bluuebunny/crossref_metadata_2025_split huggingface dataset:
Avoiding unnecessary demerging and remerging of multi‐commodity integer flows
Authors: Lin Zhiyuan , Kwan Raymond S. K. 
Published: July 2020

AbstractResource flows may merge and demerge at a network node. Sometimes several demerged flows may be immediately merged again, but in different combinations compared to before they were demerged. However, the demerging is unnecessary in the first place if the total resources at each of the network nodes involved remains unchanged. We describe this situation as “unnecessary demerging and remerging (UDR)” of flows, which would incur unnecessary operations and costs in practice. Multi‐commodity integer flows in particular will be considered in this paper. This deficiency could be theoretically overcome by means of fixed‐charge variables, but the practicality of this approach is restricted by the difficulty in solving the corresponding integer linear program (ILP). Moreover, in a problem where the objective function has many cost elements, it would be helpful if such operational costs are optimized implicitly. This paper presents a heuristic branching method within an ILP solver for removing UDR without the use of fixed‐charge variables. We use the concept of “flow potentials” (different from “flow residuals” for max‐flows) guided by which underutilized arcs are heuristically banned, thus reducing occurrences of UDR. Flow connection bigraphs and flow connection groups (FCGs) are introduced. We prove that if certain conditions are met, fully utilizing an arc will guarantee an improvement within an FCG. Moreover, a location sub‐model is given when the former cannot guarantee an improvement. More importantly, the heuristic approach can significantly enhance the full fixed‐charge model by warm‐starting. Computational experiments based on real‐world instances have shown the usefulness of the proposed methods.
A precise critical time step formula for the explicit material point method
Authors: Ni Ruichen , Zhang Xiong 
Published: July 2020

SummaryThe material point method (MPM) combines Eulerian method and Lagrangian method and thus both Lagrangian particle position and interaction between neighboring Eulerian grid cells will affect the simulation stability. However, the original critical time step formula in the standard MPM does not reflect the effect of particle position and neighboring cell interaction on stability and overestimates the critical time step so much that the CFL number has to be very small, even smaller than 0.1, to obtain a stable solution at extreme particle positions. Therefore, in many engineering applications, the standard MPM is very expensive due to the small CFL number. In this article, the effect of particle position and neighboring cell interaction on stability of the explicit MPM is studied. An explicit critical time step formula is obtained based on the system eigenvalues in one dimension, and is then extended to two and three dimensions. For extreme deformation problems, the geometric stiffness matrix is taken into consideration which modifies the sound speed of particles in the critical time step formula. Several tests are performed to verify our formula and show a decrease in amount of time steps used for simulation with our formula comparing with the original formula.
The numerical analysis of two linearized difference schemes for the Benjamin–Bona–Mahony–Burgers equation
Authors: Zhang Qifeng , Liu Lingling , Zhang Jiyuan 
Published: July 2020

AbstractIn the article, two linearized finite difference schemes are proposed and analyzed for the Benjamin–Bona–Mahony–Burgers (BBMB) equation. For the construction of the two‐level scheme, the nonlinear term is linearized via averaging k and k + 1 floor, we prove unique solvability and convergence of numerical solutions in detail with the convergence order O(τ2 + h2). For the three‐level linearized scheme, the extrapolation technique is utilized to linearize the nonlinear term based on ψ function. We obtain the conservation, boundedness, unique solvability and convergence of numerical solutions with the convergence order O(τ2 + h2) at length. Furthermore, extending our work to the BBMB equation with the nonlinear source term is considered and a Newton linearized method is inserted to deal with it. The applicability and accuracy of both schemes are demonstrated by numerical experiments.
One‐pot tandem ring‐opening polymerization of N‐sulfonyl aziridines and “click” chemistry to produce well‐defined star‐shaped polyaziridines
Authors: Luo Wenyi , Wang Ying , Jin Yaocheng , Zhang Zhen , Wu Chuande 
Published: July 2020

AbstractAn effective approach for fast synthesis of well‐defined star‐shaped poly(2‐methyl‐N‐tosylaziridine)s was developed by one‐pot tandem ring‐opening polymerization (ROP) of N‐sulfonyl aziridines with trimethylsilyl azide (TMSN3) and “click” reaction with alkynes. Azido terminated polyaziridines (α‐N3‐PAzs) could be achieved via ROP of N‐sulfonyl aziridines with TMSN3 in the presence of organic superbases. The catalytic efficiency of organobases, including 1,4‐diazabicyclo[2.2.2]octane (DABCO), 1,8‐diazabicyclo[5.4.0]‐7‐undecene (DBU), 7‐methyl‐1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (MTBD), 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (TBD), and N,N,N′,N″,N″‐pentamethyldiethylenetriamine (PMDETA), was evaluated, and all of them except TBD afforded “living”/controlled ROP of 2‐methyl‐N‐tosylaziridines (TsMAz). Star‐shaped polyaziridines were then fastly synthesized by the one‐pot tandem strategy. During the reaction process, PMDETA catalyzed ROP first, then was triggered to be a ligand by adding CuBr for “click” reaction. Well‐defined 3‐ and 4‐arm star P(TsMAz)s were successfully prepared, and subsequently desulfonylated to give star‐shaped polypropylenimines (PPIs). PPI stars exhibited intrinsic photoluminescence properties from the polyamine arms.
Institutional capacity to provide psychosocial care in cancer programs: Addressing barriers to delivering quality cancer care
Authors: Kayser Karen , Brydon Daphne M. , Moon Heehyul , Zebrack Brad 
Published: July 2020

AbstractObjectiveThis study investigates barriers and promoters to delivering quality psychosocial services in 58 cancer programs across North America.MethodsOncology care providers (n = 2008) participated in a survey in which they identified barriers and promoters for delivering psychosocial care at their respective institutions. Multilevel modeling was used to examine (a) the extent to which provider and institutional characteristics were associated with the most common barriers, and (b) associations between perceived barriers and institutional capacity to deliver psychosocial services as measured by the Cancer Psychosocial Care Matrix.ResultsAcross 58 Commission on Cancer‐accredited programs in North America, the most frequently reported barriers were inadequate number of psychosocial care personnel, lack of funding, inadequate amount of time, lack of systematic procedures, and inadequate training for oncology providers. Overall, there were few significant differences in reported barriers by type of institution or type of provider. In general, the most frequently reported barriers were significantly associated with the institution's capacity to deliver quality psychosocial care. In particular, the lack of a systematic process for psychosocial care delivery significantly predicted lower levels of institutional capacity to deliver quality psychosocial care.ConclusionsWhen identifying barriers, respondents reported a greater number of institutional barriers than barriers related to individual provider or patient characteristics. These results present a compelling case for cancer programs to implement and monitor systematic procedures for psychosocial care and to integrate these procedures in routine clinical practice.
Quantifying continuous nebulization via high flow nasal cannula and large volume nebulizer in a pediatric model
Authors: Moody Gerald B. , Ari Arzu 
Published: July 2020

AbstractBackgroundUse of high flow nasal cannula (HFNC) to deliver aerosolized medications to children has gained considerable interest. However, data on continuous albuterol delivery (CAD) via HFNC are lacking. This study quantified CAD via HFNC/vibrating mesh nebulizer (VMN) and large‐volume jet nebulizer (LVN) with face mask (FM) in a pediatric model. Aerosol delivery with two HFNC cannula designs were also compared.MethodsA pediatric manikin was connected to a lung simulator (Vt = 150 mL, RR = 28 breaths/minute, I:E 1:2.4) via collecting filter at the carina. XL Pediatric and SML Adult HFNC designs were tested to determine optimal cannula design for CAD. VMN was placed Before humidifier (37°C), albuterol (5 mg/mL) was nebulized at 3, 6, and 12 L/minute (n = 3). To compare HFNC/VMN with LVN and FM, albuterol (15 mg/hour) was aerosolized for 3 hours/device (n = 3). LVN was connected to FM and filled with 9 mL of albuterol (5 mg/mL) and 66 mL of normal saline to deliver 25 mL/hour at 13 L/minute. VMN was connected to the infusion pump to deliver 7.5 mL/hr of albuterol (2 mg/mL). Drug eluted from filters was assayed with UV spectrophotometry (276 nm).ResultsOptimal aerosol delivery occurred at 3 L/minute (12.6% ± 0.5%) with SML Adult HFNC (P = .04). When used for CAD, inhaled drug delivery with HFNC/VMN (2.2 mg/hr ± 0.1, 14.8% ± 0.7%) was significantly greater than LVN and FM (0.48 ± 0.09 mg/hour, 3.2% ± 0.6%) (P = .001).ConclusionsAdministration of CAD via HFNC/VMN led to a greater than fourfold increase in drug delivery compared to LVN with FM. Optimal aerosol delivery occurred at 3 L/minute with SML Adult HFNC.
An Improved Synthesis of the Insensitive Energetic Material 3‐Amino‐5‐Nitro‐1,2,4‐triazole (ANTA)
Authors: Manship Tim D. , Smith Dawson M. , Piercey Davin G. 
Published: July 2020

AbstractThis work shows the ability of a readily‐available oxidizer to achieve the selective oxidation of 3,5‐diamino‐1,2,4‐triazole (DAT) to 3‐amino‐5‐nitro‐1,2,4‐triazole (ANTA) in high yields. This strategy reduces the synthesis of this important energetic material and synthon down to a single step. Analysis was conducted on the product and confirmed that the product was indeed ANTA. The yield, safety, and economics of this process are all superior to the current state‐of‐the‐art two‐step multi‐pot procedure.
Comparative risk of cardiac arrhythmias associated with acetylcholinesterase inhibitors used in treatment of dementias – A narrative review
Authors: Huang Yichang , Alsabbagh Mhd. Wasem 
Published: July 2020

AbstractDonepezil, galantamine, and rivastigmine are the three acetylcholinesterase inhibitors (AChEIs), out of a total of only four medications prescribed in the treatment of Alzheimer's Disease (AD) and related dementias. These medications are known to be associated with bradycardia given their mechanism of action of increasing acetylcholine (ACh). However, in March 2015, donepezil was added to the CredibleMeds “known‐risk” category, a list where medications have a documented risk for acquired long‐QT syndrome (ALQTS) and torsades de pointes (TdP) – a malignant ventricular arrhythmia that is a different adverse event than bradycardia (and is not necessarily associated with ACh action). The purpose of this article is to review the three AChEIs, especially with regards to mechanistic differences that may explain why only donepezil poses this risk; several pharmacological mechanisms may explain why. However, from an empirical point‐of‐view, aside from some case‐reports, only a limited number of studies have generated relevant information regarding AChEIs' and electrocardiogram findings; none have specifically compared donepezil against galantamine or rivastigmine for malignant arrhythmias such as TdP. Currently, the choice of one of the three AChEIs for treatment of AD symptoms is primarily dependent upon clinician and patient preference. However, clinicians should be aware of the potential increased risk associated with donepezil. There is a need to examine the comparative risk of malignant arrhythmias among AChEIs users in real‐world practice; this may have important implications with regards to changes in AChEI prescribing patterns.
Shannon entropy as a predictor of avoided crossing in confined atoms
Authors: Saha Subhasish , Jose Jobin 
Published: July 2020

AbstractAvoided crossing is one of the unique spectroscopic features of a confined atomic system. Shannon information entropy of the ground state and some of the excited states of confined H atom as a predictor of avoided crossing is studied in this work. This is accomplished by varying the strength of the confinement and examining structure properties like ionization energy and Shannon information entropy. Along with the energy level repulsion at the avoided crossing, Shannon information entropy is also exchanged between the involved states. This work also addresses a question: In addition to that regarding localization, what other property of the system can be extracted from Shannon entropy? Insightful connection is discovered between Shannon entropy and the average value of confinement potential, Coulomb potential, and kinetic energy.
Human endothelial colony-forming cells in regenerative therapy: A systematic review of controlled preclinical animal studies
Authors: Liao Gary , Zheng Katina , Shorr Risa , Allan David S. 
Published: July 2020

Abstract
Endothelial colony-forming cells (ECFCs) hold significant promise as candidates for regenerative therapy of vascular injury. Existing studies remain largely preclinical and exhibit marked design heterogeneity. A systematic review of controlled preclinical trials of human ECFCs is needed to guide future study design and to accelerate clinical translation. A systematic search of Medline and EMBASE on 1 April 2019 returned 3131 unique entries of which 66 fulfilled the inclusion criteria. Most studies used ECFCs derived from umbilical cord or adult peripheral blood. Studies used genetically modified immunodeficient mice (n = 52) and/or rats (n = 16). ECFC phenotypes were inconsistently characterized. While &gt;90% of studies used CD31+ and CD45−, CD14− was demonstrated in 73% of studies, CD146+ in 42%, and CD10+ in 35%. Most disease models invoked ischemia. Peripheral vascular ischemia (n = 29), central nervous system ischemia (n = 14), connective tissue injury (n = 10), and cardiovascular ischemia and reperfusion injury (n = 7) were studied most commonly. Studies showed predominantly positive results; only 13 studies reported ≥1 outcome with null results, three reported only null results, and one reported harm. Quality assessment with SYRCLE revealed potential sources of bias in most studies. Preclinical ECFC studies are associated with benefit across several ischemic conditions in animal models, although combining results is limited by marked heterogeneity in study design. In particular, characterization of ECFCs varied and aspects of reporting introduced risk of bias in most studies. More studies with greater focus on standardized cell characterization and consistency of the disease model are needed.
Sulfamic Acid‐Catalyzed Thioacetalization of Aldehydes under Solvent and Metal‐Free Conditions
Authors: Leitemberger Andrielli , Böhs Lucas M. C. , Peixoto Maura L. B. , Rosa Clarissa H. , Rosa Gilber R. , Godoi Marcelo 
Published: July 2020

AbstractHerein, we have reported a straightforward methodology for the synthesis of dithioacetals through a metal‐free catalyzed reaction of aldehydes with thiols. In this regard, sulfamic acid proved to be a very efficient catalyst for the preparation of desired products under conventional heating as well as ultrasound irradiation. Generally, the desired products were obtained with reasonable yields through a thioacetalization process, under mild reaction conditions. Noteworthy, sulfamic acid could be recovered from the reaction by simple filtration and it was reused in further reactions and it showed good catalytic activity until the third cycle. In addition, a series of control experiments have also been performed and a plausible reaction mechanism has been illustrated.
Mechanistic Details and Conformational Behavior of Selective Peptide Linkage Facilitated by Aun Clusters
Authors: Yadav Sarita , Springborg Michael , Singhal Sonal , Molayem Mohammad , Goel Neetu 
Published: July 2020

AbstractThe interactions of amino acids Glycine and Alanine with gold clusters, Aun (n=3, 8, 16) have been studied in both gas and aqueous phase within the formalism of density functional theory (DFT). The amino acid binds to the cluster with its amine/carboxyl end securely anchored to the cluster. Selective peptide synthesis has been explored for Glycylglycine (GlyGly) and Glycylalanine (GlyAla) dipeptides in aqueous medium via two different reaction pathways. Path‐
Synthesis and Anticancer Research of N‐(2‐aminophenyl)benzamide Acridine Derivatives as Dual Topoisomerase I and Isoform‐Selective HDAC Inhibitors
Authors: Zhang Bin , Zhang Qiting , Liu Zedong , Wang Ning , Jin Haixiao , Liu Feng , Zhang Cunlong , He Shan 
Published: July 2020

AbstractTopoisomerase (Topo) and histone deacetylase (HDAC) are considered to be effective targets for the treatment of cancer. In this study, 16 new N‐(2‐aminophenyl)benzamide acridine analogues (8 a‐8 p) were designed and synthesized as Topo I and subtype‐selective HDAC inhibitors. Most of the compounds displayed good antiproliferative activity against CCRF‐CEM, K562 and U937 cells. Among them, 8 a demonstrated the highest anti‐proliferative activity (IC50=0.12‐0.35 μM). Further studies showed that 8 a and some analogues displayed Topo I inhibitory activity and exhibited selective inhibition for HDAC1 (class I HDAC). Additionally, 8 a can significantly induce DNA damage and histone H3 acetylation in these tested cancer cells. Moreover, 8 a triggered dose‐dependent G0/G1 cell cycle arrest and induced cellular apoptosis. This study provides new perspectives for the further structural optimization of N‐(2‐aminophenyl)benzamide acridine analogues for use in cancer research.
More Interaction Sites and Enhanced Fluorescence for Highly Sensitive Fluorescence Detection of Methamphetamine Vapor via Sidechain Terminal Functionalization of Conjugated Polymers
Authors: Yu Yaguo , Xu Wei , Wang Tan , Fu Yanyan , Cao Huimin , He Qingguo , Cheng Jiangong 
Published: July 2020

AbstractA strategy of sidechain terminal functionalization was proposed to further improve the sensitivity of MA vapor detection. In this work, three fluorescent conjugated polymers (CPs) were synthesized by introducing NHBoc group at the end of the side chains and characterized by GPC, 1H NMR, FT‐IR and 19F NMR. The test results show that the introduction of the NHBoc group reduces the effect of aggregation‐caused quenching (ACQ), thereby improving the fluorescence intensity and fluorescence quantum efficiency of CPs. Secondly, it increases the interaction sites for MA capture and expands the scope of the interaction, thereby increasing the contact probability and interaction between the CPs and MA. Thirdly, the morphology of the CPs has also changed, especially the polymer containing 5‐fluoro‐2,1,3‐benzothiadiazole (1F‐2NHBoc‐CP), whose film has a network‐crosslinked porous structure, which is conducive to the enrichment and penetration of N‐methylphenethylamine (MPEA, a simulant of MA) vapor at low concentration. All these effects contribute to efficient fluorescence quenching, so the 1F‐2NHBoc‐CP can achieve more than 74% fluorescence quenching within 30 s. Taking fluorescence quenching to 1% as the detection limit, MPEA vapor with an actual concentration of 41 ppt can be detected, and its sensitivity is increased by about 25 folds relative to the NHBoc‐free counterpart polymer. Furthermore, it showed a linear correlation with MPEA vapor in the range of 41 ppt to 16 ppm, which spanned five orders of magnitude. This strategy will find a great potential in developing highly sensitive fluorescent probe for dangerous chemical vapor detection.
A Vanillinyl‐Hydrazone Schiff Base: Recognition of Mg2+, Zn2+, Cd2+ and I− by Turn‐On Fluorescence Method
Authors: Dey Sunanda , Purkait Rakesh , Mallick Debashis , Sinha Chittaranjan 
Published: July 2020

AbstractVanillinyl‐hydrazone Schiff base, 2,6‐Bis‐[(2‐hydroxy‐3‐methoxy‐benzylidene)‐hydrazonomethyl]‐4‐methyl‐phenol (PHV) is characterized by spectroscopic techniques and serves as selective and sensitive fluorescence sensor at different emission wavelength for Zn2+ (λem, 546 nm), Cd2+ (λem, 567 nm) and Mg2+ (λem, 625 nm) in DMSO/H2O medium (9 : 1, v/v) in presence of large number of available cations. The probe also displays selective turn‐on fluorescence sensitivity to I− (λem, 635 nm) in THF medium. Density Functional Theory (DFT) computation techniques are used to explain some of the obtained experimental observation.
Connectalism: A new paradigm for human choice
Authors: Faugère Christophe 
Published: July 2020

AbstractThis is an introduction toConnectalism: A new paradigm for analysing human choice. Connectalism is rooted in systems thinking and humanistic psychology. It melds together ancient and modern wisdoms about humans' awareness of their interconnectedness within the networks they belong to (e.g., the biosphere). Basic motivation for the concept and postulates are introduced, with implications for the sustainability debate. The key analytical tool to operationalize the examination of decision frameworks is functional dependency network analysis.We then work through a simple application of this approach to the COVID‐19 pandemic.
Two‐Stage Enzymatic Hydrolysis for Fermentable Sugars Production from Damaged Wheat Grain Starch with Sequential Process Optimization and Reaction Kinetics
Authors: Sirohi Ranjna , Pandey Jai Prakash , Goel Reeta , Singh Anupama , Lohani Umesh C. , Kumar Anil 
Published: July 2020

AbstractDamaged wheat grains are usually discarded following which they decompose naturally to cause environmental pollution. The potential conversion of these starchy substrates to usable fermentable sugars is the subject of this study. Wheat grains in different quantities (10–20%, w/v) are liquefied using different concentrations of α‐amylase (1−5% v/v; 12−60 U mL−1) to generate hydrolysate. The process is optimized to obtain the maximum concentration of reducing sugars. The concentration of reducing sugars obtained after 60 min of liquefaction is quantified as 85.2 mg mL−1 using 5% v/v α‐amylase and 19.4% w/v substrate in the hydrolysis media. Reaction kinetics confirm that substrate concentrations higher than 10% w/v can enhance the production of fermentable sugars. The obtained hydrolysate is subjected to saccharification using glucoamylase (1−3% v/v; 46−138 U mL−1) for the conversion of remaining oligosaccharides and α‐limit dextrins to fermentable sugars. Optimum glucoamylase concentration of 2.4% v/v in the reaction media yields 147.5 mg mL−1 fermentable sugars in 103 min. Predictive second‐order models are established for the process with good accuracy. Subsequent experiments at optimum conditions are performed for model validation.