomes in children and adolescents using medical cannabis data from a real-life setting.• The effects of medical cannabis in children and adolescents with chronic conditions shown in our study support trials of medical cannabis for chronic conditions.
Mixed oxide growth on combinatorial aluminium–gadolinium alloys — a thermodynamic and first-principles approach
Authors: Shahzad Khurram , Mardare Cezarina Cela , Mardare Andrei Ionut , Hassel Achim Walter
Published: July 2021

Metal surfaces covered with oxides have attracted considerable scientific attention in various applications. In particular, anodic films fabricated by cost-effective anodizing have been widely used in nano-structured engineering to provide various surface functionalities. However, understanding of alloy film stability, having individual elements with widely varying structures and morphologies, is very limited due to lack of thermodynamic information and effects of electrolyte chemistry. This requires many tedious efforts on a trial and error basis in selecting suitable electrolytes that can produce the protective film at high efficiency on alloys having mixed chemistries. It is, therefore, crucial to develop a combination of high throughput theoretical analysis and automated rapid localized electrochemical probing that provides a fast and simple solution for electrolyte choice and paves the way to the remarkable expansion of industrial applications of oxides. Herein, we demonstrate that combinatorial Al–Gd alloys covering 1.0 to 10.0 at.% Gd can be oxidized into ultra-thin anodic films of controlled thickness through a selection of electrolyte based on thermodynamics (phosphate buffer with a pH of 8.20). We propose that growth of anodic films on alloys at high efficiency is possible if Gibbs free energy minimization criteria would be systematically contemplate.

Graphical abstract
Simplifying the interpretation of continuous time models for spatio-temporal networks
Authors: Gadd Sarah C. , Comber Alexis , Gilthorpe Mark S. , Suchak Keiran , Heppenstall Alison J.
Published: July 2021

Autoregressive and moving average models for temporally dynamic networks treat time as a series of discrete steps which assumes even intervals between data measurements and can introduce bias if this assumption is not met. Using real and simulated data from the London Underground network, this paper illustrates the use of continuous time multilevel models to capture temporal trajectories of edge properties without the need for simultaneous measurements, along with two methods for producing interpretable summaries of model results. These including extracting ‘features’ of temporal patterns (e.g. maxima, time of maxima) which have utility in understanding the network properties of each connection and summarising whole-network properties as a continuous function of time which allows estimation of network properties at any time without temporal aggregation of non-simultaneous measurements. Results for temporal pattern features in the response variable were captured with reasonable accuracy. Variation in the temporal pattern features for the exposure variable was underestimated by the models. The models showed some lack of precision. Both model summaries provided clear ‘real-world’ interpretations and could be applied to data from a range of spatio-temporal network structures (e.g. rivers, social networks). These models should be tested more extensively in a range of scenarios, with potential improvements such as random effects in the exposure variable dimension.
A direct method for the identification of patterns of care using administrative databases: the case of breast cancer
Authors: Busco Susanna , Tavilla Andrea , Gigli Anna , Lopez Tania , Pierannunzio Daniela , Mallone Sandra , Guzzinati Stefano , Capodaglio Giulia , Giusti Francesco , Angiolini Catia , Francisci Silvia
Published: July 2021

Objectives

To identify and provide lists of procedures and drugs related to diagnosis and treatment of breast cancer. These lists can be used for the estimation of the cost of illness.

Methods

The method consists of identifying lists of procedures/interventions/drugs related to the tumour of interest, drawn by a panel of expert clinicians and oncologists on the basis of clinical guidelines and current practice. The lists are applied to data referring to breast cancer female patients, collected by population-based Cancer Registries and linked at individual level with information on health care treatments. A comparison with lists obtained via the matched control method is implemented.

Results

The distribution of administered procedures and drug prescriptions is coherent with the patient clinical pathway: surgery is the main cause of hospitalization in the first year since diagnosis, diagnostic and monitoring interventions are more frequent in the following years (recurrences detection), and at end-of-life (palliative care). Most outpatient services are due to diagnosis and monitoring, one third of services in the first year since diagnosis is radiotherapy and chemotherapy. Drugs prescribed to patients and sold in pharmacy include hormonal drugs as first course treatment and analgesics as palliative care.

Conclusions

This direct method represents a valid alternative to the matched control method in describing patterns of care and costs related to the entire disease pathway. It is particularly suitable in case of cancer sites with complex patterns of care, such as breast cancer. The lists of codes developed here are based on international classification systems and can be easily applicable to other countries.
Recommender systems in model-driven engineering
Authors: Almonte Lissette , Guerra Esther , Cantador Iván , de Lara Juan
Published: July 2021

Recommender systems are information filtering systems used in many online applications like music and video broadcasting and e-commerce platforms. They are also increasingly being applied to facilitate software engineering activities. Following this trend, we are witnessing a growing research interest on recommendation approaches that assist with modelling tasks and model-based development processes. In this paper, we report on a systematic mapping review (based on the analysis of 66 papers) that classifies the existing research work on recommender systems for model-driven engineering (MDE). This study aims to serve as a guide for tool builders and researchers in understanding the MDE tasks that might be subject to recommendations, the applicable recommendation techniques and evaluation methods, and the open challenges and opportunities in this field of research.
Predatory mite instars (Acari, Mesostigmata) and decomposing tree leaves in mixed and monoculture stands growing on a spoil heap and surrounding forests
Authors: Urbanowski Cezary K. , Horodecki Paweł , Kamczyc Jacek , Skorupski Maciej , Jagodziński Andrzej M.
Published: July 2021

In the past, ecological research mainly omitted the sexual and developmental variability of mite communities, and therefore could not fully reflect the actual state and function of mite communities in the ecosystems studied. The aim here was to analyze how habitat conditions (mixed vs. monoculture stands) and single-species litter of 14 tree species (in mixed stands) affect the sex and developmental stages of Mesostigmata mites living on the decomposing litter. The research was conducted in 2011–2016, at the Bełchatów Lignite Mine external spoil heap (Central Poland) in mixed stands growing on the spoil heap, as well as in pine and birch monoculture stands growing on the spoil heap and an adjacent forest area. We found significant influences of habitat on females, males and juveniles. Additionally, we found that soil mean temperature had a significant effect on males and juveniles, but not on females. Moreover, despite the insignificant influence of litter species on mite communities, we found that percentage litter mass loss significantly affected female and juvenile mites. Taking into account habitat type, the percentage litter mass loss significantly affected female and male mites, but not juveniles. The mite abundance calculated per dry litter mass usually gradually increased during decomposition. Interestingly, the highest mean female, male and juvenile abundances were recorded in birch stands growing on the adjacent forest area; however, juvenile mites were also very numerous in mixed stands on spoil heap. Therefore, our results confirm that mixed stands on post-mining areas are a potentially better habitat for development of mesostigmatid communities compared to monocultures, among others by relatively higher humidity and lower temperatures.
The physicochemical effect of sugar alcohol plasticisers on oxidised nanocellulose gels and extruded filaments
Authors: Johns Marcus A. , Nigmatullin Rinat , Cranston Emily D. , Eichhorn Stephen J.
Published: July 2021

Oxidised nanocelluloses have previously shown promise for the production of extruded filaments with high tensile strength properties. However, they also exhibit poor wet strength due to swelling upon immersion in water. This has resulted in the use of chemical cross-linkers, or co-extrusion with multivalent cations, or cationic polymers, to inhibit this. Here, we report on the effect of incorporating sugar alcohols (glycerol, sorbitol and maltitol) in an oxidised nanocellulose gel before extrusion. Whilst their presence weakens the initial gel, they enable the continuous wet spinning of filaments that are stable in aqueous media without the need for post extrusion processing. We conclude that the relative hydrophilicity of the sugar alcohol and its ability to protonate surface carboxyl groups upon drying are key parameters regarding the physicochemical effects observed.
Trends in Wage Inequality in the Netherlands
Authors: Schneck Colja
Published: July 2021

In this paper I analyze changes in the wage distribution in the Netherlands. I use a matched employer-employee dataset that covers the population of employees. Wage inequality increases over the period of 2001–2016. Changes in between-firm wage components are responsible for nearly the entire increase. Increases in the variance of workers’ skills and increases in worker sorting and worker segregation explain the majority of the rise in the variance of wages. These changes are accompanied by a pattern where variation in educational degree and firm average wages become more correlated over time. Finally, it is suggested that labor market institutions in the Netherlands play an important role in mediating overall wage inequality.
The Devil in the (Implicit) Details
Authors: Cinti Enrico , Sanchioni Marco
Published: July 2021

The black hole information loss paradox has long been one of the most studied and fascinating aspects of black hole physics. In its latest incarnation, it takes the form of the firewall paradox. In this paper, we first give a conceptually oriented presentation of the paradox, based on the notion of causal structure. We then suggest a possible strategy for its resolutions and see that the core idea behind it is that there are connections that are non- local for semiclassical physics which have nonetheless to be taken into account when studying black holes. We see how to concretely implement this strategy in some physical models connected to the ER=EPR conjecture.
What would an ‘ideal’ glaucoma examination be like? - A conjoint analysis of patients’ and physicians’ preferences
Authors: Muth Daniel R. , Neubauer Aljoscha S. , Klingenstein Annemarie , Schaller Ulrich , Priglinger Siegfried G. , Hirneiß Christoph W.
Published: July 2021

Purpose

To structurally determine patients’ and physicians’ preferences for glaucoma diagnostic methods in order to improve glaucoma patient care and improve patient compliance with follow-up visits.

Methods

Forty-one patients with glaucoma and 32 ophthalmologists were included in this cross-sectional study. Profiles representing glaucoma examinations were created using conjoint analysis (CA). The following factors of a glaucoma examination method were evaluated: (1) examination comfort, (2) examination frequency, (3) follow-up examination necessary in case of suspicious result, (4) cost for the patient, (5) travel time to examination site, (6) sensitivity and (7) specificity of the examination method.

Results

Preferences were highest in both groups for examination sensitivity, followed by cost and specificity for the patient group. For the physician group, specificity was second most important, followed by cost. Least important was travel time for the patients and follow-up examinations for the physicians.

Conclusions

Participants would rather pay more and travel longer to get a highly sensitive examination. This form of care is present in university eye hospitals. Consequently, it would be advisable to enhance capacities of these centers. Outpatient practices that offer glaucoma service should be fully equipped and should employ a glaucoma specialist.
Willingness of a Multiethnic Immigrant Population to Donate Biospecimens for Research Purposes
Authors: Raines-Milenkov Amy , Felini Martha , Baker Eva , Acharya Rushil , Diese Elvis Longanga , Onsa Sara , Iang Hlawn , Abdi Anab , Akpan Idara , Hussain Arbaz , Wagner Teresa , Hughes Jonathan
Published: July 2021

This cross-sectional study explores the willingness to donate biospecimens for research purposes among six refugee communities in North Texas (spanning Myanmar, Central Africa, Somalia, Nepal, Arabic speaking countries, and others). Participants were asked four questions about biospecimen donation: (1) previously asked to donate, (2) ever agreed to donate, (3) willingness to donate for future research, and (4) what samples they would be willing to donate. Most participants (77%) were willing to donate biosamples for medical research; 58% were willing to donate samples. Fewer refugees from Somalia were willing to donate compared to immigrants from Myanmar, Central Africa, and Nepal (p < 0.01). Participants in the older age group (40 + years) were 3.2 times more likely to be willing for donation of biospecimens than the younger ones (OR 3.22, 95% CI 1.22, 8.55). Findings suggest refugees’ willingness to participate in biospecimen donation which support intentional inclusion of multicultural populations into medical research.
Molecular Imaging Reveals a High Degree of Cross-Seeding of Spontaneous Metastases in a Novel Mouse Model of Synchronous Bilateral Breast Cancer
Authors: Liu Shirley , Nyström Nivin N , Kelly John J , Hamilton Amanda M , Fu Yanghao , Ronald John A
Published: July 2021

Purpose

Synchronous bilateral breast cancer (SBBC) patients present with cancer in both breasts at the time of diagnosis or within a short time interval. They show higher rates of metastasis and lower overall survival compared to women with unilateral breast cancer. Here we established the first preclinical SBBC model and used molecular imaging to visualize the patterns of metastasis from each primary tumor.

Procedures

We engineered human breast cancer cells to express either Akaluc or Antares2 for bioluminescence imaging (BLI) and tdTomato or zsGreen for ex vivo fluorescence microscopy. Both cell populations were implanted into contralateral mammary fat pads of mice (n=10), and dual-BLI was performed weekly for up to day 29 (n=3), 38 (n=4), or 42 (n=3). Primary tumors and lungs were fixed, and ex vivo fluorescence microscopy was used to analyze the cellular makeup of micrometastases.

Results

Signal from both Antares2 and Akaluc was first detected in the lungs on day 28 and was present in 9 of 10 mice at endpoint. Ex vivo fluorescence microscopy of the lungs revealed that for mice sacrificed on day 38, a significant percentage of micrometastases were composed of cancer cells from both primary tumors (mean 37%; range 27 to 45%), while two mice sacrificed on day 42 showed percentages of 51% and 70%.

Conclusions

A high degree of metastatic cross-seeding of cancer cells derived from bilateral tumors may contribute to faster metastatic growth and intratumoral heterogeneity. We posit that our work will help understand treatment resistance and optimal planning of SBBC treatment.
Calcitic-based stones protection by a low-fluorine modified methacrylic coating
Authors: Pargoletti Eleonora , Comite Valeria , Fermo Paola , Sabatini Valentina , Annunziata Luisa , Ortenzi Marco Aldo , Farina Hermes , Cappelletti Giuseppe
Published: July 2021

Atmospheric pollutants, such as NOx, SO2, and particulate matter, together with water percolation inside the stone pores, represent the main causes of cultural heritage decay. In order to avoid these undesired phenomena, the application of protective coatings represents a reliable solution. In this context, the present study focused on the synthesis of low-fluorine content methacrylic-based (MMA) polymeric resins characterized by seven F atoms (namely F7 monomer) in the lateral chains. Four different percentages (1.0, 2.5, 5.0, and 10.0%) of the present monomer were adopted to obtain a final polymeric structure showing the desired hydrophobicity, processability, and structural and thermal stability (even after accelerated UV aging tests). MMA_F7(1.0) seemed to be the optimal one; therefore, it was further applied onto Candoglia marble. Specifically, the treated substrates showed good surface hydrophobicity, water repellency, and water vapor transpirability. No color variation was observed even after a 1.5-year exposure in a real polluted environment (Monza Cathedral). Interestingly, the application of this coating hindered the atmospheric nitrates penetration inside the stones and, at the same time, it limited the sulfates (gypsum) formation, thus revealing a very promising marbles protection resin.
Learning curves in radiological reporting of whole-body MRI in plasma cell disease: a retrospective study
Authors: Negroni Davide , Cassarà Alessia , Trisoglio Alessandra , Soligo Eleonora , Berardo Sara , Carriero Alessandro , Stecco Alessandro
Published: July 2021

Background

The plasma cell disease is been studying by the whole-body MRI technology. However, the time requested to learn this radiological technique is unknown.

Purpose

To esteem, quantitatively and qualitatively, the essential time to learn the whole-body MRI diffusion-weighted imaging with background body signal suppression in patients with plasma cell disease.

Materials and methods

Between January 2015 and February 2017, three readers in-training with different levels of experience examined the anonymised and randomised whole-body MRI images of 52 patients with a diagnosis of plasma cell disease and analysed their morphological (T1w, T2w with and without fat suppression) and functional sequences. Reports of an expert radiologist were considered the standard of reference. Images were analysed in two sessions, during which each reader was timed. Readers reported the number of segments with lesions and staged the disease using the Durie–Salmon PLUS staging system. Weighted Cohen’sĸandZ-test were used to compare the trainees’ reports with those of the expert radiologist, and learning curves were drawn up to show changes between the two sessions.

Results

Weighted Cohen’sĸof number of lesioned segments increased from 0.536 ± 0.123 to 0.831 ± 0.129 (Prob > Zunder 0.005), thus approaching the goal ofĸ > 0.8. Trainees reached the level of experienced radiologist in terms of time by the 33rd patient. Agreement concerning the Durie–Salmon PLUS increased from 0.536 ± 0.123 to 0.831 ± 0.129 (Prob > Zunder 0.005).

Conclusions

The findings of this study demonstrate that whole-body MRI with DWIBS can be learned in about 80 reports and leads to a high level of inter-observer concordance when using the Durie–Salmon PLUS staging system.
Significant Response to Camrelizumab Plus Targeted Drugs in Recurrent Intrahepatic Cholangiocarcinoma: a Case Report and Literature Review
Authors: Huang Peixin , Zhou Yingting , Chen Yi
Published: July 2021

Purpose

Intrahepatic cholangiocarcinoma is the second most common primary liver cancer, and is associated with a poor prognosis and rising incidence rate.

Methods

Here, we reported the case of a middle-aged Asian male who presented with a 9.5-cm liver lesion and was diagnosed with intrahepatic cholangiocarcinoma.

Results

The patient experienced recurrence three times, twice following radical resection and standard adjuvant chemotherapy and once following camrelizumab plus apatinib, after which the tumor progressed with elevated CA 19.9 level. After tissue biopsy for next-generation sequencing, apatinib was replaced by lenvatinib, and the patient achieved disease control again, with a progression-free survival of 10 months.

Conclusion

Combined immunotherapy and targeted therapy regimens are a promising approach for refractory intrahepatic cholangiocarcinoma. Further well-designed prospective clinical trials are needed to confirm the efficacy and safety. Since intrahepatic cholangiocarcinoma is characterized by high heterogeneity and with complex crosstalk among oncogenic pathways, further exploration is required to more deeply understand the mechanism of action of this treatment approach and guide individualized treatment selection.