bluuebunny/crossref_metadata_2025 huggingface dataset:
Pd(0) complex of fuberidazole modified magnetic nanoparticles: A novel magnetically retrievable high‐performance catalyst for Suzuki and Stille C‐C coupling reactions
Authors: Nouri Kheirollah , Ghassemzadeh Mitra , Mohsenzadeh Farshid , Afsharpour Maryam
Published: June 2020

Fuberidazole has been successfully immobilized onto nano‐Fe3O4 supported (3‐chloropropyl)trimethoxysilane (3‐CPTS) leading to a novel functionalized magnetic nanoparticle (FB/MNP). The Pd(0) complex, Pd‐FB/MNP, was prepared by grafting Pd (OAc)2 on FB/MNP and subsequent reduction of a synthesized Pd (II) complex using NaBH4. Pd‐FB/MNP has been characterized by FT‐IR, SEM, TGA, XRD, ICP, EDS, BET and VSM. The Pd(0) complex proved to be an efficient phosphine‐ and halide‐free recyclable heterogeneous catalyst for Suzuki as well as for Stille C‐C coupling reactions showing high catalytic activity (up to 98%). Its catalytic activity in both reactions has been studied in PEG‐400 as a green solvent. Besides, the selectivity of aryl iodide and aryl bromide over aryl chloride is observed during the C‐C coupling reaction. The catalyst could be recovered easily from the reaction mixture using an external magnet device and recycled several times without considerable loss in activity. Additionally, the results of a palladium leaching test of the nano‐catalyst demonstrate that no leaching of Pd took place during the C‐C coupling process making the procedure environmentally friendly.
Reforming of Rice Ash Waste by Incorporated Nanotitania in Silica Framework for Photo‐catalytic Treatment of Wastewater
Authors: El‐Salamony Radwa A. , Hassan Salah A.
Published: June 2020

The nano‐composites based on the burnt rice straw waste, reformed by nano‐TiO2 and copper phthalocyanine (CuPc), namely, RSA‐TiO2, RSA‐CuPc, and RSA‐TiO2‐CuPc were prepared by a mechano‐chemical method. The as‐prepared composite systems were characterized by adopting FE‐SEM, TEM, XRD, FTIR, SBET, and optical techniques. Their photo‐catalytic performance in the degradation of methylene blue dye was evaluated under visible light irradiation. The co‐existence of the two components in RSA, SiO2 and organic carbon, plus the inherently intimate contact between nano‐TiO2 and CuPc could improve the photo‐degradation of MB dye. The complete degradation of MB dye was achieved by using RSA‐TiO2 (50) nano‐composite and the time is taken for 50% degradation of a dye is 53 min under visible light radiation. The kinetic study revealed that photo‐degradation of MB follows a pseudo‐first‐order reaction mechanism, where the kinetic rate constant was 0.013 min−1.
Synthesis and characterization of PEGylated iron and graphene oxide magnetic composite for curcumin delivery
Authors: Abbasi Reza , Mostafavi Amjad Jafar , Nosrati Hamed , Mohammadkhani Ramin , Danafar Hosein
Published: June 2020

Nowadays, nanostructures have been given significant attention in medical and biological fields. Among these nanostructures, graphene oxide (GO) has been widely used in drug delivery systems, because of its unique properties, and the ability to connect to other nanostructures such as magnetic nanoparticles (NPs) as well as polymers by its functional groups. In this research, first, GO was prepared by exfoliating graphite according to the modified Hummer’s method, and then the Fe3O4 NPs were synthesized by a simple co‐precipitation method on GO nanosheets. In the next step, with the help of the ethyl‐3‐(3‐dimethylaminopropyl) carbodiimide/N‐hydroxysuccinimide coupling reagents, the polyethylene glycol (PEG) polymer was bonded to the GO‐Fe3O4 nanocomposite. Finally, anti‐cancer drug, curcumin (Cur) was loaded onto the nanocomposite and the Cur loading ratio was measured at about 8%. The samples were evaluated using Fourier transform‐infrared, differential scanning calorimtery, vibrating‐sample magnetometry, atomic force microscopy and dynamic light scattering techniques. The results show that the prepared nanocomposite is an appropriate candidate for biomedical applications.
Prenatal alcohol exposure induced congenital heart diseases: From bench to bedside
Authors: Chen Zhiyan , Li Sheng , Guo Linghong , Peng Xu , Liu Yin
Published: June 2020

Alcohol consumption is increasing worldwide. Many child‐bearing‐aged women consume alcohol during pregnancy, intentionally or unintentionally, thereby increasing the potential risk for severe congenital diseases. Congenital heart disease (CHD) is the most common birth defect worldwide and can result from both hereditary and acquired factors. Prenatal alcohol exposure (PAE) is considered a key factor that leads to teratogenesis in CHD and its specific phenotypes, especially defects of the cardiac septa, cardiac valves, cardiac canals, and great arteries, adjacent to the chambers, both in animal experiments and clinical retrospective studies. The mechanisms underlying CHD and its phenotypes caused by PAE are associated with changes in retinoic acid biosynthesis and its signaling pathway, apoptosis and defective function of cardiac neural crest cells, disturbance of the Wntβ‐catenin signaling pathway, suppression of bone morphogenetic protein (BMP) signaling, and other epigenetic mechanisms. Drug supplements and early diagnosis can help prevent PAE from inducing CHDs.
Effect of Alkyl Substituents on DPP‐based Small Molecules for Organic Solar Cells
Authors: Lim Eunhee
Published: June 2020

Two diketopyrrolopyrrole (DPP)‐based π‐conjugated small molecules, DPP4T and α‐DPP4T, were synthesized to investigate the effect of alkyl end groups on the physical properties of the molecules. The flexible alkyl end groups resulted in lower phase‐transition temperatures and enhanced solubility of α‐DPP4T. The UV–vis absorption maxima (λmax) of films of both small molecules were blue‐shifted compared with those of solutions of the molecules. More importantly, a relatively larger shift in λmax between the solution and film states and an enhanced shoulder peak in the longer‐wavelength region were observed in the spectra of the α‐DPP4T film, indicating relatively greater intermolecular packing of α‐DPP4T molecules. The enhanced device performance (in particular, a higher short‐circuit current density and better external quantum efficiency profile) of the α‐DPP4T‐based device was explained by the improved film morphology and stronger intermolecular interactions of α‐DPP4T. After device optimization, a power conversion efficiency of 2.42% was achieved using α‐DPP4T.
Quantitative determination of potential genotoxic impurity 3‐aminopyridine in linagliptin active pharmaceutical ingredient using HILIC–UV
Authors: Al‐Sabti Bashar , Harbali Jehad
Published: June 2020

This study aimed to develop an analytical method to determine the quantity of the impurity 3‐aminopyridine (3AP). 3‐Aminopyridine is a reactive reagent in the synthesis of linagliptin. The method was sensitive at level of 30.0 ppm of 3AP relative to linagliptin. The analysis was carried out using hydrophilic interaction liquid chromatography. The analytical column was Tracer Extrasil Silica (150 × 4.0 mm, 3 μm). A mobile phase of water–acetonitrile (10:90, v/v) containing 10.0 mM ammonium acetate was prepared and adjusted to pH 6.0. A UV detector was used to detect the amount of 3AP at a wavelength of 298 nm. Validation of the method was performed as per the International Council for Harmonization of Technical Requirements for Pharmaceuticals for Human Use in terms of detection limit, quantitation limit, linearity, accuracy, precision, specificity and robustness. The calibration curve was linear (r2 = 0.999) for 3AP concentration in the range of 30.0–450.0 ppm. This method showed a good sensitivity with a detection limit and a quantitation limit of 7.5 and 25.0 ppm, respectively.
Continuous auditing and data mining for strategic risk control and anticorruption: Creating “fair” value in the digital age
Authors: Cardoni Andrea , Kiseleva Evgeniia , De Luca Francesco
Published: June 2020

This paper aims to bridge a gap in the literature by investigating a continuous audit case for anticorruption. The evolution of technology can offer valuable opportunities to integrate legality checks and business processes that are consistent with the growing call to fight corruption at the institutional level. Since the last decade, researchers have proposed conceptual frameworks demonstrating the visible advantages of continuous auditing and data mining, but significant difficulties still exist in practice. This process has been implemented in only a few cases, and the lack of empirical studies implies a need for additional research on this topic.

To fill this gap, we adopt the framework proposed by Chan and Vasarhelyi (2011) and identify success factors for the implementation of continuous auditing. For the analysis, we use the research methodology of a single case study and focus on the Italian company Acciai Speciali Terni Spa (AST), the only steelwork company in Europe that has been ISO 37001 certified. This study demonstrates the practical impact of continuous auditing and data mining on strategic risk control by empirically testing the Chan and Vasarhelyi (2011) framework for the specific issue of anticorruption. The results show that effective continuous auditing is centered on an integrative and change management approach and that strategic vision, risk mapping, and a no‐corruption culture are among the most influential factors. The AST case demonstrates that technology is currently essential for supporting strategic risk control but only if it is integrated with consistent growth in organizational and managerial capabilities.
Barium aspiration ‐ Accident or complication?
Authors: Ricardo Pires Joana , Teixeira Mariana , Ferreira Filipa , Neves Clarinda
Published: June 2020

Aspiration of barium sulfate is possible during radiographic contrast procedures and is potentially life‐threatening in severe cases. In patients with dysphagia or suspected tracheoesophageal fistula, barium compounds may be used, considering lateral projection fluoroscopy of the pharyngeal phase of swallowing, but iso‐osmotic agents should also be considered.
Obesity Alters Endoxifen Plasma Levels in Young Breast Cancer Patients: A Pharmacometric Simulation Approach
Authors: Mueller‐Schoell Anna , Klopp‐Schulze Lena , Schroth Werner , Mürdter Thomas , Michelet Robin , Brauch Hiltrud , Huisinga Wilhelm , Joerger Markus , Neven Patrick , Koolen Stijn L.W. , Mathijssen Ron H.J. , Copson Ellen , Eccles Diana , Chen Sylvia , Chowbay Balram , Tfayli Arafat , Zgheib Nathalie K. , Schwab Matthias , Kloft Charlotte
Published: June 2020

Endoxifen is one of the most important metabolites of the prodrug tamoxifen. High interindividual variability in endoxifen steady‐state concentrations (CSS,min ENDX) is observed under tamoxifen standard dosing and patients with breast cancer who do not reach endoxifen concentrations above a proposed therapeutic threshold of 5.97 ng/mL may be at a 26% higher recurrence risk compared with patients with endoxifen concentrations exceeding this value. In this investigation, 10 clinical tamoxifen studies were pooled (1,388 patients) to investigate influential factors on CSS,min ENDX using nonlinear mixed‐effects modeling. Age and body weight were found to significantly impact CSS,min ENDX in addition to CYP2D6 phenotype. Compared with postmenopausal patients, premenopausal patients had a 30% higher risk for subtarget CSS,min ENDX at tamoxifen 20 mg per day. In treatment simulations for distinct patient subpopulations, young overweight patients had a 3.1–13.8‐fold higher risk for subtarget CSS,min ENDX compared with elderly low‐weight patients. Considering ever‐rising obesity rates and the clinical importance of tamoxifen for premenopausal patients, this subpopulation may benefit most from individualized tamoxifen dosing.
Mechanistic Quantitative Pharmacology Strategies for the Early Clinical Development of Bispecific Antibodies in Oncology
Authors: Betts Alison , van der Graaf Piet H.
Published: June 2020

Bispecific antibodies (bsAbs) have become an integral component of the therapeutic research strategy to treat cancer. In addition to clinically validated immune cell re‐targeting, bsAbs are being designed for tumor targeting and as dual immune modulators. Explorative preclinical and emerging clinical data indicate potential for enhanced efficacy and reduced systemic toxicity. However, bsAbs are a complex modality with challenges to overcome in early clinical trials, including selection of relevant starting doses using a minimal anticipated biological effect level approach, and predicting efficacious dose despite nonintuitive dose response relationships. Multiple factors can contribute to variability in the clinic, including differences in functional affinity due to avidity, receptor expression, effector to target cell ratio, and presence of soluble target. Mechanistic modeling approaches are a powerful integrative tool to understand the complexities and aid in clinical translation, trial design, and prediction of regimens and strategies to reduce dose limiting toxicities of bsAbs. In this tutorial, the use of mechanistic modeling to impact decision making for bsAbs is presented and illustrated using case study examples.
Dryland cropping system impact on forage accumulation, nutritive value, and rainfall use efficiency
Authors: Holman Johnathon D. , Schlegel Alan , Obour Augustine K. , Assefa Yared
Published: June 2020

Forage cropping systems have greater precipitation use efficiency compared with cereal grains and oilseed cropping systems. However, information is limited to which forage species and forage rotation system increases productivity the most in the central Great Plains. The objective of this research was to identify the productivity and nutritive value of forage sorghum [FS, Sorghum bicolor (L.) Moench], winter triticale [WT, ×Triticosecale Wittm. ex A. Camus (Secale × Triticum)], and spring triticale (ST) crop rotations in the central Great Plains. The study was conducted from 2008 through 2011 at Garden City, Jetmore, and Tribune, KS. The experimental design was a randomized completed block with four crop rotation treatments: continuous FS–FS, continuous WT–WT, annual double‐crop WT/FS, and 2‐yr, double‐crop WT/FS–ST rotations. The annualized forage accumulation from WT/FS–ST rotation at Garden City, Jetmore, and Tribune were 30, 53, and 62% greater than annualized yields from the WT–WT rotation, respectively. The annualized forage accumulation from double crop WT/FS rotation were 55 and 148% greater than annualized forage accumulation from WT–WT rotation at Garden City and Jetmore. Overall productivity of a rotation was in the order WT/FS > WT/FS–ST or FS–FS > WT–WT. Despite its greater productivity, it was difficult to implement field operations (planting and harvesting) in the WT/FS rotation due to insufficient time in the growing season and because, often, there was little to no soil water available at planting. We concluded the WT/FS–ST rotation was less intense and more easily adoptable than the WT/FS rotation and has sufficient diversity to utilize resources better than continuous FS–FS or WT–WT rotations.
Responses of four submerged macrophytes to freshwater snail density (Radix swinhoei) under clear‐water conditions: A mesocosm study
Authors: Zhi Yongwei , Liu Yang , Li Wei , Cao Yu
Published: June 2020

Macrophytes play a key role in stabilizing clear‐water conditions in shallow freshwater ecosystems. Their populations are maintained by a balance between plant grazing and plant growth. As a freshwater snail commonly found in shallow lakes, Radix swinhoei can affect the growth of submerged macrophytes by removing epiphyton from the surface of aquatic plants and by grazing directly on macrophyte organs. Thus, we conducted a long‐term (11‐month) experiment to explore the effects of snail density on macrophytes with distinctive structures in an outdoor clear‐water mesocosm system (with relatively low total nitrogen (TN, 0.66 ± 0.27 mg/L) and total phosphorus (TP, 36 ± 20 μg/L) and a phytoplankton chlorophyll a (Chla) range of 14.8 ± 4.9 μg/L) based on two different snail densities (low and high) and four macrophyte species treatments (Myriophyllum spicatum, Potamogeton wrightii, P. crispus, and P. oxyphyllus). In the high‐density treatment, snail biomass and abundance (36.5 ± 16.5 g/m2 and 169 ± 92 ind/m2, respectively) were approximately twice that observed in the low‐density treatment, resulting in lower total and aboveground biomass and ramet number in the macrophytes. In addition, plant height and plant volume inhabited (PVI) showed species‐specific responses to snail densities, that is, the height of P. oxyphyllus and PVI of M. spicatum were both higher under low‐density treatment. Thus, compared with low‐density treatment, the inhibitory effects of long‐term high snail density on macrophytes by direct feeding may be greater than the positive effects resulting from epiphyton clearance when under clear‐water conditions with low epiphyton biomass. Thus, under clear‐water conditions, the growth and community composition of submerged macrophytes could be potentially modified by the manual addition of invertebrates (i.e., snails) to lakes if the inhibitory effects from predatory fish are minor.
Droplet digital PCR applied to environmental DNA, a promising method to estimate fish population abundance from humic‐rich aquatic ecosystems
Authors: Capo Eric , Spong Göran , Koizumi Shuntaro , Puts Isolde , Olajos Fredrik , Königsson Helena , Karlsson Jan , Byström Pär
Published: June 2020

Measures of environmental DNA (eDNA) concentrations in water samples have the potential to be both a cost‐efficient and a nondestructive method to estimate fish population abundance. However, the inherent temporal and spatial variability in abiotic and biotic conditions in aquatic systems have been suggested to be a major obstacle to determine relationships between fish eDNA concentrations and fish population abundance. Moreover, once water samples are collected, methodological biases are common, which introduces additional sources of variation to potential relationships between eDNA concentrations and fish population abundance. Here, we evaluate the performance of applying the droplet digital PCR (ddPCR) method to estimate fish population abundance in experimental enclosures. Using large‐scale enclosure ecosystems that contain populations of nine‐spined stickleback (Pungitius pungitius), we compared the concentrations of fish eDNA (COI mitochondrial region, 134 bp) obtained with the ddPCR method with high precision estimates of fish population abundance (i.e., number of individuals) and biomass. To evaluate the effects of contrasted concentrations of humic substances (potential PCR inhibitors) on the performance of ddPCR assays, we manipulated natural dissolved organic carbon (DOC) concentrations (range 4–11 mg/L) in the enclosures. Additionally, water temperature (+2°C) was manipulated in half of the enclosures. Results showed positive relationships between eDNA concentration and fish abundance and biomass estimates although unexplained variation remained. Still and importantly, fish eDNA estimates from high DOC enclosures were not lowered by potential inhibitory effects with our procedure. Finally, water temperature (although only 2°C difference) was neither detected as a significant factor influencing fish eDNA estimates. Altogether, our work highlights that ddPCR‐based eDNA is a promising method for future quantification of fish population abundance in natural systems.
Rationale and design of the EMPYREAN study
Authors: Motoki Hirohiko , Masuda Izuru , Yasuno Shinji , Oba Koji , Shoin Wataru , Usami Satoru , Saito Yoshihiko , Waki Masako , Komatsu Mitsuhisa , Ueshima Kenji , Nakagawa Yasuaki , Son Cheol , Yonemitsu Shin , Hiramitsu Shinya , Konda Manako , Onishi Katsuya , Kuwahara Koichiro
Published: June 2020

Aims

A sodium glucose cotransporter 2 (SGLT2) inhibitor was recently found to reduce heart failure hospitalization in the EMPA‐REG OUTCOME trial. We have hypothesized that autonomic nerve activity may be modulated by SGLT2 inhibition. The current study aims to investigate the impact of empagliflozin on sympathetic and parasympathetic nerve activity in patients with type 2 diabetes mellitus.

Methods and results

This ongoing study is a prospective, randomized, open‐label, multicentre investigation of 134 patients with type 2 diabetes mellitus. The patients are randomly allocated to receive either empagliflozin or sitagliptin with the treatment goal of the Japan Diabetes Society guidelines. Ambulatory electrocardiographic monitoring is performed at the baseline and at 12 and 24 weeks of treatment. Analyses of heart rate variability are conducted using the MemCalc method, which is a combination of the maximum entropy method for spectral analysis and the non‐linear least squares method for square analysis. The primary endpoint is the change in the low‐frequency (0.04–0.15 Hz)/high‐frequency (0.15–0.4 Hz) ratio from baseline to 24 weeks.

Conclusions

This investigation on the effect of EMPagliflozin on cardiac sYmpathetic and parasympathetic neRve activity in JapanEse pAtieNts with type 2 diabetes (EMPYREAN study) offers an important opportunity to understand the impact of SGLT2 inhibition on autonomic nerve activity in patients with type 2 diabetes.
The impact of left ventricular diastolic dysfunction for the prognosis in patients with lower extremity arterial disease
Authors: Lee Jen‐Kuang , Hwang Juey‐Jen , Chiang Fu‐Tien , Wu Cho‐Kai
Published: June 2020

Aims

Lower extremity arterial disease (LEAD) and left ventricular diastolic dysfunction (LVDD) share many risk factors, but the characteristics of LVDD and its association with prognosis in patients with LEAD have not been fully examined.

Methods and results

We investigated the impact of LVDD on the clinical outcomes in LEAD patients. LVDD was classified according to the newest suggested classification by the American Society of Echocardiography. Survival analysis for mortality (primary endpoint) and major adverse cardiac events (MACE; secondary endpoint) was calculated with all clinical variables and adjusted by multivariate Cox regression. We consecutively enrolled 221 controls and 464 LEAD patients from outpatient clinics and hospitals. The prevalence of LVDD was proportional to the severity of LEAD defined by the Rutherford class. The difference of LVDD severity is significant when compared with the control and LEAD patients or LEAD patients who underwent endovascular therapy (EVT), and it is also proportional to the LEAD severity. The grade of LVDD was a significant factor in predicting MACE and mortality in LEAD patients after multivariate Cox regression analysis [hazard ratio (HR) = 2.11, 95% CI = 1.47–2.83, P = 0.026; HR = 1.47, 95% CI = 1.02–2.02, P = 0.041]. This impact remained significant in LEAD patients who underwent EVT.

Conclusions

The degree of LVDD may predict MACE and mortality in LEAD patients. Whether early identification of LVDD in LEAD patients is helpful warrants further large‐scale prospective randomized studies.
Microbial fuel cell‐enhanced electrokinetic process for remediation of chromium from marine sediments
Authors: Razavi Marzie , Yousefi Kebria Daryoush , Ebrahimi Atieh
Published: June 2020

The combination of microbial fuel cell with electrokinetic processes, known as Microbial Electrokinetic Cell (MEKC), is an innovative and sustainable process for simultaneous sediment remediation and renewable energy production. This study made a major contribution to research on MEKC by demonstrating the maximum energy extraction and chromium removal using three types of the anode electrode, comprising plate graphite (PG), scratched plate graphite (SPG), and the combination of SPG with granular activated carbon (SPG‐GAC) used as bioanode. The results indicated that power generation changed noticeably based on the anolyte type and electrode configuration. The application of the SPG‐GAC electrode resulted in the maximum power densities of 10 ± 0.02 and 5.12 ± 0.04 W/m3 in MEKCs fed by actual and synthetic wastewater, respectively. However, feeding MEKC with synthetic wastewater instead of the actual one caused a slight reduction in chromium removal from 72.64 to 69.50% in anode and from 53.70 to 49.44% in cathode chamber. According to the obtained results, the SPG‐GAC can be suggested to improve MEKC power generation by increasing bacterial adhesion and enhancing the extracellular electron transfer using the granular activated carbon. Furthermore, the results provided a proof‐of‐concept that MEKC has a high potential to be used for efficient sediment remediation and to promote environmental health.
Preparation and kinetic study of organic amine‐loaded ion‐exchange resin as CO2 adsorbents
Authors: Liu Xinmin , Qiu Xuexia , Sun Xin , Mei Libin , Wang Lingyun , Guo Qingjie
Published: June 2020

Organic amine adsorbents prepared by template method using ion exchange resin (D001) as support and polyethyleneimine (PEI) as a modifier, and the preparation process was optimized by orthogonal experiment plan. The results showed that adsorbents prepared under conditions (the copper ion concentration was 0.2 mol/L, the ultrasonic time was 3 hr, and the PEI loadings were 30%) had an excellent CO2 adsorption properties. The effects of temperature and gas influent velocity on CO2 adsorption properties were investigated in a fixed bed reactor. When PEI loadings were 30%, the adsorption temperature was 65°C and the gas influent velocity was 40 ml/min, organic amine adsorbents performed a better PEI dispersion, stability, and CO2 adsorption capacity. Maximum CO2 adsorption capacity was 4.00 mmol/g. Besides, the CO2 adsorption capacity decreased by only 10% after 10 cycles of adsorption–desorption tests, attribute to a small amount of PEI was volatilize during the regeneration process. The external diffusion was eliminated by increasing the gas influent velocity, and the adsorption data were well fitted the Weber‐Morris particle diffusion model, indicating that CO2 adsorption was controlled by internal diffusion.
The use of artificial neural networks to estimate optimum insulation thickness, energy savings, and carbon dioxide emissions
Authors: Küçüktopcu Erdem , Cemek Bilal
Published: June 2020

This study examined artificial neural networks' (ANNs) applicability in modeling optimum insulation thickness (OIT), annual total net savings (ATS), and reduction of carbon dioxide emissions (RCO2) that result from insulating buildings. Data from insulation markets, economic parameters, fuel prices, and heating degree days (HDDs) were introduced into the model as input variables. To complete the most thorough analysis, three learning algorithms, Levenberg Marquardt (LM), Bayesian Regularization (BR), and Scaled Conjugate Gradient (SCG) were employed. Five statistical indexes were utilized to evaluate models' performances: determination coefficient (R2), root mean square error (RMSE), standard error of prediction (SEP), RMSE observations' standard deviation ratio (RSR), and average absolute percent relative error (AAPRE). Moreover, visualization techniques were used to assess the similarity between the OIT, ATS, and RCO2 values calculated and predicted. The results obtained clearly show that the LM model outperformed the BR and SCG models in all estimations. Thereafter, the developed ANNs model was validated for different cities. Overall, this model will provide an effective and straightforward guide for people working in the field to improve thermal insulation design, analysis, and implementation worldwide.
Forecast performance and bubble analysis in noncausal MAR(1, 1) processes
Authors: Gourieroux Christian , Hencic Andrew , Jasiak Joann
Published: June 2020

This paper examines the performance of nonlinear short‐term forecasts of noncausal processes from closed‐form functional predictive density estimators. The processes considered have mixed causal–noncausal MAR(1, 1) dynamics and non‐Gaussian distributions with either finite or infinite variance. The quality of point forecasts is affected by spikes and bubbles in the trajectories of these processes, which also characterize many financial and economic time series. This is due to deformations of estimated predictive densities from multimodality during explosive episodes. We show that two‐step‐ahead predictive densities of future trajectories based on the MAR(1, 1) Cauchy process can be used as a new graphical tool for early detection of bubble outsets and bursts. The method is applied to the Bitcoin/US dollar exchange rates and commodity futures.
Metabolic syndrome and risk of pancreatic cancer: A population‐based prospective cohort study
Authors: Xia Bin , He Qiangsheng , Pan Yihang , Gao Fang , Liu Anran , Tang Yan , Chong Charing , Teoh Anthony Y. B. , Li Fangping , He Yulong , Zhang Changhua , Yuan Jinqiu
Published: June 2020

Metabolic syndrome (MetS) and its components may link to pancreatic cancer risk; however, current epidemiological evidence is limited, and the potential mechanisms underlying the associations remain unclear. To investigate this, we carried out this prospective cohort study of 474 929 participants without a diagnosis of cancer based on UK Biobank dataset. MetS was defined according to the International Diabetes Federation criteria and pancreatic cancer was identified through linkage to UK cancer registries (median follow‐up time: 6.6 years). We evaluated hazard ratio (HR) and 95% confidence interval (CI) with Cox proportional hazards regression, adjusting for demography and lifestyle factors. Restricted cubic spline was performed for each MetS component to investigate their possible nonlinear associations with risk of pancreatic cancer. During 3 112 566 person‐years of follow‐up, 565 cases of pancreatic cancer were identified. Individuals with MetS (HR = 1.31, 95% CI, 1.09‐1.56), central obesity (HR = 1.24, 95% CI, 1.02‐1.50) and hyperglycemia (HR = 1.60, 95% CI, 1.31‐1.97) had increased risk of pancreatic cancer. Higher waist circumference (WC) and blood glucose were independently associated with pancreatic cancer, with no evidence against nonlinearity. Although elevated CRP (≥1.00 mg/dL) showed a positive association with the risk for pancreatic cancer, the effect was substantially increased only in participants with MetS and CRP ≥1.00 mg/dL. Our study demonstrated a positive association between MetS and increased risk of pancreatic cancer, with two of the MetS components, WC and blood glucose, showing independent associations in linear manner. Our study also suggested a potential joint effect of MetS and CRP in pancreas tumorigenesis.
Predictors and moderators of improved social‐emotional functioning in mothers with substance use disorders and their young children enrolled in a relationship‐based case management program
Authors: Hildebrandt Ursula C. , Graham J. Christopher , Grant Therese M.
Published: June 2020

Mothers with substance use disorders (SUDs) typically have trauma histories and psychosocial difficulties that lead to poor social‐emotional functioning and disrupted mother–child relationships. This 12‐month study explored associations of family adverse circumstances and services (case management, therapeutic, and community‐based) received by 57‐mothers with SUDs and their infants (less than 24‐months‐old) with changes in social‐emotional functioning. All mothers were enrolled in a relationship‐based case management program (Parent–Child Assistance Program [PCAP]) that emphasized connecting mothers to appropriate community services. A subset of mothers was additionally provided a trauma‐focused psychotherapeutic intervention (infant–parent psychotherapy [IPP]). Dyads in both treatment groups improved in overall social‐emotional functioning as assessed by the Functional Emotional Assessment Scale (FEAS). A combined‐sample regression analysis revealed that improved FEAS scores were significantly predicted by the number of community services received but not by PCAP case management hours (IPP was not included in this analysis). More adverse circumstances were associated with less improvement in social‐emotional functioning in the children; but among the mothers trauma level did not predict FEAS scores. We also found a moderating effect of trauma: Dyads with relatively more adversity showed a significantly greater association of community services received with improvement in FEAS scores than did those with relatively less adversity.
Assessment and treatment of response to name for children with autism spectrum disorder: Toward an efficient intervention model
Authors: Conine Daniel E. , Vollmer Timothy R. , Barlow Molly A. , Grauerholz‐Fisher Emma , Dela Rosa Cynthia M. , Petronelli Abigail K.
Published: June 2020

Response to name (RTN) is an early developmental milestone, deficits in which are associated with autism spectrum disorder (ASD). This study extends previous research by evaluating an assessment and treatment model for RTN with 13 children with ASD. For all participants, phase 1 was a naturalistic social baseline. The 9 children who did not meet mastery criteria in phase 1 underwent a series of treatment conditions in phase 2. In phase 3, treatment components were removed, and generalization was assessed. Results indicated that tangible reinforcement procedures can produce rapid increases in discriminated RTN, sometimes without prompts. The total number of trials to mastery were reduced in the current study relative to previous research. Results also provide preliminary evidence to suggest that the phase 1 baseline condition may produce distinct patterns of RTN that could be used to predict treatment effects and further reduce trials to mastery in future work.
Prevalence of renewal of problem behavior: Replication and extension to an inpatient setting
Authors: Falligant John Michael , Kranak Michael P. , McNulty Molly K. , Schmidt Jonathan D. , Hausman Nicole L. , Rooker Griffin W.
Published: June 2020

Individuals with intellectual and developmental disabilities who exhibit problem behavior often receive behavioral assessment and treatment in specialized inpatient and outpatient clinics. However, problem behavior sometimes reemerges as a function of changes in contexts and stimulus conditions, such as returning to the home environment. This reemergence is called renewal. Recently, Muething et al. (2020) found that renewal occurred in over half (67%) of cases from an outpatient clinic. Their sample was obtained exclusively from an outpatient setting and despite the applied relevance of renewal, its clinical prevalence in other populations is unknown. Accordingly, we replicated Muething et al.’s procedures and analyzed renewal in 37 inpatient treatment applications across 34 cases via consecutive‐controlled case series. Renewal was present in 59% of cases; however, we found that renewal occurred in only 24% of context changes compared to 42% reported by Muething et al. Various factors related to the prevalence of renewal were evaluated.
Film as an educational tool to train psychotherapists
Authors: Roe David
Published: June 2020

Starting with Freud who wrote about Dostoyevsky, Michelangelo, and da Vinci, therapists have acknowledged that the humanities and arts contain great sources of insight into human nature. In this paper, I argue for the need to incorporate insights acquired by artists into the training of psychotherapists. Specifically, I present and describe a graduate‐level seminar I teach that uses cinema as a tool to train mental health practitioners. Films are used to expose students to a range of universal human issues; we discuss film characters' conflicts, motivations, sources of suffering, and attempts to cope. Further efforts should be devoted to search for ways to use art to inform and enrich the practice, training, and teaching of psychotherapDirected by Robert Redford and produced in the United Statesy.
Model‐Aided Adults‐to‐Children Pharmacokinetic Extrapolation and Empirical Body Size‐Based Dosing Exploration for Therapeutic Monoclonal Antibodies—Is Allometry a Reasonable Choice?
Authors: Xu Yan , Langevin Brooke A. , Zhou Honghui , Xu Zhenhua
Published: June 2020

The importance of pharmacokinetic (PK) evaluation in pediatric drug development is well recognized, and a pediatric PK study is generally recommended before pivotal trials to ensure the “right” dose in these studies. The PK of therapeutic monoclonal antibodies (mAbs) is primarily affected by body weight, where adults‐to‐children extrapolation may conform to allometry. Therefore, PK behavior of mAbs in pediatrics, particularly for those with linear PK, is expected to be predictable based on data in adults. To test this hypothesis, we reviewed published population PK reports of marketed mAbs and assessed model‐aided PK extrapolation of mAbs to children (2‐17 years) through 5 case studies. For each case study, population PK models were developed based on adult data, with allometric exponents of weight on clearance and volume of distribution fixed as standard values (ie, 0.75 for clearance; 1.0 for volume of distribution), approach 1, or coming from adult model estimates, approach 2. Simulated pediatric PK using these 2 approaches was compared with PK observations in pediatric trials to assess the accuracy in model predictions. For pediatrics 6‐17 years, model performance was generally comparable with the 2 approaches. For children < 6 years, no definite conclusion could be made, as only 1 case study enrolled children 2‐5 years. Our work supports that PK in children 6‐17 years is readily predictable for mAbs with linear PK based on adult data and considering weight effect (allometry). Empirical dosing calculations based on PK simulations with allometry are proposed to convert adult doses to equivalent pediatric doses with exposure matching for mAbs in children 2‐17 years.
Abnormal behaviors in the calibration curves of liquid chromatography–tandem mass spectrometry occurring in the quantitative analysis of surfactants near critical micelle concentrations
Authors: Lee Sang Tak , Kim Hyeri , Kwon Jung‐Hwan , Oh Han Bin
Published: June 2020

Surfactants, including quaternary ammonium compounds, are widely used in daily life as part of consumer chemical products and, more recently, in the shale oil industry. Because of their unique amphiphilic properties, surfactants form micelles at concentrations above a certain threshold known as the critical micelle concentration (CMC). A previous electrospray ionization mass spectrometry studies conducted by Siuzdak et al. and others presented indirect evidence regarding micelle formation. Herein, we have used liquid chromatography–tandem mass spectrometry to explore how such micelle formations affect the quantitative analysis of surfactants. Results reveal abnormal behaviors in the calibration plots of a few selected anionic and cationic surfactants, such as sodium decyl sulfate (SDeS), sodium dodecyl sulfate (SDS), myristyltrimethylammonium bromide (MTAB), and benzyldimethyloctadecylammonium chloride (BAC‐18). At concentrations close to the respective CMCs of these surfactants, the calibration plot for MTAB flattened, whereas the slopes of the calibration plots for SDeS, SDS, and BAC‐18 suddenly changed. These abnormal behaviors can be related to micelle formation. From a practical perspective, the above observations suggest that in the quantitative analysis of surfactants, high micelle concentrations close to the CMC should be avoided to obtain accurate surfactant measurements.
Detecting SARS‐CoV‐2 RNA in conjunctival secretions: Is it a valuable diagnostic method of COVID‐19?
Authors: Güemes‐Villahoz Noemi , Burgos‐Blasco Barbara , Arribi‐Vilela Ana , Arriola‐Villalobos Pedro , Rico‐Luna Carla M. , Cuiña‐Sardiña Ricardo , Delgado‐Iribarren Alberto , García‐Feijoó Julián
Published: June 2020

The main purpose of this study is to evaluate the presence of viral RNA of severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2) in conjunctival swab specimen of coronavirus disease 2019 (COVID‐19) patients with and without conjunctivitis to establish the diagnostic value of reverse transcription‐polymerase chain reaction (RT‐PCR) in each case and to describe its clinical characteristics. A cross‐sectional study was conducted at the Hospital Clinico San Carlos of Madrid, Spain. Thirty‐six subjects from the COVID admission unit with laboratory‐confirmed SARS‐CoV‐2 infection were included. Conjunctival swabs were collected from 18 patients with conjunctivitis and 18 patients without conjunctivitis and RT‐PCR was performed. Conjunctival swab was collected from both eyes of 36 patients (72 eyes), detecting SARS‐CoV‐2 RNA in conjunctival swab of two patients (5.5%). Among the 18 patients with conjunctivitis, only one of them (5.5%) showed positive results. Likewise, SARS‐CoV‐2 RNA was detected in one patient without conjunctivitis (5.5%). The mean age of the 36 patients was 67.9 years (range, 28‐92 years) and the male‐to‐female ratio was 0.44 (16:20). The mean days since the onset of COVID‐19 symptoms until conjunctivitis manifestation was 8 (range, 1‐24 days). The mean duration of the conjunctivitis was 3 days (range, 1‐7 days). SARS‐CoV‐2 RNA may be detected in conjunctival swabs of both patients with and without conjunctivitis. This study revealed the same rate of positive results amongst the group with and without conjunctivitis, suggesting that detecting SARS‐CoV‐2 in ocular fluids is not conditioned on the presence of conjunctivitis. The presence of SARS‐CoV‐2 RNA in ocular samples highlights the role of the eye as a possible route of transmission of the disease.
SARS‐CoV‐2 and SARS‐CoV: Virtual screening of potential inhibitors targeting RNA‐dependent RNA polymerase activity (NSP12)
Authors: Ruan Zijing , Liu Chao , Guo Yuting , He Zhenqing , Huang Xinhe , Jia Xu , Yang Tai
Published: June 2020

Since the outbreak of severe acute respiratory syndrome (SARS) in 2003, the harm caused by coronaviruses to the world cannot be underestimated. Recently, a novel coronavirus (severe acute respiratory syndrome coronavirus‐2 [SARS‐CoV‐2]) initially found to trigger human severe respiratory illness in Wuhan City of China in 2019, has infected more than six million people worldwide by 21 June 2020, and which has been recognized as a public health emergency of international concern as well. And the virus has spread to more than 200 countries around the world. However, the effective drug has not yet been officially licensed or approved to treat SARS‐Cov‐2 and SARS‐Cov infection. NSP12‐NSP7‐NSP8 complex of SARS‐CoV‐2 or SARS‐CoV, essential for viral replication and transcription, is generally regarded as a potential target to fight against the virus. According to the NSP12‐NSP7‐NSP8 complex (PDB ID: 7BW4) structure of SARS‐CoV‐2 and the NSP12‐NSP7‐NSP8 complex (PDB ID: 6NUR) structure of SARS‐CoV, NSP12‐NSP7 interface model, and NSP12‐NSP8 interface model were established for virtual screening in the present study. Eight compounds (Nilotinib, Saquinavir, Tipranavir, Lonafarnib, Tegobuvir, Olysio, Filibuvir, and Cepharanthine) were selected for binding free energy calculations based on virtual screening and docking scores. All eight compounds can combine well with NSP12‐NSP7‐NSP8 in the crystal structure, providing drug candidates for the treatment and prevention of coronavirus disease 2019 and SARS.
Viscoelastic Behavior of Synthesized Liquid Soaps and Surface Activity Properties of Surfactants
Authors: Bratovcic Amra , Nazdrajic Sanela
Published: June 2020

In the present work, a rheological study of liquid soaps prepared from different mixture of surfactants as a function of surfactant type and concentration was performed. The curves of shear stress vs. shear rate and viscosity vs. shear rate were recorded at constant temperature, 294 ± 0.1 K. The surface activity properties were also studied. The results of the study showed that values of surface tension, γ, were in the range 31–40 mN m−1 and the critical micelle concentration (CMC), was of the order 10−4 mol L−1. The calculated maximum surface excess, Γmax, varied from 2.40 to 3.66 μmol m−2, while minimum area per molecule, Amin, varied from 41.1 (for amphoterics) to 81.4 Å2 (for nonionic surfactants). The standard free energy of micellization, −29.8 and −29.3 kJ mol−1 for anionic and amphoteric surfactants, respectively, were while values for nonionic surfactants varied between −31.8 and − 30.3 kJ mol−1. The free energy of adsorption, was the lowest for amphoteric surfactants (−37.9 kJ mol−1), followed by anionics (−40.4 kJ mol−1) and nonionics (−43.34 to −46.84 kJ mol−1), indicating that micellization process is spontaneous in the examined medium. The synthetized liquid soaps show pseudoplastic behavior and they achieved pipe flow. The results of this research indicate that flow behavior was affected significantly by the ionic charge of the surfactant and the ionic strength of the formulation, suggesting that the flow behavior could be changed by manipulating the choice of the surfactant and salinity. The pH value of all liquid soaps examined were weakly acidic, in the range of 5.0–6.4.
Monodisperse restricted access material with molecularly imprinted surface for selective solid‐phase extraction of 17β‐estradiol from milk
Authors: Wang Xiaoxiao , Liu Huachun , Sun Zhian , Zhao Shanwen , Zhou Yanqiang , Li Jianmin , Cai Tianpei , Gong Bolin
Published: June 2020

In this study, novel monodisperse restricted access media‐molecularly imprinted polymers were successfully prepared by surface initiated reversible addition‐fragmentation chain transfer polymerization using monodisperse crosslinked poly (glycidyl methacrylate‐co‐ethylene glycol dimethacrylate) microspheres as the carrier and acryloyl chloride‐modified β‐cyclodextrin as the hydrophilic functional monomer. The surface morphology, protein exclusion, and adsorption properties of the molecularly imprinted polymers were investigated. The results show that the material has excellent monodispersity and hydrophilicity, and simultaneously exhibit high adsorption capacity, fast binding kinetics, high selectivity, and significant thermal stability. The molecularly imprinted polymers as dispersive solid‐phase extraction adsorbent combined with reversed‐phase high‐performance liquid chromatography was used to selectively enrich, separate, and analyze trace 17β‐estradiol in milk samples. The recovery of 17β‐estradiol is 88–95% with relative standard deviation of <4%, and the limits of detection and quantification of this method are 2.08 and 9.29 µg/L, respectively. The novel restricted access media‐molecularly imprinted polymer adsorbents provide an effective method for the selective extraction and detection of 17β‐estradiol directly from complex samples.
Influence of the double bond position in combustion chemistry of methyl butene isomers: A shock tube and laser absorption study
Authors: Arafin Farhan , Laich Andrew , Ninnemann Erik , Greene Robert , Rahman Ramees K. , Vasu Subith S.
Published: June 2020

Shock tube experiments have been carried out on 2‐methyl‐1‐butene (2M1B), 2‐methyl‐2‐butene (2M2B), and 3‐methyl‐1‐butene (3M1B)—the three isomers of methyl butene compound. Carbon monoxide (CO) time‐histories and ignition delay times are obtained behind reflected shockwaves over the temperature range of 1350‐1630 K and pressures of 8.3‐10.5 atm with stoichiometric mixtures of 0.075% fuel in O2/Ar. Comparative ignition study reveals that 3M1B ignites significantly faster than the other two isomers, while 2M1B dissociates earlier but ignites later than 2M2B. Possible mechanisms for this behavior are discussed with ignition delay time sensitivity and reaction path analysis. In addition, time‐resolved CO measurements are compared with three different reaction mechanisms from the literature. Sensitivity analyses have been carried out to identify important reactions that need attention to accurately predict the chemistry of these isomers. Further investigation into the rates of unimolecular fuel decomposition reactions and C3H3 + O2 = CH2CO + HCO reaction are suggested based on the current investigation.