bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Characterization of Polyethylene Glycol Diesters from Estolides Containing Epoxides and Diols
Authors: Isbell Terry A. , Lowery Benjamin A. , Vermillion Karl , Cermak Steven C. 
Published: February 2020

AbstractEstolides from oleic acid, 12‐hydroxystearic acid, and methyl ricinoleate were synthesized and converted to polyethylene glycol (PEG) diesters. Oleic estolide was synthesized from oleic acid as a homo‐oligomeric material using perchloric acid in 68.8% yield and an estolide number (EN) value of 1.29. Estolides from 12‐hydroxystearic acid were homo‐oligomers made by heating under vacuum at 150 °C for 24 hours to give a quantitative yield of estolide with an EN value of 2.55. Oleic acid‐based estolides and 12‐hydroxystearic acid‐based estolide were esterified with PEG‐200 diol to form PEG 200 diesters. Ricinoleate estolides was capped with lauric acid or 12‐hydroxystearic estolide by reacting methyl ricinoleate with the corresponding fatty acids at 150 °C using tin(II) octoate as a catalyst. The corresponding estolides were transesterified with PEG‐200 diol to form the diesters. The residual olefin of ricinoleate was then epoxidized and underwent ring opening hydrolysis to form the corresponding diol. NMR spectroscopy (1H,13C, distortionless enhancement by polarization transfer, heteronuclear single quantum correlation, heteronuclear multiple bond correlation, and correlated spectroscopy) was used to characterize the products.
Flexible and transparent capacitors based on gel‐type natural polymers
Authors: Avila‐Niño José A. , Vilchis Sofía , Araujo Elsie 
Published: February 2020

AbstractIn this work, we study the capacitive properties of gel‐type natural abundant polymers without any dopants, mainly commercial gelatin and agar in deionized water. Here, we propose a facile fabrication of flexible, transparent, and planar electrolytic capacitors using these gel‐type and indium tin oxide thin films as electrodes deposited on poly(ethylene terephthalate) substrates. Through cyclic voltammetry and galvanostatic charge–discharge techniques, we found that the devices show a specific capacitance in the order of the millifarads per gram, a specific power of ~10 mW cm−2, which is sufficient to active low‐power devices, and a life cycle with nearly 100% efficiency after 1,000 cycles. We found that we do not need to add dopants that improve the ionic conductivity of the natural polyelectrolytes to obtain capacitances within the millifarads per gram. The flexibility of the capacitors was demonstrated by bending them, after which they exhibited the same electrochemical performance as the unbent devices. The optical transparency of the capacitors was measured by UV–V is spectroscopy showing a high transmittance in the visible region.
Preparation of a composite monolith with functional graphene oxide and its application in the online enrichment of ursolic acid in medicinal plant
Authors: Yu Huan , Liu Haiyan , Pang Xiaoya , Zhang Miaomiao , Yan Hongyuan , Bai Ligai 
Published: February 2020

AbstractIn this study, a composite poly(functional graphene oxide‐co‐N‐isopropylacrylamide‐co‐trimethylolpropane triacrylate‐co‐ethylene dimethacrylate) (poly(f‐GO‐co‐NIPAAm‐co‐TMPTA‐co‐EDMA)) monolith was prepared, in which f‐GO was added. The obtained monolith was characterized by nitrogen adsorption–desorption isotherm and scanning electron microscopy. The monolith exhibited a homogeneous and continuous structure, good permeability, and large surface area. The composite monolith was used as solid‐phase extraction absorbent in conjunction with high‐performance liquid chromatography for enrichment of ursolic acid. The calibration equation wasy= 73.3980x + 0.2555, and the linear regression coefficient was 0.9987; The calibration curve was ranged from 1 to 700 μg ml−1; The limit of detection and limit of quantification values were 0.3 and 1.0 μg ml−1, respectively; The intraday and interday precisions were less than 2.6 and 7.4%, respectively. The recovery was in the range of 84.44–111.76%. Moreover, the adsorption amount of ursolic acid on the composite monolith was compared with the monolith without f‐GO added and silica gel‐C18 adsorbent. The results showed that the composite monolithic column was feasible to be used as an online SPE absorbent, which exhibiting low back pressure, good permeability, and high adsorption capacity. In addition, this method provided the possibility to extract and analyze trace components from medicinal plants.
Clam‐like Cyclotricatechylene‐based Capsules: Identifying the Roles of Protonation State and Guests as well as the Drivers for Stability and (Anti‐)Cooperativity
Authors: Mehta Nisha , Abrahams Brendan F. , Goerigk Lars 
Published: February 2020

AbstractCyclotricatechylene (ctcH6) is a bowl‐shaped macrocyclic compound that can be used as a building block for self‐assembled capsules. ctcH6 and its derivatives in various protonation states – here collectively labeled as CTC – form dimers that resemble the shape of a clam. These clam‐shaped entities have been studied experimentally by Abrahams, Robson, and co‐workers [B. F. Abrahams, N. J. FitzGerald, T. A. Hudson, R. Robson and T. Waters, Angew. Chem. Int. Ed. 2009, 48, 3129–3132] where the capsules acted as an excellent host for large alkali‐metal cations. In this study, we present a detailed analysis based on accurate dispersion‐corrected Density Functional Theory approaches that reveals the factors that stabilise such CTC‐based capsules at different protonation states and their interaction with various encapsulated guests. Our results show that the capsules’ overall stability results as an interplay of hydrogen bonding, London dispersion, and electrostatic effects. The most stable capsules with group‐1 and group‐2 cations as guests contain only six phenolic hydrogens, as opposed to the maximum possible number of twelve. Inclusion of larger alkali‐metal cations is favoured due to larger London‐dispersion contributions. Cations are favoured as guests over isoelectronic neutral species, as the resulting host‐guest complexes experience additional stability due to cooperative effects. In fact, using the latter to drive the formation of specific capsules could be used in future strategies aimed at synthesising similar aggregates; our results provide an insightful understanding and useful guidance for such future endeavours.
Maneuver detection and tracking of a space target based on a joint filter model
Authors: Ye Liu , Hua Zhao , Chuankai Liu , Jianfeng Cao , Junkui Wang 
Published: February 2020

AbstractOrbit maneuver of non‐cooperative space targets is difficult to detect, and thus greatly affects the accuracy of real‐time target tracking. To solve this problem, a joint filter‐based algorithm is proposed to detect and track targets with random pulse maneuvering. In the algorithm, the joint filter is constructed using two nonlinear filters. The first is an auxiliary filter that utilizes the kinematic model to predict the target motion and estimate the target movement according to the continuity of Keplerian elements. The other is a primary filter that uses an orbit dynamic model to predict the target motion and utilize the estimated results provided as feedback by the auxiliary filter as the constraints to re‐estimate the target orbit in real time. Moreover, simulations were conducted to detect and track non‐cooperative space targets with a series of random pulse maneuvers, and thus validate the efficiency of the new algorithm.
Effective resolution in high resolution global atmospheric models for climate studies
Authors: Klaver Remko , Haarsma Rein , Vidale Pier Luigi , Hazeleger Wilco 
Published: February 2020

AbstractWe estimate the extent of spatial scales that atmospheric models in a new generation of global climate models, used in the Coupled Model Intercomparison Project 6, are able to resolve on the basis of kinetic energy spectra, commonly referred to as the effective resolution. We examine the spectra derived from the rotational and divergent parts of the wind for six state‐of‐the‐art global climate models that have been run with at least two horizontal resolutions. For each of the high resolution configurations, the effective resolution enhancement is less than proportional to the increase of the nominal resolution. The highest effective resolution obtained by the models in this study is roughly 200 km. This shows that the newest generation of high resolution climate models starts to resolve synoptic scales relevant for the dynamics of weather events.
Maßnahmen zur Mitigation von Sicherheitsrisiken bei digital unterstützten Bauprojekten
Authors: Wittenborn Arne , Čadež Ivan , Schumann René 
Published: February 2020

AbstractDie im ersten Beitrag identifizierten Sicherheitsrisiken haben Auswirkungen auf mehrere Bereiche der digital unterstützten Projektabwicklung. Die dafür erforderlichen personellen und technologischen Ressourcen sind im Sinne eines übergeordneten Prozesses zu koordinieren. Die Implementierung eines ganzheitlichen Informationssicherheitskonzepts bei BIM‐gestützten Bauprojekten wird dadurch erschwert, dass das Bewusstsein hinsichtlich der Risikopotenziale für digitalisierte Projektinformationen bei vielen Projektbeteiligten gegenwärtig noch nicht ausgeprägt ist. In diesem Beitrag werden daher beispielhafte Möglichkeiten aufgezeigt, wie den identifizierten Sicherheitsrisiken entgegengewirkt werden kann.Gemäß der Kategorisierung in prozessuale, personelle und technologische Risikobereiche werden daher zunächst Handlungsempfehlungen für jedes der 16 identifizierten Sicherheitsrisiken vorgestellt. Eine davon abgeleitete Risikoklassifizierung in fünf Klassen (A, B1, B2, B3, C) zeigt auf, welche Bedeutung bzw. Priorität diese bei der Erarbeitung eines Informationssicherheitskonzepts haben können. Darauf aufbauend werden die Ansätze der ISO 19650‐5 zu dessen Implementierung auf Projektebene vorgestellt und bewertet. Abschließend wird der aktuelle Entwicklungsstand zusammengefasst und der weitere Handlungsbedarf benannt.
Take a risk or proceed with caution: Prevention motivation moderates responses to near‐loss events
Authors: Paine Jill W. , Federspiel Florian , Seifert Matthias , Zou Xi 
Published: February 2020

AbstractA persistently pressing issue identified in the decision‐making literature is that people not only fail to recognize the risks entailed in a near‐loss event but also subsequently engage in further risk‐taking. We contend in this paper that prevention motivation critically regulates decision‐makers' responses to a near‐loss. Across three studies, we found that high prevention‐focused individuals perceive greater risks in a near‐loss event and are subsequently less likely to take risks, compared with low prevention‐focused individuals. This finding highlights the significance of applying a motivational perspective to studying decision‐making and risk.
IV estimation without distributional assumptions
Authors: Lange Theis , Jensen Aksel K. G. 
Published: February 2020

AbstractIt is widely known that Instrumental Variable (IV) estimation allows the researcher to estimate causal effects between an exposure and an outcome even in face of serious uncontrolled confounding. The key requirement for IV estimation is the existence of a variable, the instrument, which only affects the outcome through its effects on the exposure and that the instrument–outcome relationship is unconfounded. Countless papers have employed such techniques and carefully addressed the validity of the IV assumption just mentioned. However, less appreciated is that fact that the IV estimation also depends on a number of distributional assumptions in particular linearities. In this paper, we propose a novel bounding procedure which can bound the true causal effect relying only on the key IV assumption and not on any distributional assumptions. For a purely binary case (instrument, exposure, and outcome all binary), such boundaries have been proposed by Balke and Pearl in 1997. We extend such boundaries to non‐binary settings. In addition, our procedure offers a tuning parameter such that one can go from the traditional IV analysis, which provides a point estimate, to a completely unrestricted bound and anything in between. Subject matter knowledge can be used when setting the tuning parameter. To the best of our knowledge, no such methods exist elsewhere. The method is illustrated using a pivotal study which introduced IV estimation to epidemiologists. Here, we demonstrate that the conclusion of this paper indeed hinges on these additional distributional assumptions. R‐code is provided in the Supporting Information.
Comparison of Modeling Methods for DoE‐Based Holistic Upstream Process Characterization
Authors: Bayer Benjamin , von Stosch Moritz , Striedner Gerald , Duerkop Mark 
Published: February 2020

AbstractUpstream bioprocess characterization and optimization are time and resource‐intensive tasks. Regularly in the biopharmaceutical industry, statistical design of experiments (DoE) in combination with response surface models (RSMs) are used, neglecting the process trajectories and dynamics. Generating process understanding with time‐resolved, dynamic process models allows to understand the impact of temporal deviations, production dynamics, and provides a better understanding of the process variations that stem from the biological subsystem. The authors propose to use DoE studies in combination with hybrid modeling for process characterization. This approach is showcased on Escherichia coli fed‐batch cultivations at the 20L scale, evaluating the impact of three critical process parameters. The performance of a hybrid model is compared to a pure data‐driven model and the widely adopted RSM of the process endpoints. Further, the performance of the time‐resolved models to simultaneously predict biomass and titer is evaluated. The superior behavior of the hybrid model compared to the pure black‐box approaches for process characterization is presented. The evaluation considers important criteria, such as the prediction accuracy of the biomass and titer endpoints as well as the time‐resolved trajectories. This showcases the high potential of hybrid models for soft‐sensing and model predictive control.
Comprehensive understanding of Saccharomyces cerevisiae phenotypes with whole‐cell model WM_S288C
Authors: Ye Chao , Xu Nan , Gao Cong , Liu Gaoqiang , Xu Jianzhong , Zhang Weiguo , Chen Xiulai , Nielsen Jens , Liu Liming 
Published: February 2020

AbstractBiological network construction for Saccharomyces cerevisiae is a widely used approach for simulating phenotypes and designing cell factories. However, due to a complicated regulatory mechanism governing the translation of genotype to phenotype, precise prediction of phenotypes remains challenging. Here, we present WM_S288C, a computational whole‐cell model that includes 15 cellular states and 26 cellular processes and which enables integrated analyses of physiological functions of Saccharomyces cerevisiae. Using WM_S288C to predict phenotypes of S. cerevisiae, the functions of 1140 essential genes were characterized and linked to phenotypes at five levels. During the cell cycle, the dynamic allocation of intracellular molecules could be tracked in real‐time to simulate cell activities. Additionally, one‐third of non‐essential genes were identified to affect cell growth via regulating nucleotide concentrations. These results demonstrated the value of WM_S288C as a tool for understanding and investigating the phenotypes of S. cerevisiae.
Repeat cytoreductive surgery with or without intraperitoneal chemotherapy for recurrent epithelial appendiceal neoplasms
Authors: Karpes J B , Lansom J D , Alshahrani M , Parikh R , Shamavonian R , Alzahrani N A , Liauw W , Morris D L 
Published: February 2020

AbstractBackgroundWith recurrence rates after primary cytoreductive surgery (CRS) in excess of 50 per cent, repeat CRS is being performed increasingly, but survival outcomes have not been reported widely. This study examined the outcomes following repeat CRS for appendiceal cancer with peritoneal surface malignancy (PSM), and evaluated its feasibility and safety.MethodsA retrospective cohort of patients who had surgery between 1996 and 2018 were analysed. Patients who underwent a single CRS procedure with or without heated intraperitoneal chemotherapy (HIPEC) were compared with those who had multiple procedures with or without HIPEC. Perioperative morbidity and survival outcomes were analysed.ResultsSome 462 patients were reviewed, 102 of whom had repeat procedures. For high-grade tumours, patients who had a single CRS procedure had significantly reduced overall survival (OS) compared with those who had repeat CRS (55·6 versus 90·7 months respectively; P = 0·016). For low-grade tumours, there was no difference in OS (P = 0·153). When patients who had a single procedure were compared with those who had multiple procedures, there was no significant difference in major morbidity (P = 0·441) or in-hospital mortality (P = 0·080). For multiple procedures, no differences were found in major morbidity (P = 0·262) or in-hospital mortality (P = 0·502) when the first procedure was compared with the second. For low-grade cancers, the peritoneal carcinomatosis index was a significant prognostic factor for OS (hazard ratio (HR) 1·11, 95 per cent c.i. 1·05 to 1·17; P &lt; 0·001), whereas for high-grade cancers repeat CRS (HR 0·57, 0·33 to 0·95; P = 0·033), complete cytoreduction score (HR 1·55, 1·01 to 2·40; P = 0·046) and presence of signet ring cells (HR 2·77, 1·78 to 4·30; P &lt; 0·001) were all significant indicators of long-term survival.ConclusionIn selected patients presenting with PSM from epithelial appendiceal neoplasms, repeat CRS performed in high-volume centres could provide survival benefits.
Characterization of chemical components of Periplocae Cortex and their metabolites in rats using ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry
Authors: Li Zi‐ting , Zhang Feng‐xiang , Chen Wei‐wu , Chen Ming‐hao , Tang Xi‐yang , Ye Meng‐nan , Yao Zhi‐hong , Yao Xin‐sheng , Dai Yi 
Published: February 2020

AbstractPeriplocae Cortex, named Xiang‐Jia‐Pi in China, has been widely used to treat autoimmune diseases, especially rheumatoid arthritis. However, the in vivo substances of Periplocae Cortex remain unknown yet. In this study, an ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry was used for profiling the chemical components and related metabolites of Periplocae Cortex. A total of 98 constituents were identified or tentatively characterized in Periplocae Cortex: 42 C21 steroidal glycosides, 10 cardiac glycosides, 23 organic acids, 4 aldehydes, 7 triterpenes, and 12 other types. Among them, 18 components were unambiguously identified by comparison with reference standards. In addition, 176 related xenobiotics (34 prototypes and 142 metabolites) were screened out and characterized in rats’ biosamples (plasma, urine, bile, and feces) after the oral administration of Periplocae Cortex. Moreover, the metabolic fate of periplocoside S‐4a, a C21 steroidal glycoside, was proposed for the first time. In summary, phase II reactions (methylation, glucuronidation, and sulfation), phase I reactions (hydrolysis reactions, oxygenation, and reduction), and their combinations were the predominant metabolic reactions of Periplocae Cortex in rat. It is the first report to reveal the in vivo substances and metabolism feature of Periplocae Cortex. This study also provided meaningful information for further pharmacodynamics study of Periplocae Cortex, as well as its quality control research.
Relation of infarction location and volume to vertigo in vertebrobasilar stroke
Authors: Elhfnawy Ahmed Mohamed , Abd El‐Raouf Mervat , Volkmann Jens , Fluri Felix , Elsalamawy Doaa 
Published: February 2020

AbstractObjectiveVertigo is a common presentation of vertebrobasilar stroke. Anecdotal reports have shown that vertigo occurs more often in multiple than in single brainstem or cerebellar infarctions. We examined the relation between the location and volume of infarction and vertigo in patients with vertebrobasilar stroke.MethodsConsecutive patients with vertebrobasilar stroke were prospectively recruited. The infarction location and volume were assessed in the diffusion‐weighted magnetic resonance imaging.ResultsFifty‐nine patients were included, 32 (54.2%) with vertigo and 27 (45.8%) without vertigo. The infarction volume did not correlate with National Institute of Health Stroke Scale (NIHSS) score on admission (Spearman ρ = .077, p = .56) but correlated with modified Rankin Scale (ρ = .37, p = .004) on discharge. In the vertigo group, the proportion of men was lower (53.1% vs. 77.8%, p = .049), fewer patients had focal neurological deficits (65.6% vs. 96.3%, p = .004), patients tended to present later (median [IQR] was 7.5 [4–46] vs. 4 [2–12] hours, p = .052), numerically fewer patients received intravenous thrombolysis (15.6% vs. 37%, p = .06), and the total infarction volume was larger (5.6 vs. 0.42 cm3, p = .008) than in nonvertigo group. In multivariate logistic regression, infarction location either in the cerebellum or in the dorsal brainstem (odds ratio [OR] 16.97, 95% CI 3.1–92.95, p = .001) and a total infarction volume of >0.48 cm3 (OR 4.4, 95% CI 1.05–18.58, p = .043) were related to vertigo. In another multivariate logistic regression, after adjusting for age, sex, intravenous thrombolysis, serum level of white blood cells, and atrial fibrillation, vertigo independently predicted a total infarction volume of >0.48 cm3 (OR 5.75, 95% CI 1.43–23.08, p = .01).ConclusionInfarction location in the cerebellum and/or dorsal brainstem is an independent predictor of vertigo. Furthermore, larger infarction volume in these structures is associated with vertigo. A considerable proportion of patients with vascular vertigo present without focal neurological deficits posing a diagnostic challenge. National Institute of Health Stroke Scale is not sensitive for vertebrobasilar stroke.
Arterial anatomy of the anterior abdominal wall: Ultrasound evaluation as a real‐time guide to percutaneous instrumentation
Authors: Le Saint‐Grant Alexander , Taylor Alasdair , Varsou Ourania , Grant Calum , Cezayirli Enis , Bowness James 
Published: February 2020

AbstractIntroductionInstrumenting the anterior abdominal wall carries a potential for vascular trauma. We previously assessed the presence, position, and size of the anterior abdominal wall superior and inferior (deep) epigastric arteries with computed tomography (CT). We now present a study using ultrasound (US) assessment of these arteries, to evaluate its use for real time guidance of percutaneous procedures involving the rectus sheath.Materials and MethodsTwenty‐four participants (mean age 67.9 ± 9 years, 15 M:9 F [62:38%]) were assessed with US at three axial planes on the anterior abdominal wall: transpyloric plane (TPP), umbilicus, and anterior superior iliac spine (ASIS).ResultsAn artery was visible least frequently at the TPP (62.5 – 45.8%), compared with the umbilicus (95.8–100%) and ASIS (100%), on the left, χ2(2) = 20.571; p < .001, and right, χ2(2) = 27.842; p < .001, with a moderate strength association (Cramer's V = 0.535 [left] and 0.622 [right]). Arteries were most commonly observed within the rectus abdominis muscle at the level of the TPP and umbilicus, but posterior to the muscle at the level of the ASIS (95.8–100%). As with the CT study, the inferior epigastric artery was observed to be larger in diameter, start more laterally, and move medially as it coursed superiorly.ConclusionsThese data corroborate our previous results and suggest that the safest level to instrument the rectus sheath (with respect to vascular anatomy) is at the TPP. Such information may be particularly relevant to anesthetists performing rectus sheath block and surgeons during laparoscopic port insertion.