bluuebunny/crossref_metadata_2025 huggingface dataset:
Functional and Basis Set Dependence for Time‐Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis‐Azobenzene Photoisomerization
Authors: Ye Linfeng , Xu Chao , Gu Feng Long , Zhu Chaoyuan
Published: November 2019

Within three functionals (TD‐B3LYP, TD‐BHandHLYP, and TD‐CAM‐B3LYP) in combination with four basis sets (3‐21g, 6‐31g, 6‐31g(d), and cc‐pvdz), global switching (GS) trajectory surface hopping molecular dynamics has been performed for cis‐to‐trans azobenzene photoisomerization up to the S1(nπ*) excitation. Although all the combinations show artificial double‐cone structure of conical intersection between ground and first excited states, simulated quantum yields and lifetimes are in good agreement with one another; 0.6 (±5%) and 40.5 fs (±10%) by TD‐B3LYP, 0.5 (±10%) and 35.5 fs (±4%) by TD‐BHandHLYP, and 0.44 (±9%) and 35.2 fs (±10%) by TD‐CAM‐B3LYP. By analyzing distributions of excited‐state population decays, hopping spots, and typical trajectories with performance of 12 functional/basis set combinations, it has been concluded that functional dependence for given basis set is slightly more sensitive than basis set dependence for given functional. The present GS on‐the‐fly time‐dependent density functional theory (TDDFT) trajectory surface hopping simulation can provide practical benchmark guidelines for conical intersection driven excited‐state molecular dynamics simulation involving in large complex system within ordinary TDDFT framework. © 2019 Wiley Periodicals, Inc.
Population Pharmacokinetics of Total and Free Erdafitinib in Adult Healthy Volunteers and Cancer Patients: Analysis of Phase 1 and Phase 2 Studies
Authors: Dosne Anne‐Gaelle , Valade Elodie , Stuyckens Kim , Li Lilian Y. , Ouellet Daniele , Perez‐Ruixo Juan Jose
Published: November 2019

A population pharmacokinetic (PK) model was developed using data pooled from 6 clinical studies (3 in healthy volunteers and 3 in cancer patients) to characterize total and free plasma concentrations of erdafitinib following single‐ and multiple‐dose administration, to understand clinically relevant covariates, and to quantify the inter‐ and intraindividual variability in erdafitinib PK. An open, linear, 3‐compartment disposition model with first‐order absorption and a lag time was used to describe the PK profile of total and free erdafitinib plasma concentrations. The PK of erdafitinib were linear and time independent. After oral administration, erdafitinib was rapidly absorbed, with a time to maximum concentration between 2 and 4 hours. In patients, erdafitinib total apparent oral clearance was 0.200 L/h (median free fraction = 0.24%), and the effective terminal half‐life of total drug was 76.4 hours. Interindividual variability in PK parameters was moderate for oral clearance and central volume of distribution, and large for absorption rate and peripheral volume of distribution. Sex and renal function were significant covariates on free oral clearance, while weight, sex, and α1‐acid‐glycoprotein were significant on oral central volume of distribution. Age, race, and mild hepatic impairment were not significant covariates of erdafitinib exposure. Given that the magnitude of the covariate effects were within 25% of reference values and that the recommended dosing regimen of erdafitinib comprises individual dose up‐titrations and reductions based on presence or absence of toxicities, the clinical relevance of the investigated covariates is expected to be limited, and no dose adjustments are warranted.
Synthesis and in vitro evaluation of novel tetralin‐pyrazolo[3,4‐b]pyridine hybrids as potential anticancer agents
Authors: Hamza Eman Kh. , Hamdy Nehal A. , Zarie Eman S. , Fakhr Issa M.I. , Elwahy Ahmed H.M. , Awad Hanem M.
Published: November 2019

New hybrids of tetralin‐pyrazolo[3,4‐b]pyridine were synthesized in good yields. The structures of newly synthesized compounds were confirmed by IR, NMR, MS, and elemental analyses. Some of the new compounds were in vitro evaluated as antiproliferative candidates against two human cancer cell lines (HCT116 and MCF‐7). Most of the examined derivatives showed promising anticancer activity.
Low seroprevalence and zero incidence rate of hepatitis E in men who have sex with men during a hepatitis A outbreak
Authors: Rodríguez‐Tajes Sergio , Perpiñán Elena , Leonel Thais , Lens Sabela , Mariño Zoe , Pérez‐del‐Pulgar Sofía , García‐López Mireia , Pocurull Anna , Koutsoudakis George , Forns Xavier
Published: November 2019

Hepatitis E virus (HEV) and hepatitis A virus (HAV) are both secreted in feces. Despite HEV transmission in Europe is mainly zoonotic, person‐to‐person transmission has not been completely excluded. Men who have sex with men (MSM) constitute a high‐risk group for HAV mostly due to oral sex. We investigated the potential transmission of HEV during an acute hepatitis A (AHA) outbreak mainly affecting MSM. One hundred and two patients were diagnosed with AHA. Sixty‐nine (68%) self‐reported to be MSM, 75% of whom had high‐risk sexual behaviors and 46% had suffered previous sexually transmitted diseases. We collected serum from 85 (83%) patients during AHA. HEV‐IgG seroprevalence was not different among MSM (7%) compared with non‐MSM (8%) patients. Two patients had positive anti‐HEV‐IgM, but all samples tested negative for HEV‐RNA. These results suggest that HEV does not spread by sexual contact or person‐to‐person in our area.
Performance analysis of microchannel with different pin fin layouts
Authors: Jadhav Subhash V. , Pawar Prashant M.
Published: November 2019

A numerical analysis is carried out in this study to understand the effect of the different pin fin layouts in the microchannel heat sinks. The performance analysis is done using the conjugate heat transfer module of COMSOL Multiphysics software. Initially, a microchannel with elliptical pin fins of 500‐μm fin height in it is validated with the results from the literature. Further, the performance of microchannels with three different pin fin layouts is compared with the baseline model. The investigation is done for different coolant inflow velocities, keeping the channel and pin fin dimensions constant, and the results are presented in terms of the Nusselt number and pressure drop. The highest value of 19.287 Nusselt number is obtained for case b with a maximum inlet velocity of 1 m/s. A maximum increment of 16.8% and a minimum increment of 11.1% in the Nusselt number is observed in case d and case a, respectively, with 0.2 m/s inlet velocity. The minimum value of the pressure drop is observed in case d. From the results obtained in this study, it is concluded that a staggered pin fin orientation in the microchannel enhances the thermal performance better than inline arrangement.
Metabolomics Signature for Non‐Responders to Total Joint Replacement Surgery in Primary Osteoarthritis Patients: The Newfoundland Osteoarthritis Study
Authors: Costello Christie A. , Hu Ting , Liu Ming , Zhang Weidong , Furey Andrew , Fan Zhaozhi , Rahman Proton , Randell Edward W. , Zhai Guangju
Published: November 2019

Although total joint replacement (TJR) surgery is considered as the most effective treatment for advanced osteoarthritis (OA) patients, up to one‐third of patients reported unfavorable long‐term post‐operative pain outcomes. We aimed to identify metabolic biomarkers to predict non‐responders to TJR using a metabolomics approach. TJR patients were recruited and followed‐up at least 1‐year post‐surgery; TJR outcomes were assessed by Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC) pain and function subscales. Targeted metabolomic profiling was performed on plasma samples collected pre‐surgery and pairwise metabolite ratios, as proxies for enzymatic reactions, were calculated. Association tests were performed between each metabolite ratio and non‐responders. The metabolome‐wide significance was defined as p < 2 × 10−5. A total of 461 TJR patients due to primary OA were included in the analysis. Fifteen percent of patients were classified as pain non‐responders; 16% were classified as function non‐responders. Lower baseline WOMAC pain and function scores were significantly associated with pain and function non‐responders, respectively (both p < 0.03). Two metabolite ratios were significantly associated with pain non‐responders; acetylcarnitine (C2) to phosphatidylcholine acyl‐alkyl C40:1 (PC ae C40:1) was five times higher in pain non‐responders whereas phosphatidylcholine diacyl C36:4 (PC aa C36:4) to isoleucine was twenty one times lower in pain non‐responders than responders (all p ≤ 1.93 × 10−5). One metabolite ratio, glutamine to isoleucine, was significantly lower in function non‐responders than responders (eight times lower; p = 1.08 × 10−5). Three metabolite ratios (C2 to PC ae C40:1, PC aa C36:4, and glutamine to isoleucine) related to inflammation and muscle breakdown could be considered as novel plasma markers for predicting non‐responders to TJR and warrant further investigation. © 2019 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 38:793‐802, 2020
Evaluation of Two Types of Intramedullary Jones Fracture Fixation in a Cyclic and Ultimate Load Model
Authors: Willegger Madeleine , Benca Emir , Hirtler Lena , Kasparek Maximilian F. , Bauer Gregor , Zandieh Shahin , Windhager Reinhard , Schuh Reinhard
Published: November 2019

Implant choice is a matter of concern in athletes and active patients who sustain a Jones fracture because they are prone to failure including non‐union, screw failure, and refracture. The aim of this study was to compare the biomechanical behavior of a Jones fracture‐specific screw (JFXS) with a cannulated headless compression screw (HCS) in a simulated partial weight‐bearing and ultimate load Jones fracture fixation model. Ten matched pairs of human anatomical specimens underwent Jones fracture creation and consecutive intramedullary stabilization with a solid JFXS or a cannulated HCS. The bone mineral density was assessed prior to testing. Cyclic plantar to dorsal loading was applied for 1000 cycles, followed by load to failure testing. Angulation was measured by an opto‐electronic motion capture system and mode of failure classification was determined by video analysis. Paired analysis showed no statistically significant difference between both screw constructs. Ultimate load reached 236.9 ± 107.8 N in the JFXS group compared with 210.8 ± 150.7 N in the HCS group (p = 0.429). The bone mineral density correlated positive with the pooled ultimate load (R = 0.580, p = 0.007) for all constructs and negatively with angulation (R = −0.680, p = 0.002) throughout cyclic loading. Solid fracture‐specific and cannulated headless compression screws provide equal ultimate loads and stiffness for Jones fracture fixation. A low bone mineral density significantly impairs the construct stability and the ultimate load of both intramedullary screw constructs. © 2019 The Authors. Journal of Orthopaedic Research ® published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society J Orthop Res 38:911‐917, 2020
Tutorial: Nutrition Therapy in Eosinophilic Esophagitis—Outcomes and Deficiencies
Authors: Bashaw Hillary , Schwartz Sally , Kagalwalla Amir F. , Wechsler Joshua B.
Published: November 2019

Eosinophilic esophagitis (EoE) is a chronic, immune‐mediated disease that presents with symptoms of esophageal dysfunction, which vary by age. Diagnosis is made by upper endoscopy with esophageal biopsies to identify dense eosinophilic inflammation with at least 15 eosinophils per high‐power field. Untreated, EoE can progress from inflammatory to esophageal remodeling with fibrosis and stricture formation. Food antigens are the primary trigger of inflammation in EoE. The most common food antigen triggers are dairy, wheat, egg, and soy. EoE can be managed with steroids or dietary elimination of food triggers. Elimination diets differ by the number of foods removed with specific nutrition implications for each diet. In addition, patients receiving swallowed steroids may have feeding dysfunction and need support for growth and nutrition intake. A multidisciplinary approach to care, including a dietitian, is integral to EoE management.
Network characteristics and organizational innovation capability: A study of the inter‐organizational collaboration network of new drug development in Shanghai, China
Authors: Xu Lu , Yan Jie , Xiong Jie
Published: November 2019

The size of organizational network, organizations' betweenness centrality and structural hole exert positive effects on organizational innovation capability. The intermediary effect of structural hole on organizational innovation capability is not significant. These outcomes enrich the understanding of the promoting effect of the inter‐organizational network on organizational innovation performance in general. The findings contribute to business practitioners in high‐tech clusters on their capability development.
Biodegradation and Ecotoxicity of Branched Alcohol Ethoxylates: Application of the Target Lipid Model and Implications for Environmental Classification
Authors: Bragin Gail E. , Davis Craig Warren , Kung Ming H. , Kelley Barbara A. , Sutherland Cary A. , Lampi Mark A.
Published: November 2019

With the advent of global regulations for safer detergent and an emphasis on a shift toward more environmentally friendly formulations, the environmental profile of surfactant chemistries have moved to the forefront of product formulation and design. The two cornerstones of surfactant environmental profiles are the ability to biodegrade in the natural environment and the ecological hazard profile. The objectives of this article are to describe biodegradation and aquatic toxicity data for a series of branched oxo‐alcohol ethoxylate (AEO) surfactants; to apply the target lipid model (TLM) for deriving model‐based threshold hazard concentrations (HC5) of AEO; and, finally, to accurately determine aquatic classifications for AEO surfactants for use in regulatory classification frameworks. Biodegradation results indicate a high level of biodegradability of branched AEO, with C8–C13‐rich oxo‐alcohols with 1–20 mol of ethoxylate meeting the readily biodegradable criteria. Results from acute and chronic toxicity tests indicated comparable or lesser aquatic toxicityversuslinear AEO structures previously reported in the literature. The TLM model, applieda priori, resulted in good agreement with acute toxicity data (RMSE = 0.49) and is comparable to the root mean square errors (RMSE) previously determined for other narcotic chemicals (RMSE = 0.46–0.57). Model errors for invertebrates and fish were smaller than those for algae, with the TLM systematically overpredicting acute and chronic classification of two of seven branched AEO. Furthermore, TLM‐predicted HC5 values were determined to be sufficiently conservative, with 100% of observed chronic data (N= 79) falling above the HC5 threshold values, providing a useful tool for the risk assessment of AEO.
Determination of the geographical origin of maize (Zea mays L.) using mineral element fingerprints
Authors: Wang Feng , Zhao Haiyan , Yu Chundi , Tang Juan , Wu Wei , Yang Qingli
Published: November 2019

BACKGROUND

Maize (Zea mays L.) is a staple cereal crop and feed crop throughout the world. In this article, a mineral element fingerprinting technique was applied to single out suitable element indicators to determine the geographical origin of maize. A total of 90 fresh maize samples were collected in 2107 from Jilin, Gansu, and Shandong provinces in China. The contents of 25 mineral elements in all maize samples were measured by inductively coupled plasma mass spectrometry (ICP‐MS). The composition of mineral elements was analyzed by multivariate statistical analysis, including one‐way analysis of variance (one‐way ANOVA), principal component analysis (PCA), k‐nearest neighbor (KNN) analysis, and stepwise linear discriminant analysis (SLDA).

RESULTS

As compared by one‐way ANOVA, the contents of 19 mineral elements in maize samples were significantly different among three provinces. Principal component analysis based on these 19 elements could obtain preliminary visual classification groups of maize samples. K‐nearest neighbor analysis produced a total correct classification rate of 83.9% on the training set, and 82.2% on the prediction set. The SLDA model, based on eight indicative elements (Na, Cr, Rb, Sr, Mo, Cs, Ba, and Pb) obtained a total correct classification rate of 92.2% with cross‐validation.

CONCLUSION

The mineral element fingerprinting technique combined with multivariate statistical analysis could be a helpful method to identify the geographical origin of maize. © 2019 Society of Chemical Industry
Posttraumatic Stress Symptoms and Coping Motives Mediate the Association Between Childhood Maltreatment and Alcohol Problems
Authors: Park Tristan , Thompson Kara , Wekerle Christine , Al‐Hamdani Mohammed , Smith Savanah , Hudson Amanda , Goldstein Abby , Stewart Sherry H.
Published: November 2019

Childhood maltreatment is associated with increased risk of alcohol misuse. Posttraumatic stress symptoms (PTSS) and coping motives have both been identified, separately, as mediators of the relation between childhood maltreatment and alcohol misuse but have yet to be examined as serial mediators in a high‐risk population. A total of 564 adolescents (53.7% female; M age = 15.9 years, SD = 1.1) in the care of child welfare services completed validated measures of childhood trauma, PTSS, drinking motives, and alcohol misuse across the first two waves (baseline and 6‐month follow‐up) of the Maltreatment and Adolescent Pathways (MAP) longitudinal study. Childhood maltreatment was associated with elevated PTSS, PTSS predicted higher coping motives, and coping motives were associated with higher levels of alcohol misuse, indirect effect (IE) = 0.03; 95% CI [0.00, 0.07]. Single mediator models with PTSS, IE = 0.03; 95% CI [−0.01, 0.05], and coping motives, IE = −0.02, 95% CI [−0.05, 0.03], as mediators were not statistically significant. The results suggest that PTSS and coping motives contribute sequentially to the association between childhood maltreatment and alcohol misuse and could thus both serve as intervention targets to prevent problem drinking in maltreated youth.
Influences of Landscape Features on Bat Activity in North Dakota
Authors: Nelson Josiah J. , Gillam Erin H.
Published: November 2019

Land conversion and modification threatens many wildlife and plant species in the northern Great Plains, including bats. Our objective was to assess the association of bat species with landscape features in the northern Great Plains of North Dakota, USA, taking the first step towards understanding the habitat needs of bats in this region. We examined patterns of bat activity across different landscapes, identified those landscape features associated with high levels of bat activity, and determined which specific land features (i.e., vegetation and water types) were most commonly associated with each bat species. We used passive acoustic monitoring to measure bat activity at sites across North Dakota, and assessed detailed land characteristics at each site. We used nonmetric multidimensional scaling and multivariate regression tree analysis to examine relationships between bat activity and landscape variables. Bat foraging activity was influenced by structural landscape characteristics and the availability of specific water resources. High levels of bat activity were associated with riparian forested areas of varying structural complexity, ponds, and, to a lesser extent, open riparian lands. Individual bat species were influenced by land type and water resources differently. We identified big brown bats (Eptesicus fuscus) and little brown bats (Myotis lucifugus) as indicators of open riparian and pond landscapes, respectively. These results highlight the importance of prairie riparian landscapes and maintaining heterogeneity across the landscape for conservation and management of bat communities. Further, we identified ponds as an important landscape feature for little brown bats, a species of conservation concern, indicating that this specific feature should be a focus of conservation efforts on prairie wetlands. © 2019 The Wildlife Society.
Meeting Report: The Dallas Consensus Conference on Liver Transplantation for Alcohol Associated Hepatitis
Authors: Asrani Sumeet K. , Trotter James , Lake Jack , Ahmed Aijaz , Bonagura Anthony , Cameron Andrew , DiMartini Andrea , Gonzalez Stevan , Im Gene , Martin Paul , Mathurin Philippe , Mellinger Jessica , Rice John P. , Shah Vijay H. , Terrault Norah , Wall Anji , Winder Scott , Klintmalm Goran
Published: November 2019

Liver transplantation (LT) for alcohol associated hepatitis (AH) remains controversial. We convened a consensus conference to examine various aspects of LT for AH. The goal was not to unequivocally endorse LT for AH; instead, it was to propose recommendations for programs that perform or plan to perform LT for AH. Criteria were established to determine candidacy for LT in the setting of AH and included the following: (1) AH patients presenting for the first time with decompensated liver disease that are nonresponders to medical therapy without severe medical or psychiatric comorbidities; (2) a fixed period of abstinence prior to transplantation is not required; and (3) assessment with a multidisciplinary psychosocial team, including a social worker and an addiction specialist/mental health professional with addiction and transplantation expertise. Supporting factors included lack of repeated unsuccessful attempts at addiction rehabilitation, lack of other substance use/dependency, acceptance of diagnosis/insight with a commitment of the patient/family to sobriety, and formalized agreement to adhere to total alcohol abstinence and counseling. LT should be avoided in AH patients who are likely to spontaneously recover. Short‐term and longterm survival comparable to other indications for LT must be achieved. There should not be further disparity in LT either by indication, geography, or other sociodemographic factors. Treatment of alcohol‐use disorders should be incorporated into pre‐ and post‐LT care. The restrictive and focused evaluation process described in the initial LT experience for AH worldwide may not endure as this indication gains wider acceptance at more LT programs. Transparency in the selection process is crucial and requires the collection of objective data to assess outcomes and minimize center variation in listing. Oversight of program adherence is important to harmonize listing practices and outcomes.
Autologous Adipose Tissue–Derived Mesenchymal Stem Cells Introduced by Biliary Stents or Local Immersion in Porcine Bile Duct Anastomoses
Authors: Zhang Yi , Sharma Ayushman , Joo Dong Jin , Nelson Erek , AbuRmilah Anan , Amiot Bruce P. , Boyer Christen J. , Alexander Jonathan S. , Jalan‐Sakrikar Nidhi , Martin John , Moreira Roger , Chowdhury Shiraj A. , Smart Michele , Dietz Allan B. , Nyberg Scott L. , Heimbach Julie K. , Huebert Robert C.
Published: November 2019

Biliary complications (strictures and leaks) represent major limitations in living donor liver transplantation. Mesenchymal stem cells (MSCs) are a promising modality to prevent biliary complications because of immunosuppressive and angiogenic properties. Our goal was to evaluate the safety of adipose‐derived MSC delivery to biliary anastomoses in a porcine model. Secondary objectives were defining the optimal method of delivery (intraluminal versus extraluminal) and to investigate MSC engraftment, angiogenesis, and fibrosis. Pigs were divided into 3 groups. Animals underwent adipose collection, MSC isolation, and expansion. Two weeks later, animals underwent bile duct transection, reanastomosis, and stent insertion. Group 1 received plastic stents wrapped in unseeded Vicryl mesh. Group 2 received stents wrapped in MSC‐seeded mesh. Group 3 received unwrapped stents with the anastomosis immersed in an MSC suspension. Animals were killed 1 month after stent insertion when cholangiograms and biliary tissue were obtained. Serum was collected for liver biochemistries. Tissue was used for hematoxylin‐eosin and trichrome staining and immunohistochemistry for MSC markers (CD44 and CD34) and for a marker of neoangiogenesis (CD31). There were no intraoperative complications. One pig died on postoperative day 3 due to acute cholangitis. All others recovered without complications. Cholangiography demonstrated no biliary leaks and minimal luminal narrowing. Surviving animals exhibited no symptoms, abnormal liver biochemistries, or clinically significant biliary stricturing. Group 3 showed significantly greater CD44 and CD34 staining, indicating MSC engraftment. Fibrosis was reduced at the anastomotic site in group 3 based on trichrome stain. CD31 staining of group 3 was more pronounced, supporting enhanced neoangiogenesis. In conclusion, adipose‐derived MSCs were safely applied to biliary anastomoses. MSCs were locally engrafted within the bile duct and may have beneficial effects in terms of fibrosis and angiogenesis.
Multilayered Activatable Nanoprobe for Ultra‐Bright Tumor Imaging
Authors: Lee Seung Koo , Han Myung Shin , Zhang Weiqi , Tung Ching‐Hsuan
Published: November 2019

The development of tumor targeted probes with strong signal and high contrast is always challenging in cancer imaging. Here, a unique multilayered activatable nanoprobe (MAN) is prepared to fulfill this long‐standing goal. MAN adopts a versatile layer‐by‐layer fabrication technique that sequentially assembles multifunctional polyelectrolytes onto nanoparticles via charge‐charge interaction. Unlike the common one‐probe‐one‐fluorochrome construct, MAN offers a dramatic fluorescence enhancement by transporting a large quantity of quenched fluorochromes for maximal signal and contrast. Excellent signal amplification and retention with negligible cytotoxicity is observed in cell study. Upon systemic injection into mice, MAN quickly accumulates in tumor and its fluorescent signal is turned on by proteases overexpressed in tumors, resulting in >700% tumor‐to‐normal‐tissue contrast. This multilayered fabrication provides a simple and powerful universal platform to design sensitive tumor imaging probes.
Lysosome assembly and disassembly changes endocytosis rate through the Leishmania cell cycle
Authors: Wang Ziyin , Wheeler Richard J. , Sunter Jack D.
Published: November 2019

The Leishmania lysosome has an atypical structure, consisting of an elongated vesicle‐filled tubule running along the anterior–posterior axis of the cell, which is termed the multivesicular tubule (MVT) lysosome. Alongside, the MVT lysosome is one or more microtubules, the lysosomal microtubule(s). Previous work indicated there were cell cycle‐related changes in MVT lysosome organization; however, these only provided snapshots and did not connect the changes in the lysosomal microtubule(s) or lysosomal function. Using mNeonGreen tagged cysteine peptidase A and SPEF1 as markers of the MVT lysosome and lysosomal microtubule(s), we examined the dynamics of these structures through the cell cycle. Both the MVT lysosome and lysosomal microtubule(s) elongated at the beginning of the cell cycle before plateauing and then disassembling in late G2 before cytokinesis. Moreover, the endocytic rate in cells where the MVT lysosome and lysosomal microtubule(s) had disassembled was extremely low. The dynamic nature of the MVT lysosome and lysosomal microtubule(s) parallels that of the Trypanosoma cruzi cytostome/cytopharynx, which also has a similar membrane tubule structure with associated microtubules. As the cytostome/cytopharynx is an ancestral feature of the kinetoplastids, this suggests that the Leishmania MVT lysosome and lysosomal microtubule(s) are a reduced cytostome/cytopharynx‐like feature.
The spectral linear filter method for a stochastic optimal control problem of partially observable systems
Authors: Poursherafatan Ali , Delavarkhalafi Ali
Published: November 2019

In this paper, two spectral methods are presented to solve a stochastic optimal control problem of a partially observable system. These two methods work together to solve such problems. In fact, solving such problems involves two cases: obtaining the control function and simulating the partially observable system. At first, a spectral linear filter is defined as a function of time to obtain an appropriate solution for a partially observable system. This linear filter is equipped with an orthogonal basis and it is made to predict the future behavior of this system. In this method, the goal is to approximate the trend of the partially observable system. The second method is suggested to achieve the optimal control corresponding to each sample path. In this method, the spectral Fourier transform is used. These two methods are used together to solve linear and nonlinear cases. In fact, the innovative contents of this paper are both the spectral linear filter and the suggested spectral optimal control method.
Linking Antioxidant Depletion with Material Properties for Polyethylene Pipes Resins
Authors: Byrne Nolene , De Silva Rasike , Hilditch Tim
Published: November 2019

Plastic pipes used in gas distribution networks are typically made from polyethylene (PE) and are stabilized against degradation by antioxidants. Over time, the antioxidant is consumed and the polymer integrity can become compromised. The rate of antioxidant depletion can be dependent on the specific grade of PE and the surrounding environment. In this research, the crystallinity, tensile strength, Young's modulus, and strain at break were measured for the four most commonly used PE pipe resins in the Australian natural gas distribution network as a function of antioxidant content. A relationship between the changes in material properties with antioxidant consumption was established. By measuring the carbonyl index (CI), which quantifies the amount of degradation products present, and linking this with the oxygen induction time (OIT), it was found that three clear regions exist for all investigated PE resins. These distinct regions of the OIT–CI relationship correlate with regions of substantially different rate of change in material properties, and hence indicate a measure of the integrity of the PE. POLYM. ENG. SCI., 60: 323–329, 2019. © 2019 Society of Plastics Engineers
The Potential Use of Epoxy‐POSS as a Reactive Hybrid Compatibilizers for PLA/PBAT Blends: “Effect of PBAT Molecular Weight and POSS Type”
Authors: Kilic Nilay Tuccar , Can Buse Nur , Kodal Mehmet , Ozkoc Guralp
Published: November 2019

This article focuses on the effect of molecular weight of poly(butylene adipate‐co‐terephthalate) (PBAT) on the immiscible poly(lactic acid) (PLA)/PBAT blends compatibilized with epoxidized polyhedral oligomeric silsesquioxanes (Epoxy‐POSSs) having different numbers of epoxy groups per molecule. Mechanical, thermomechanical, thermal, rheological, and morphological properties of the blends were investigated as a function of PBAT molecular weight and epoxy‐POSS type. Mechanical tests revealed that all epoxy‐POSS types significantly improved the performance of the blends containing low‐molecular‐weight PBAT. On the other hand, epoxy‐POSS with three epoxy functional groups (TriEpPOSS) and Epoxy‐POSS with multiple‐epoxy functional groups (MuEpPOSS) only slightly improved the performance of blends with high‐molecular‐weight PBAT. Thermomechanical and thermal test results supported that the compatibilization effects of the epoxy‐POSSs were more prominent in the PLA/PBAT blends with low‐molecular‐weight PBAT due to the observation of the shifts in the glass transition temperatures of the PLA phase. According to the rheological results, the addition of epoxy‐POSSs increased the interactions between the PLA and PBAT phases much more effectively in the PLA/PBAT with low‐molecular‐weight PBAT. The dispersed phase size of the PBAT further decreased in the low‐molecular‐weight PLA/PBAT blend system due to the enhanced compatibility much better. POLYM. ENG. SCI., 60: 398–413, 2019. © 2019 Society of Plastics Engineers
The study of palm‐oil‐based bio‐polyol on the morphological, acoustic and mechanical properties of flexible polyurethane foams
Authors: Zhang Dan , Chen Shuming
Published: November 2019

The focus of this paper was to explore the acoustic properties of flexible polyurethane (FPU) foam modified by palm‐oil‐based polyol (POP). The presence of POP showed a marked influence on the microstructure and mechanical properties of FPU foam. A smaller mean pore diameter can be observed at lower POP content. Indeed, the introduction of POP caused a higher closed pore ratio and an increased air‐flow resistivity, which consequently improved the sound absorption coefficient and transmission loss. In particular, the acoustic performance of the all bio‐based FPU foam was enhanced at low frequency, and the density was lower than that of the reference foam. Additionally, the addition of POP also improved the compressive strength. Conversely, the tensile strength of FPU foam declined with increasing POP content. From this study, the outstanding acoustic ability of bio‐based FPU foam has been proved, with additional advantages of lower density and higher compressive strength. © 2019 Society of Chemical Industry
Redox‐responsive polyethyleneimine‐coated magnetic iron oxide nanoparticles for controllable gene delivery and magnetic resonance imaging
Authors: Peng Si , Wang Qiu‐yue , Xiao Xue , Wang Rui , Lin Juan , Zhou Qing‐han , Wu Li‐na
Published: November 2019

Recently, theranostic candidates that provide a combination of gene delivery and image diagnosis have attracted much interest in medical research. However, there are still many challenges for their clinical applications, such as uncontrollable gene delivery, high cytotoxicity, low transfection efficiency and reduced image contrast. Herein, redox‐responsive polyethyleneimine‐coated magnetic iron oxide nanoparticles (IONs@rPEI) were prepared for both efficient gene delivery and magnetic resonance (MR) imaging. Firstly, crosslinked rPEI was synthesized by Michael addition reaction with N,N‐bis(acryloyl)cystamine, dopamine and low‐molecular‐weight branched PEI. The rPEI was then coated onto IONs by ligand exchange reaction forming IONs@rPEI. The physicochemical properties of the IONs@rPEI, such as chemical structure, size, zeta potential and DNA condensation ability, were investigated. In addition, a rapid degradation of the as‐prepared nanoparticles was observed, which was triggered by reducing glutathione via destruction of disulfide linkages suggesting a potential controllable DNA release in tumor cells. In MR imaging detection, the IONs@rPEI had a high T2 relaxivity of 81 L mmol−1 s−1 indicating a potential usage as MR imaging contrast reagent. In cell assay, the IONs@rPEI exhibited low cytotoxicity and good transfection efficiency. In conclusion, the as‐prepared crosslinked IONs@rPEI can be used as a promising technology platform for gene therapy and MR imaging in theranostics. © 2019 Society of Chemical Industry
When mental illness and cancer collide: An investigation of the predictors of outcomes for cancer patients with a history of mental health problems
Authors: Hemmington Amy , Huang Daisy , Coomarasamy Christin , Young Marie J. , Consedine Nathan S. , Reynolds Lisa M.
Published: November 2019

Objective

People with a serious mental health condition are no more likely to receive a diagnosis of cancer than the general population but fare more poorly in terms of outcomes. The current study investigated whether a background of mental health problems (measured by contact with mental health services and psychotropic medication) predicted treatment outcomes over and above demographic and medical confounds for cancer patients at Counties Manukau Health.

Methods

The sample consisted of 1652 patients diagnosed with cancer in the period 1 January 2016 to 31 December 2016. The sample was split into three groups: non‐mental health, moderate mental health, and serious mental health.

Results

Patients in the serious and moderate mental health groups were more likely to have physical comorbidities. Those in the serious mental health group were also marginally more likely to have advanced cancer at diagnosis. There were no differences between groups in terms of treatment delays, but patients in the serious mental health group were more likely to be hospitalised and die in the 12 months following diagnosis. Whilst differences in mortality may be explained by greater clinical complexity (being older, having other physical comorbidities) and later stage at presentation, mental health history was independently associated with hospitalisations.

Conclusions

Cancer patients with a history of more serious mental health issues fare more poorly than those with moderate mental health issues or no such history. The clinical complexity of working with these patients, indexed by mental and physical comorbidities, may be a factor contributing to this disparity.
Room Temperature Synthesis of Phosphine‐Capped Lead Bromide Perovskite Nanocrystals without Coordinating Solvents
Authors: Ambroz Filip , Xu Weidong , Gadipelli Srinivas , Brett Dan J. L. , Lin Chieh‐Ting , Contini Claudia , McLachlan Martyn A. , Durrant James R. , Parkin Ivan P. , Macdonald Thomas J.
Published: November 2019

The room temperature synthesis of perovskite nanocrystals (NCs) is typically achieved by employing a ligand‐assisted reprecipitation (LARP) method, which can be handled in air, and its products are comparable to what is obtained using the traditional hot‐injection method. However, the LARP method typically requires the use of coordinating polar solvents such as dimethylformamide, which are not appropriate for large‐scale production due to toxicity concerns and can also degrade or form defective perovskite NCs. Herein, an amine and oleic‐acid‐free room temperature synthesis of lead bromide perovskite NCs is reported that uses a combination of trioctylphosphine oxide and diisooctylphosphinic acid ligands. This combination of ligands provides a stable platform for the polar‐solvent‐free synthesis in air of fully inorganic CsPbBr3 (fwhm ≈ 14 nm, emission = 519 nm) and hybrid organic‐inorganic FAPbBr3 (fwhm ≈ 19 nm) NCs with photoluminescence emission between 530 and 535 nm, which is in line with the Rec. 2020 color standards. In addition, it is shown that compared to a traditionally used ligand combination, phosphine ligands can be easily removed from the surface of the NCs, which is important for the future development of this technology in optoelectronic devices.
Silicon‐Based Photonic Architectures from Hierarchically Porous Carbon Opals
Authors: Gil‐Herrera Luz Karime , Gallego‐Gómez Francisco , Torres‐Pardo Almudena , González‐Calbet Jose M. , Palomares Francisco J. , Blanco Alvaro , Juárez Beatriz H. , López Cefe
Published: November 2019

Silicon‐based materials are needed in cutting‐edge technological fields, for which hierarchical porosity and photonic properties help improve performance. In this work, the versatility of several fabrication routes that combine silicon infiltration by chemical vapor deposition (CVD), reactive ion etching (RIE), and carbon calcination, which produce a palette of novel silicon‐based material architectures, is demonstrated. Design strategies are discussed and the main features of the processing steps are addressed to provide a variety of new silicon‐based materials with high morphological versatility and photonic quality. Three‐dimensional hollow carbon opals (HCO) permit control of the porosity of subsequent architectures through the initial silicon infiltration, while open or closed surfaces are achieved primarily as a function of RIE conditions. The composition of derived structures depends on the sequence in which the processes are applied. As a result, pure Si and hybrid C–Si inverse structures can be produced with open or closed spheres in the top layer and with an optional passivation layer. Remarkably, by properly choosing the Si infiltration parameters and the calcination/RIE procedure, final structures are achieved with double‐shell spheres.
Multistate quantile regression models
Authors: Farcomeni Alessio , Geraci Marco
Published: November 2019

We develop regression methods for inference on conditional quantiles of time‐to‐transition in multistate processes. Special cases include survival, recurrent event, semicompeting, and competing risk data. We use an ad hoc representation of the underlying stochastic process, in conjunction with methods for censored quantile regression. In a simulation study, we demonstrate that the proposed approach has a superior finite sample performance over simple methods for censored quantile regression, which naively assume independence between states, and over methods for competing risks, even when the latter are applied to competing risk data settings. We apply our approach to data on hospital‐acquired infections in cirrhotic patients, showing a quantile‐dependent effect of catheterization on time to infection.
Effect of Flow Field on Surface Slag Entrainment and Inclusion Adsorption in a Continuous Casting Mold
Authors: Zhang Kai-Tian , Liu Jian-Hua , Cui Heng
Published: November 2019

A water model of slab mold was established to analyze the flow field behaviors. Particle image velocimetry measurement, fluctuation sensors, and industrial experiments were adopted to analyze the slag entrainment and inclusion adsorption. The risk of surface slag entrainment was discussed from the perspectives of flow patterns, surface fluctuation, and velocity. The ability of mold slag to adsorb inclusions was discussed by electrolysis on slab samples. The results reflected that the flow field determined the fluctuated amplitude, surface pattern and flow velocity of the mold surface, playing an important role in the slag entrainment and inclusion adsorption. Uneven surface fluctuations and downward vertical velocity lead to high slag entrapping risk. High surface horizontal velocity in mold leads to a higher inclusion concentration gradient at the slag‐steel interface, which leads to a stronger ability of mold slag to adsorb inclusions.
Additive Manufacturing of a Cold‐Work Tool Steel using Electron Beam Melting
Authors: Botero Carlos , Ramsperger Markus , Selte Aydin , Åsvik Kenneth , Koptyug Andrey , Skoglund Per , Roos Stefan , Rännar Lars-Erik , Bäckström Mikael
Published: November 2019

Metal additive manufacturing (AM) is on its way to industrialization. One of the most promising techniques within this field, electron beam melting (EBM), is nowadays used mostly for the fabrication of high‐performance Ti‐based alloy components for the aerospace and medical industry. Among the industrial applications envisioned for the future of EBM, the fabrication of high carbon steels for the tooling industry is of great interest. In this context, the process windows for dense and crack‐free specimens for a highly alloyed (Cr–Mo–V) cold‐work steel powder are presented in this article. High‐solidification rates during EBM processing lead to very fine and homogeneous microstructures. The influence of process parameters on the resulting microstructure and the chemical composition is investigated. In addition, preliminary results show very promising mechanical properties regarding the as‐built and heat‐treated microstructure of the obtained material.
RAD‐Seq Refines Previous Estimates of Genetic Structure in Lake Erie Walleye
Authors: Chen Kuan‐Yu , Euclide Peter T. , Ludsin Stuart A. , Larson Wesley A. , Sovic Michael G. , Gibbs H. Lisle , Marschall Elizabeth A.
Published: November 2019

Delineating population structure helps fishery managers to maintain a diverse “portfolio” of local spawning populations (stocks), as well as facilitate stock‐specific management. In Lake Erie, commercial and recreational fisheries for WalleyeSander vitreusexploit numerous local spawning populations, which cannot be easily differentiated using traditional genetic data (e.g., microsatellites). Here, we used genomic information (12,264 polymorphic loci) generated using restriction site‐associatedDNAsequencing to investigate stock structure in Lake Erie Walleye. We found low genetic divergence (genetic differentiation indexFST = 0.0006–0.0019) among the four Lake Erie western basin stocks examined, which resulted in low classification accuracies for individual samples (40–60%). However, more structure existed between western and eastern Lake Erie basin stocks (FST = 0.0042–0.0064), resulting in greater than 95% classification accuracy of samples to a lake basin. Thus, our success in using genomics to identify stock structure varied with spatial scale. Based on our results, we offer suggestions to improve the efficacy of this new genetic tool for refining stock structure and eventually determining relative stock contributions in Lake Erie Walleye and other Great Lakes populations.
Investigation on seismic performance and shear strength of high‐strength concrete‐filled polyvinyl chloride tube short columns
Authors: Xue Jianyang , Zhao Xiangbi , Zhang Fengliang , Ke Xiaojun , Ma Linlin , Xu Dan
Published: November 2019

This paper innovatively designs polyvinyl chloride tube (PVCT) with high‐strength concrete (HC) and presents the results of cyclic loading tests on new reinforced high‐strength concrete short columns, including three high‐strength concrete‐filled PVCT (HC‐PVCT) short columns, one high‐strength concrete‐filled steel tube short column and one HC short column. The main objective of this research was to evaluate the seismic behaviors of HC short columns based on the quasistatic test of the columns. The design parameters of the columns in the experiments were axial compression ratio, reinforcement measures, concrete strength, stirrups configuration, and the height‐diameter ratio of tubes. The crack distribution, failure modes, hysteresis loops, skeleton curves, energy dissipation capacity, strength degradation, stiffness degradation, and cumulative damage of the columns were presented and analyzed. The results showed that the HC‐PVCT column had a fuller hysteretic loop and a higher peak load than the HC column. Compared with HC column, the strength degradation of HC‐PVCT columns was slower, and the ductility increased significantly. With a larger axial compression ratio, the ductility of HC‐PVCT columns was decreased. Based on the test and analysis results, a modified HC‐PVCT design method was proposed to calculate the nominal shear strength of HC‐PVCT short columns.
Gallium and Indium Alkoxides with Hydride, Cyclopentadienediide and Copper(I) tert‐Butoxide as further Components
Authors: Veith Michael , Summa Daniela , Annel Uwe , Huch Volker
Published: November 2019

Gallium hydride stabilized by the base quinonuclidine reacts with acetone under addition of the Ga‐H function to the carbon–oxygen double bond yielding (HGa)5(OiPr)8O (1) as isolable compound. (HGa)5(OiPr)8O may be formally split in to four entities of HGa(OiPr)2 and one entity HGaO. The inner atomic skeleton of 1 is a novel Ga5O9 heterocluster with gallium atoms occupying the corners of a distorted trigonal bi‐pyramid, an oxygen atom in the center and the remaining alcoholate oxygen atoms bridging eight of the nine edges of the bi‐pyramid (X‐ray diffraction analysis). Potassium indium alkoxide KIn(OtBu)4 has been used to synthesize several new compounds like In4(OtBu)8(C5H4)2 (2), (py)2CuIn(OtBu)4 (3), and [CuIn(OtBu)4]2 (4) by reaction with TiCl2cp2 (2) and CuCl (3, 4). All compounds were characterized by spectroscopic means and by X‐ray structure analyses revealing novel polycyclic structures.