bluuebunny/crossref_metadata_2025_split huggingface dataset:
Using ONIOM calculations to investigate the abilities of simple and nitrogen, boron, sulfur‐doped carbon nanotubes in sensing of carbon monoxide
Authors: Tavakol Hossein , Hassani Fahimeh , Shahabi Dana 
Published: March 2020

AbstractIn this work, geometries, stabilities, and electronic properties of the carbon monoxide (CO) molecule as an adsorbent in a simple carbon nanotube (CNT) and nitrogen (N), boron (B), sulfur (S)‐doped CNTs (NCNT, BCNT, and SCNT) with parallel and perpendicular configurations are fully considered using ONIOM, natural bond orbital, and quantum theory of atom in molecule (QTAIM) calculations. The adsorption energies (Ead) demonstrate that a CO molecule could be adsorbed on the surface of the simple CNT with parallel configuration and N‐doped CNT with perpendicular configuration in an exothermic process. QTAIM calculations showed the close‐shell (noncovalent) interactions between the CO molecule and CNT or N, B, S‐doped CNTs. In addition, the energy gap (Eg) values between the highest occupied molecular orbital and the lowest unoccupied molecular orbital are calculated. In accordance with the results of energy gap, simple and N‐doped CNTs could be used as CO sensors.
A rapid liquid chromatography/tandem mass spectrometry method for simultaneous determination of levodopa, carbidopa, entacapone and their six related compounds in film‐coated tablets
Authors: Burmaoğlu Rıfat Emre , Sağlık Aslan Serap 
Published: March 2020

RationaleA liquid chromatography/tandem mass spectrometry (LC/MS/MS) method has been developed and validated to determine levodopa, carbidopa, entacapone, and corresponding six related substances – levodopa impurity B, levodopa impurity C, methyldopa, methylcarbidopa, entacapone impurity C, and entacapone impurity A – in film‐coated tablets for the first time.MethodsChromatographic separation was achieved with a gradient elution by using a C18 column, a mobile phase containing 0.5% formic acid in water and 0.5% formic acid in methanol. The mobile phase flow rate was 0.5 mL min−1. The UV detector was set at 280 nm and the triple quadrupole mass spectrometer was used in multiple reaction monitoring (MRM) mode.ResultsThe limit of detection (LOD) and limit of quantification (LOQ) results were 1.3 and 3.94 ng mL−1 for levodopa impurity B; 5.26 and 15.9 ng mL−1 for levodopa impurity C; 0.833 and 2.53 ng mL−1 for methyldopa; 3.31 and 10.0 ng mL−1 for methylcarbidopa; 1.67 and 5.06 ng mL−1 for entacapone impurity C; and 0.61 and 1.86 ng mL−1 for entacapone impurity A.ConclusionsThe method was rapid, linear, accurate, and reproducible. The LC/MS/MS method that was developed to determine the related substances and assay of levodopa, carbidopa, and entacapone can be used to evaluate the quality of regular samples in the pharmaceutical industry. It can be also used to test the stability of samples.
Propagation of human prostate tissue from induced pluripotent stem cells
Authors: Hepburn Anastasia C. , Curry Emma L. , Moad Mohammad , Steele Rebecca E. , Franco Omar E. , Wilson Laura , Singh Parmveer , Buskin Adriana , Crawford Susan E. , Gaughan Luke , Mills Ian G. , Hayward Simon W. , Robson Craig N. , Heer Rakesh 
Published: March 2020

AbstractPrimary culture of human prostate organoids and patient-derived xenografts is inefficient and has limited access to clinical tissues. This hampers their use for translational study to identify new treatments. To overcome this, we established a complementary approach where rapidly proliferating and easily handled induced pluripotent stem cells enabled the generation of human prostate tissue in vivo and in vitro. By using a coculture technique with inductive urogenital sinus mesenchyme, we comprehensively recapitulated in situ 3D prostate histology, and overcame limitations in the primary culture of human prostate stem, luminal and neuroendocrine cells, as well as the stromal microenvironment. This model now unlocks new opportunities to undertake translational studies of benign and malignant prostate disease.Significance statement Growing cells from prostate cancer biopsies in the laboratory to study mechanisms of disease and to discover new treatments is fraught with difficulties and often not possible. This work establishes a new means to grow “mini 3D prostates” in the laboratory. It shows proof of concept that genetic modifications are possible in this innovative model, which lays the foundations for new preclinical approaches to personalized care previously considered too challenging. Specifically, in future work, one can develop genetically engineered prostate cancers in a dish, tailored to the specific genetic profiles of individual patients, and determine their best response to a range of drug treatments.
Regular Film Property Changes of Konjac Glucomannan/Mung Bean Starch Blend Films
Authors: Fang Ying , Wang Weiling , Qian Hong , Wu Kao , Xiao Man , Ni Xuewen , Jiang Fatang , Chen Sheng 
Published: March 2020

AbstractA series of konjac glucomannan (KGM) and mung bean starch (MBS) blend films with different mixing ratios are prepared, and their microstructure, molecular interactions, and film properties are evaluated. Results indicate that increased KGM content can contribute to the smoother and denser microstructure of the cross section of the KGM/MBS blend films, especially when it is >50%. Fourier transform infrared spectroscopy and X‐ray diffraction analysis indicate the existence of molecular interactions among the film components. A mixing ratio of KGM:MBS = 7:3 is suggested to have the optimum mechanical property, but other physical properties such as water contact angle, water vapor permeability (WVP), swelling and solubility, differential scanning calorimetry endothermic peak temperatures, and thermal gravimetric onset temperatures exhibit different change tendencies. These properties could be more impacted by the film's structure and intrinsic molecular properties than the molecular interactions. Moreover, high linearity against component ratio is observed for mechanical properties, water contact angle, swelling and solubility, and WVP, which may offer suggestions for film property predictions. The obtained results may offer suggestions to prepare edible films with desired properties based on KGM and MBS.
Effect of Different Heat Treatments on Physicochemical Properties and Structural and Digestibility of Water Caltrop Starch
Authors: Wei Hai‐Xiang , Liang Bao‐Dong , Chai Ya‐Ru , Xue Li‐Ping , Wang Xiao‐Qiang , Yin Xu‐Min 
Published: March 2020

AbstractWater caltrop has a high starch content and is a promising resource of starch in Asia. Starch can be divided into rapidly digestible starch (RDS), slowly digestible starch (SDS), and resistant starch (RS). Here, the effects of physical modification by microwave treatments, heat–moisture treatments, and pressure–heat treatments on the physiochemical and structural properties and on the in vitro digestibility of water caltrop starch is studied. The results show that, compared with native starch (NS), the solubility and swelling power of modified starch samples decrease with prolonged microwave and heat–moisture treatment. The infrared absorbance ratio at 1047 cm−1/1022 cm−1 is decreased in starch samples modified by microwave treatment and pressure–heat treatment, the NS samples present a C‐type crystalline pattern which changes into an A‐type pattern upon microwave treatment. Water caltrop starch subjected to 50 s of microwave treatment has the highest amylose (48.78%), the highest crystallinity (42.95%), and the highest RS content (67.41%, uncooked and 48.91%, cooked). Water caltrop starch subjected to 3 h of heat–moisture treatment contains the highest SDS content (54.33%, uncooked and 60.11%, cooked).
Role of microRNA‐122 in microcystin‐leucine arginine‐induced dysregulation of hepatic iron homeostasis in mice
Authors: Wang Rui , Liu Xiaohui , Wu Jinxia , Liu Haohao , Wang Wenjun , Chen Xinghai , Yuan Le , Wang Yueqin , Du Xingde , Ma Ya , Losiewicz Michael D. , Zhang Xiaofeng , Zhang Huizhen 
Published: March 2020

AbstractMicrocystin‐leucine arginine (MC‐LR) is a cyclic heptapeptide hepatotoxin produced by cyanobacteria. MicroRNA‐122 (miR‐122) is specifically expressed in the liver. This study focuses on the role of miR‐122 in MC‐LR‐induced dysregulation of hepatic iron homeostasis in C57BL/6 mice. The thirty mice were randomly divided into five groups (Control, 12.5 μg/kg·BW MC‐LR, 25 μg/kg·BW MC‐LR, Negative control agomir and 25 μg/kg·BW MC‐LR + miR‐122 agomir). The results show that MC‐LR decreases the expressions of miR‐122, Hamp, and its related regulators, while increasing the content of hepatic iron and the expressions of FPN1 and Tmprss6. Furthermore, miR‐122 agomir pretreatment improves MC‐LR induced dysregulation of hepatic iron homeostasis by arousing the related regulators and reducing the expression of Tmprss6. These results suggest that miR‐122 agomir can prevent the accumulation of hepatic iron induced by MC‐LR, which may be related to the regulation of hepcidin by BMP/SMAD and IL‐6/STAT signaling pathways.
Proteomics analysis of zebrafish larvae exposed to 3,4‐dichloroaniline using the fish embryo acute toxicity test
Authors: Vieira Leonardo R. , Hissa Denise C. , de Souza Terezinha Maria , Sá Chayenne A. , Evaristo Joseph A. M. , Nogueira Fábio C. S. , Carvalho Ana F. U. , Farias Davi F. 
Published: March 2020

AbstractThe zebrafish (Danio rerio) is a small teleost fish that is becoming increasingly popular in laboratories worldwide and several attributes have also placed the zebrafish under the spotlight of (eco)toxicological studies. Since the 1990s, international organizations such as ISO and OECD have published guidelines for the use of zebrafish in ecotoxicological assessment of environmental toxicants such as the Fish Embryo Acute Toxicity (FET) test, OECD n° 236 guideline. This protocol uses 3,4‐dichloroaniline (DCA), an aniline pesticide whose toxicity to fish species at early life stages is well known, as a positive control. Despite its use, little is known about its molecular mechanisms, especially in the context of the FET test. Therefore, this study aimed to investigate such changes in zebrafish larvae exposed to DCA (4 mg/L) for 96 hours using gel‐free proteomics. Twenty‐four proteins detected in both groups were identified as significantly affected by DCA exposure, and, when considering group‐specific entities, 48 proteins were exclusive to DCA (group‐specific proteins) while 248 were only detected in the control group. Proteins modulated by DCA treatment were found to be involved in metabolic processes, especially lipids and hormone metabolism (eg, Apoa1 and Apoa1b and vitelogenins), as well as proteins important for developmental processes and organogenesis (eg, Myhc4, Acta2, Sncb, and Marcksb). The results presented here may therefore provide a better understanding of the relationships between molecular changes and phenotype in zebrafish larvae treated with DCA, the reference compound of the FET test.
Microscopic entropy of rotating electrically charged AdS4 black holes from field theory localization
Authors: Nian Jun , Pando Zayas Leopolda A. 
Published: March 2020

Abstract
We employ supersymmetric localization to determine the exact partition function of 3d $$ \mathcal{N} $$
N
= 2 gauge theories on a background given by a round S2 fibered over a circle and certain complexified background fields. The Coulomb branch localization locus includes monopole configurations, and the partition function reduces to a matrix model. We consider the partition function of the ABJM theory on this background as an explicit case. We verify that the large-N limit of the ABJM theory partition function produces, in the Cardy limit, the entropy function of the dual rotating, electrically charged asymptotically AdS4 supersymmetric black holes and thus provides a microscopic explanation for the Bekenstein-Hawking entropy.
Circular Wilson loops in defect $$ \mathcal{N} $$ = 4 SYM: phase transitions, double-scaling limits and OPE expansions
Authors: Bonansea Sara , Davoli Silvia , Griguolo Luca , Seminara Domenico 
Published: March 2020

Abstract
We consider circular Wilson loops in a defect version of $$ \mathcal{N} $$
N
= 4 super-Yang- Mills theory which is dual to the D3-D5 brane system with k units of flux. When the loops are parallel to the defect, we can construct both BPS and non-BPS operators, depending on the orientation of the scalar couplings in the R-symmetry directions. At strong ’t Hooft coupling we observe, in the non supersymmetric case, a Gross-Ooguri-like phase transition in the dual gravitational theory: the familiar disk solution dominates, as expected, when the operator is far from the defect while a cylindrical string worldsheet, connecting the boundary loop with the probe D5-brane, is favourite below a certain distance (or equivalently for large radii of the circles). In the BPS case, instead, the cylindrical solution does not exist for any choice of the physical parameters, suggesting that the exchange of light supergravity modes always saturate the expectation value at strong coupling. We study the double-scaling limit for large k and large ’t Hooft coupling, finding full consistency in the non-BPS case between the string solution and the one-loop perturbative result. Finally we discuss, in the BPS case, the failure of the double-scaling limit and the OPE expansion of the Wilson loop, finding consistency with the known results for the one-point functions of scalar composite operators.
Trigonometric Approximation of Functions from $$L_{2\pi }^{p(x)}$$
Authors: Łenski Włodzimierz , Szal Bogdan 
Published: March 2020

AbstractWe generalize and improve the results of A. Guven, D. Israfilov, Xh. Z. Krasniqi and T. N. Shakh-Emirov. We consider the general methods of summability of Fourier series of functions from $$L_{2\pi }^{p(x)}$$L2πp(x) with $$ p\left( x\right) \ge 1$$px≥1. For estimate of the error of approximation of functions by the matrix means we use a modulus of continuity constructed by the Steklov functions of the increments of considered functions without of absolute values.
Consumption of psychotropic drugs among disability pension applicants with mental disorders: comparing awarded and rejected applicants in Finland
Authors: Perhoniemi Riku , Tuulio-Henriksson Annamari , Blomgren Jenni , Laaksonen Mikko 
Published: March 2020

Abstract
Purpose
Psychotropic drug consumption as a proxy measure of mental health problems during a disability pension process has only been studied among awarded applicants. This study examined psychotropic drug purchase trajectories among awarded and rejected disability pension applicants. Analyses were conducted in different diagnostic and sociodemographic groups.

Methods
A representative 70% sample of Finnish adults applying for disability pension due to a mental disorder in 2009–2011 (N = 18,087) was followed for 4 years in 3-month periods both before and after the pension decision. Register data on purchased drugs measured in defined daily doses (DDDs), gender, age, occupational class, unemployment history, and diagnostic group were used. The DDD levels and trends were analyzed using growth curve models.

Results
Psychotropic drug purchases increased before the pension decision and decreased gradually thereafter among both awarded and rejected applicants. The average DDD level was higher for rejected than awarded applicants before the decision but lower thereafter. The high pre-decision level for rejected applicants was explicit with a lower socioeconomic status. The pre-decision increase in DDDs was steeper for awarded applicants. Changes in DDDs before and after the decision were most prominent for depression, bipolar disorders, schizophrenia, and anxiety disorders.

Conclusion
Awarded and rejected disability pension applicants differed partly in their trajectories of psychotropic drug consumption. For awarded applicants, the steep rise of consumption prior to the award possibly reflects worsening occupational capacity. Early high consumption for rejected applicants signals long running mental health problems and calls for earlier support.
Analytical model to estimate the performance of shuttle-based storage and retrieval systems with class-based storage policy
Authors: Eder Michael 
Published: March 2020

AbstractThis paper presents a method to determine the performance of shuttle-based storage and retrieval systems (SBS/RS) with tier-captive single-aisle shuttles and class-based storage policy. The use of this approach takes place both in the design process of SBS/RS and in the redesign process of SBS/RS. With this approach, it is possible to evaluate performance improvement by applying a class-based storage policy. Another beneficial scope of application of this approach is the evaluation of the placement of different classes throughout the rack to achieve the maximum throughput. The basis of this calculation method was a continuous-time open-queueing model with limited capacity. The cycle times of lifts and shuttles, as determined by a spatial value approach combined with a probability-based approach to mention the storage policy, could be directly used in the presented method with their time distributions. The data used herein were provided by a European material handling provider. An example was presented to outline how this calculation model can be used for optimizing the already existing SBS/RS via the application of a class-based storage policy. Through the example, depending on the configuration of the policy, applying the class-based storage to an existing SBS/RS would increase the throughput by up to twice the throughput without class-based storage policy.
Rapid detection of the aspergillosis biomarker triacetylfusarinine C using interference-enhanced Raman spectroscopy
Authors: Pahlow Susanne , Orasch Thomas , Žukovskaja Olga , Bocklitz Thomas , Haas Hubertus , Weber Karina 
Published: March 2020

AbstractTriacetylfusarinine C (TAFC) is a siderophore produced by certain fungal species and might serve as a highly useful biomarker for the fast diagnosis of invasive aspergillosis. Due to its renal elimination, the biomarker is found in urine samples of patients suffering from Aspergillus infections. Accordingly, non-invasive diagnosis from this easily obtainable body fluid is possible. Within our contribution, we demonstrate how Raman microspectroscopy enables a sensitive and specific detection of TAFC. We characterized the TAFC iron complex and its iron-free form using conventional and interference-enhanced Raman spectroscopy (IERS) and compared the spectra with the related compound ferrioxamine B, which is produced by bacterial species. Even though IERS only offers a moderate enhancement of the Raman signal, the employment of respective substrates allowed lowering the detection limit to reach the clinically relevant range. The achieved limit of detection using IERS was 0.5 ng of TAFC, which is already well within the clinically relevant range. By using an extraction protocol, we were able to detect 1.4 μg/mL TAFC via IERS from urine within less than 3 h including sample preparation and data analysis. We could further show that TAFC and ferrioxamine B can be clearly distinguished by means of their Raman spectra even in very low concentrations.
Peripheral neuropathy and health-related quality of life in patients with primary Sjögren’s syndrome: a preliminary report
Authors: Jaskólska Marta , Chylińska Magdalena , Masiak Anna , Nowicka-Sauer Katarzyna , Siemiński Mariusz , Ziętkiewicz Marcin , Czuszyńska Zenobia , Zdrojewski Zbigniew 
Published: March 2020

AbstractSjögren’s syndrome (SS) is a chronic autoimmune disease with a wide spectrum of possible organ involvement. Peripheral (PNS) and central nervous system (CNS)-related symptoms may occur in the course of the disease. The aim of this study was to compare the health-related quality of life (HR-QOL) in SS patients with and without peripheral neuropathy. The study involved 50 patients with primary Sjögren’s syndrome (pSS). All patients underwent neurological clinical examination followed by nerve conduction studies (NCS) and rheumatological examination. Thirty-six-item Short Form Health Survey (SF-36) was used for evaluating HR-QOL. To assess pSS activity, the EULAR Sjögren’s Syndrome Disease Activity Index (ESSDAI) and EULAR Sjögren’s Syndrome Patient Reported Index (ESSPRI) were used. For the assessment of clinical disability due to peripheral neuropathy, the Overall Disability Sum Score scale (ODSS) was used. Additional evaluation of pain was performed with the use of the Visual Analogue Scale (VAS) and a semistructured interview. Twenty-three (46%) patients were diagnosed with peripheral neuropathy. The most common PNS manifestation was sensorimotor neuropathy (47%). Neurological symptoms preceded the diagnosis of pSS in eight patients. The following domains of the SF-36 form were significantly lower scored by patients with peripheral nervous system involvement: role-physical [0 (0–100) vs. 75 (0–100)], role-emotional [67 (0–100) vs. 100 (0–100)], vitality [40 (10–70) vs. 50 (20–75)], bodily pain [45 (10–75) vs. 55 (0–100)], and general health [20 (5–50) vs. 30 (0–50)] (p ≤ 0.05). Our study showed that peripheral neuropathy was a common organ-specific complication in SS patients. In pSS patients, coexisting neurological involvement with symptoms such as pain and physical disability may be responsible for diminished HR-QOL.
The influence of postoperative complications on long-term prognosis in patients with colorectal carcinoma
Authors: Beck Clemens , Weber Klaus , Brunner Maximilian , Agaimy Abbas , Semrau Sabine , Grützmann Robert , Schellerer Vera , Merkel Susanne 
Published: March 2020

Abstract
Background
The impact of postoperative complications (POCs) on the long-term prognosis of patients with colorectal carcinoma was analysed with respect to their severity according to the Clavien-Dindo classification (CDC).

Methods
The prospectively collected data of 2158 patients who underwent curative resection of a colorectal carcinoma (1168 rectal carcinomas, 990 colon carcinomas) without distant metastases from 1995 to 2014 were analysed. The POCs were documented in a standardized form and graded with the CDC. Patients who died postoperatively (CDC grade V, 1.7%) were excluded.

Results
In total, 467 patients (21.6%) had POCs: CDC I, 141 (6.5%); CDC II, 162 (7.5%); CDC III, 112 (5.2%); and CDC IV, 52 (2.4%). More POCs and higher CDC grades were found in men, ASA III-IV patients, rectal carcinoma patients, and patients who underwent abdominoperineal excisions or multivisceral resections. The 5-year locoregional recurrence rate was 5.3% in patients without POCs and 6.6% in patients with POCs. It was highest in CDC III patients (12.9%), which was confirmed in multivariate analysis (HR 2.2; p = 0.005). The 5-year distant metastasis rate was 15.9% in CDC 0 patients and 19.5% in CDC I–IV patients. In multivariate analysis, distant metastasis was highest in CDC III patients (HR 1.7; p = 0.020). The 5-year overall survival rate was 83.5% in patients without POCs and 73.5% in patients with POCs. It was worst in CDC IV patients (63.1%), which was confirmed by multivariate analysis (HR 1.9; p = 0.001).

Conclusion
Patients with POCs after colorectal surgery have a poor long-term prognosis. As the CDC grade increases, survival deteriorates.