bluuebunny/crossref_metadata_2025_split huggingface dataset:
Emerging two‐dimensional bismuth oxychalcogenides for electronics and optoelectronics
Authors: Wang Fakun , Yang Sijie , Wu Jie , Hu Xiaozong , Li Yuan , Li Huiqiao , Liu Xitao , Luo Junhua , Zhai Tianyou 
Published: June 2021

AbstractAtomically thin two‐dimensional (2D) bismuth oxychalcogenides (Bi2O2X, X = S, Se, Te) have recently attracted extensive attention in the material research community due to their unique structure, outstanding long‐term ambient stability, and high carrier mobility, which enable them as promising candidates for high‐performance electronic and optoelectronic applications. Herein, we present a comprehensive review on the recent advances of 2D bismuth oxychalcogenides research. We start with an introduction of their fundamental properties including crystal structure and electronic band structure. Next, we summarize the common techniques for synthesizing these 2D structures with high crystallinity and large lateral size. Furthermore, we elaborate on their device applications including transistors, artificial synapses, optical switch and photodetectors. The last but not the least, we summarize the existing challenges and prospects for this emerging 2D bismuth oxychalcogenides field.image
Clinical application of a scale to assess genomic healthcare empowerment (GEmS): Process and illustrative case examples
Authors: McConkie‐Rosell Allyn , Schoch Kelly , Sullivan Jennifer , Spillmann Rebecca C. , Cope Heidi , Tan Queenie K.‐G. , Palmer Christina G. S. ,   Undiagnosed Disease Network, Hooper Stephen R. , Shashi Vandana 
Published: June 2021

AbstractThe Genome Empowerment Scale (GEmS), developed as a research tool, assesses perspectives of parents of children with undiagnosed disorders about to undergo exome or genome sequencing related to the process of empowerment. We defined genomic healthcare empowerment as follows: perceived ability to understand and seek new information related to the genomic sequencing, manage emotions related to the diagnostic process and outcomes, and utilize genomic sequencing information to the betterment of the individual/child and family. The GEmS consists of four scales, two are primarily emotion‐focused (Meaning of a Diagnosis, and Emotional Management of the Process) and two are action‐oriented (Seeking Information and Support, and Implications and Planning). The purpose of this research was to provide a strategy for interpreting results from the GEmS and present illustrative cases. These illustrations should serve to facilitate use of the GEmS in the clinical and research arena, particularly with respect to guiding genetic counseling processes for parents of children with undiagnosed conditions.
Anticancer activity of indapamide adsorbed on gold nanoparticles: DFT, in‐silico, and in‐vitro analysis
Authors: Shyni V. , Leenaraj D. R. , Ittyachan Reena , Joseph Lynnette , Sajan D. 
Published: June 2021

AbstractThe adsorption properties of the lung cancer agent indapamide (IND) on gold nanoparticles (AuNPs), were studied with the help of surface‐enhanced Raman scattering techniques. The structure‐activity of the IND and INDA molecule has been studied using DFT/B3LYP methodology. NBO analysis reveals that, both the molecules are stabilized by a C─H…O intramolecular hydrogen bonding, apart from the conjugative and intramolecular charge transfer interactions. The analysis of the electron density of frontier molecular orbital analysis gives a comparative idea of the reactivity, the low kinetic stability, and low value of energy gap indicating the electron transport in the molecule and thereby its bioactivity. The molecular electrostatic potential, local and global reactivity indicators predict the reactive site of the molecules. FT‐IR, FT‐Raman, and surface‐enhanced Raman scattering have been investigated and compared with the theoretical prediction. Effective in‐silico (molecular docking) biological activity screening of the molecules was checked on lung cancer cells. In‐vitro (surface‐enhanced Raman scattering techniques and MTT assay) analysis confirms the results from the in‐silico analysis. This study promotes the potential of SERS agents for targeted drug delivery and photothermal therapy and the novelty of the IND and INDA molecule against lung cancer activity.
Impact of a targeted volume‐increase nutrition guideline on growth and body mass index in premature infants: A retrospective review
Authors: Philip Stephanie S. , Davenport Sarah E. , Mannan Javed , White Heather O. , Lee Austin F. , Rhein Lawrence M. 
Published: June 2021

AbstractBackgroundThe negative impact of disproportionate growth in premature infants is well documented, but optimal nutrition practices needed to prevent an unhealthy body mass index (BMI) remain unclear.MethodsAn evidence‐based, volume‐increase guideline that advanced feeding volumes from 150–160 to 170–180 ml/kg/day between the postmenstrual age (PMA) of 31 0/7 and 34 0/7 weeks was implemented in October 2017 for infants born at ≤32 0/7 weeks’ gestational age. Data were collected on 262 infants’ weight and length at birth and at discharge for 20 months before and 21 months after guideline implementation, and retrospective analysis was conducted to determine disproportionate growth by comparing BMIs (in g/cm2) at birth and at discharge. Changes in infants’ body habitus were determined through bivariate analysis of weight and length z‐scores from the Fenton growth curve.ResultsImplementation of a targeted volume nutrition guideline resulted in fewer infants with growth failure, defined as weight <10th percentile (19.5% vs 11.2%; P = .06) at discharge. Infants who received treatment according to the targeted nutrition guideline had a statistically significant reduction in disproportionately low BMI (8.6% vs 2.5%; P = .0380) and an increase in disproportionately high BMIs (4.3% vs 12.3%; P = .025). There was minor change in the percentage of disproportionately large infants who received the guidelines from birth to discharge (11.5% vs 12.3%).ConclusionsA targeted volume‐increase nutrition guideline may prevent growth failure, with some effects on disproportionate growth in preterm infants born at ≤32 0/7 weeks’ gestational age.
Schrödinger equation based analytic assessment of thermal properties of confined electrons under vector and scalar fields
Authors: Eshghi Mahdi , Ahmadi Azar Ismaeil , Soudi Sasan 
Published: June 2021

In this research, we have extracted the covariant form of the Schrödinger equation in the Riemannian manifold = ℝ3with a position‐dependent mass (PDM) distribution in the presence of magnetic fields for each point Then, we have solved the extracted nonrelativistic equation for a charged particle with a PDM in quantum system under the magnetic and Aharonov–Bohm (AB) flux fields and Yukawa‐like potential using the Frobenius series method. It is interesting that the obtained analytical solutions of the nonrelativistic equation have been expressed in terms of the biconfluent Heun function (BHF). Then, we have expanded the BHF as the power series and obtained a three‐term recurrence relation between the successive coefficients of the power expansion. To investigate the nontrivial solution of the power expansion, we need to apply an explicit continued fraction equation for the coefficients of the recurrence relation. This relation must be satisfied in order to assure the series convergence. At the continuation, we have found two different conditions using the submitted lemmas. Then, using the obtained conditions, we have calculated the eigenvalues and eigenfunctions of the particle in the arbitrary point of the manifold. Finally, the canonical formalism is applied to compute different thermodynamic variables for the case of the higher temperatures. Also, we have discussed the special states on the obtained results.
Diffeomorphic respiratory motion estimation of thoracoabdominal organs for image‐guided interventions
Authors: Lei Long , Huang Li , Zhao Baoliang , Hu Ying , Jiang Zhongliang , Zhang Jianwei , Li Bing 
Published: June 2021

PurposePercutaneous image‐guided interventions are commonly used for the diagnosis and treatment of cancer. In practice, physiological breathing‐induced motion increases the difficulty of accurately inserting needles into tumors without impairing the surrounding vital structures. In this work, we propose a data‐driven patient‐specific hierarchical respiratory motion estimation framework to accurately estimate the position of a tumor and surrounding vital tissues in real time.MethodsThe motion of optical markers attached to the chest or abdomen skin is used as a surrogate signal to estimate tumor motion based on ɛ‐support vector regression (ɛ‐SVR). With the estimated tumor motion as the input, a novel respiratory motion model is developed to estimate the diffeomorphic deformation field of the whole organ (liver or lung) without intraoperative, iterative optimization computations. The respiratory motion model of the whole organ is established in Lie algebra space based on the kriging algorithm to ensure that the estimated deformation field is diffeomorphic, optimal, and unbiased. Preoperative prior knowledge for modeling the motion of whole organs is obtained by deformation registration between four‐dimensional computed tomography (4D CT) images using a hybrid diffeomorphic registration method.Results and ConclusionsExperimental results on anin vivobeagle dog show that the minimum value of the determinant of the Jacobian of the estimated deformation field is greater than zero, so the estimated deformation field of the whole liver with our method is diffeomorphic. The mean position error of the tumor is 1.2 mm corresponding to a mean accuracy improvement of 76.5%, and the mean position error of the whole liver is 2.1 mm, corresponding to a mean accuracy improvement of 37.9%. The experimental results based on public human subject data show that the mean position error of the tumor is 1.1 mm, corresponding to a mean accuracy improvement of 83.1%, and the mean position error of the whole lung is 2.1 mm, corresponding to a mean accuracy improvement of 41.4%. The positioning errors for the tumor and whole organ are hierarchical and consistent with clinical demand.
PVP‐coated PVC with triazoles for reduced cell adhesion and bacterial growth
Authors: Almousa Rashed , Wen Xin , Anderson Gregory , Xie Dong 
Published: June 2021

AbstractThe objective of this study was to synthesize and coat a biocompatible polyvinylpyrrolidone polymer with pendent functional groups capable of forming triazole functionality onto surface of polyvinylchloride (PVC) and evaluate the modified surface. The coated surfaces were assessed with cell adhesion, bacterial adhesion and bacterial viability. Mouse fibroblast (NIH‐3 T3) cells and three bacteria species were used to assess surface adhesion and antibacterial activity. Results showed that the coated surface not only exhibited significantly reduced cell adhesion with a 65–85% decrease to 3 T3 fibroblast but also showed significantly reduced bacterial attachment with 52–76%, 45–66%, and 45–69% decrease to Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa, respectively, as compared to original PVC. Furthermore, the polymer‐coated PVC surface exhibited a significant antibacterial function by inhibiting bacterial growth with reduction of 77–90%, 55–87%, and 55–92% to S. aureus, E. coli, and P. aeruginosa, respectively, as compared to original PVC. These results indicate that covalent polymer attachment enhanced antibacterial and antifouling properties to the PVC surface.
Front Cover Image, Volume 77, Issue 7
Authors: Chong Pablo , Essoh Josué Ngando , Arango Isaza Rafael E , Keizer Paul , Stergiopoulos Ioannis , Seidl Michael F , Guzman Mauricio , Sandoval Jorge , Verweij Paul E , Scalliet Gabriel , Sierotzski Helge , de Lapeyre de Bellaire Luc , Crous Pedro W , Carlier Jean , Cros Sandrine , Meijer Harold J G , Peralta Esther Lilia , Kema Gert H J 
Published: June 2021

The front cover image is based on the Research Article A world‐wide analysis of reduced sensitivity to DMI fungicides in the banana pathogen Pseudocercospora fijiensis by Pablo Chong et al., https://doi.org/10.1002/ps.6372.
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Back Cover Image, Volume 77, Issue 7
Authors: Wang Wei , Cheng Xiang , Cui Xue , Xia Dongguo , Wang Ziqing , Lv Xianhai 
Published: June 2021

The back cover image is based on the Research Article Synthesis and biological activity of novel Pyrazolo[3,4‐d]pyrimidin‐4‐one derivatives as potent antifungal agent by Wei Wang et al., https://doi.org/10.1002/ps.6406.
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Robust monotonic convergent iterative learning control design: An LMI‐based method
Authors: Su Lanlan 
Published: June 2021

AbstractThis work investigates robust monotonic convergent iterative learning control (ILC) for uncertain linear systems in both time and frequency domains, and the ILC algorithm optimizing the convergence speed in terms ofl2norm of error signals is derived. First, it is shown that the robust monotonic convergence of the ILC system can be established equivalently by the positive definiteness of a matrix polynomial over some set. Then, a necessary and sufficient condition in the form of sum of squares for the positive definiteness is proposed, which is amendable to the feasibility of linear matrix inequalities. Based on such a condition, the optimal ILC algorithm that maximizes the convergence speed is obtained by solving a set of convex optimization problems. Moreover, the order of the learning function can be chosen arbitrarily so that the designers have the flexibility to decide the complexity of the learning algorithm.
Catalyst‐Free One‐Pot Multi‐Component Synthesis of 2‐Substituted Quinazolin‐4‐carboxamides from 2‐Aminophenyl‐2‐oxoacetamides, Aldehydes, and Ammonium Acetate
Authors: Shim Seung‐Hwan , Park Hyejun , Mishra Neeraj Kumar , Kim In Su , Lee Jae Kyun , Lee Kiho , Jalani Hitesh B. , Choi Yongseok 
Published: June 2021

AbstractHerein, we report a simple and straightforward catalyst‐free one‐pot multi‐component synthesis of quinazolin‐4‐carboxamides using 2‐(2‐aminophenyl)‐N,N‐dialkyl‐2‐oxoacetamide, aldehydes and ammonium acetate. As compared to the conventional approached for quinazolin‐4‐carboxamides synthesis, this transformation demonstrates very good reactivity by tolerating a large number of functional groups, and proceeds with good to moderate yields under mild conditions. Notably, the synthesized 6‐bromoquinazolin‐4‐carboxamide was subjected to Suzuki‐Miyaura cross‐coupling and Buchwald‐Hartwig C−N bond forming reactions providing a straightforward method to obtain structurally diverse and valuable quinazoline scaffolds. Furthermore, the reaction could be easily scaled up to gram scale.
ZIF‐8 Decorated WO3Nanoplates with Robust Surface Activation for the Enhanced Performances in Photocatalytic N2Fixation
Authors: Xu Fang , Pan Jialiang , Li Bian , Wu Dapeng , Wang Xinjun , Jiang Yuqin , Li Wei , Jiang Kai , Niu Bingxuan 
Published: June 2021

AbstractIn order to achieve the activation of the inert N≡N triple bonds during the photo‐derived N2fixation, WO3/ZIF‐8 heterogeneous materials with controlled ZIF‐8 coating layer on WO3nanoplates were prepared via a facile wet process. The WO3/ZIF‐8 heterogeneous materials were adopted as photocatalysts in the conversion from N2to nitrate under visible light irradiation. The results demonstrated that WO3/ZIF‐8 heterogeneous materials has NO3−yield of ∼5.4 mg/g, which is ∼5 times higher than that of WO3nanoplates (∼1.1 mg/g). The improved photocatalytic performance of WO3/ZIF‐8 heterogeneous materials was attributed to the enhanced physical and chemical adsorption of N2molecules resulting from the porous structure of ZIF‐8. In addition, WO3/ZIF‐8 heterogeneous materials exhibited enhanced separation and transfer of photogenerated electron‐hole pairs due to the optimized interface between WO3and ZIF‐8, which finally contributed to the high performances in the photocatalytic N2fixation.
A Comparative Study on Interactions of Ternary Copper(II) Complexes and Their Analogues Anchored Polymer (BPEI) with Serum Albumins
Authors: Sugumar Kannan , Vignesh Gopalsamy , Arunachalam (Retired) Sankaralingam 
Published: June 2021

AbstractIn the present investigation, a series of ternary copper(II) complexes anchored branched polyethyleneimine (BPEI), [Cu(phen)(L‐AA)]NO3‐a‐BPEI with three different degree of anchoring were synthesized by ligand substitution method and characterized (where, Phen‐1,10 Phenanthroline, AA: ala‐Alanine (1), gln‐Glutamine (2), ile‐Isoleucine (3), leu‐Leucine (4) and pro‐Proline (5). Interactions studies of copper(II) complexes anchored BPEI (1‐5) and their precursor analogues with serum albumins have been investigated by different spectroscopy techniques. The calculated binding constant values indicate that the binding affinities among the copper(II) complexes anchored BPEI are in the order of complex 3>4>5>1>2. Besides, the binding affinities of copper(II) complexes anchored BPEI increased with the increasing degree of anchoring of copper(II) complex units in the BPEI polymer chain. The thermodynamic studies confirm that the ordinary copper(II) complexes underwent hydrophobic mode of interactions with serum albumins whereas the copper(II) complexes anchored BPEI (1‐5) undergo electrostatic interactions predominantly along with some hydrophobic force. Finally, the circular dichroism spectral studies confirmed that the copper(II) complexes anchored BPEI (1‐5) can bound with the amino acid residues of the main polypeptide chain of the BSA/HSA and destroyed their hydrogen‐bonding networks, resulting in some unfolding of the polypeptides of serum albumins.
Synthesis of New Lansiumamide A/Alatamide (cis‐Isomer) Based Unnatural α‐Amino Acid Derivatives via the Suzuki‐Miyaura Cross Coupling as Key Step
Authors: Sambaiah M. , Thota PradeepKumar , Kottawar Shrinivas S. , Yennam Satyanarayana , Shiva Kumar K. , Behera Manoranjan 
Published: June 2021

AbstractWe have developed a new synthetic method for the preparation of Lansiumamide‐amino acid (1) as well as Alatamide (cis‐isomer)‐amino acid (2) hybrids. The key step involves the Suzuki coupling reaction of N‐((Z)‐2‐bromovinyl) cinnamamide with phenylboronic acid and (Z)‐N‐(2‐iodovinyl)benzamide with 4‐methoxy phenylboronic acid. The Suzuki coupling of N‐((E)‐2‐bromo‐2‐phenylvinyl) cinnamamide as well as (E)‐N‐(2‐Iodo‐2‐(4‐methoxyphenyl)vinyl)benzamide with 4‐borono‐pinacol ester of phenylalanine to give the Lansiumamide‐phenylalanine and Alatamide (cis‐isomer)‐phenylalanine amino acid hybrids in good yields. This is the first synthesis of C‐linked Lansiumamide A and Alatamide (cis‐isomer)‐amino acid conjugates where both the natural products are linked to amino acid through C−C bond.
Hollow PtCo Nanowires with Rough Surfaces as Highly Active Electrocatalysts for Oxygen Reduction Reaction
Authors: Wang Jincheng , Li Chuang , Zhu Wenjun , Meng Jipeng , Liang Changhai 
Published: June 2021

AbstractPlatinum‐based nanowires/nanotubes electrocatalysts have a wide application for oxygen reduction reaction (ORR) in the fuel cells due to their remarkable electron transport capacity, ultra‐high Pt utilization and stable one‐dimensional structure, but their practical application is limited by catalytic activity and durability. In this paper, a one‐pot two‐step method for the synthesis of hollow PtCo nanowires (H‐PtCo NWs) was reported. The Co nanowires with roughish surfaces synthesized by solvothermal method were used as sacrifice templates to form an intermediate of the Co@Pt NWs through incomplete galvanic replacement steps, and then the H‐PtCo NWs were synthesized by subsequent etching process. XRD and TEM confirmed the presence of Pt and Co in H‐PtCo NWs and the highly open one‐dimensional structure. The ORR test showed the high ORR activity of H‐PtCo NWs catalyst against the Co@Pt NWs and the Pt/C. The ORR durability of the H‐PtCo NWs was demonstrated from the high retention of the ORR activity after ADTs. Therefore, the combination of one‐dimensional characteristics, the alloying of Co element, the high exponent crystal plane and highly open struct of the H‐PtCo NWs/C catalyst contributed to the remarkable ORR activity.
Preparation of Spherical Cellulose Nanoparticles from Recycled Waste Cotton for Anticancer Drug Delivery
Authors: Gülsu Aydan , Yüksektepe Ecem 
Published: June 2021

AbstractUsing natural waste resources as a starting material for the preparation of cellulose nanoparticles is a field of interest for novel pharmaceutical applications. This study aims to introduce cellulose nanoparticles for Doxorubicin (DOX) delivery to tumor cells. Cellulose nanocrystals were first produced from waste cotton by hydrochloric acid (1 M) hydrolysis, and then spherical cellulose nanoparticles were prepared by microemulsion method. The prepared particles were spherical with 300 nm in size, and the zeta potential was −12.5 mV. The drug entrapment efficiency was ∼99 % (w/w). DOX loaded particles exhibited a biphasic release pattern at pH 7.4 phosphate buffer without initial burst effect. Release experiments demonstrated that DOX release was up to 34 days (97 %). In vitro cytotoxicity assay on human A549 (human lung adenocarcinoma) cell line was performed by MTT assay. The results show that prepared particles are effective on cancer cells. It is important in terms of economic and environmental problems that the material prepared for use in cancer drug release presented here is obtained from the waste cotton.
Do liberal arts colleges maximize profit?
Authors: Gansemer‐Topf Ann M. , Orazem Peter F. , Wohlgemuth Darin R. 
Published: June 2021

AbstractRevenue, cost, tuition, and scholarship data at private liberal arts colleges from 2003–2013 are used to estimate how each college's net revenue per student varies with student enrollment. Our empirical specification assumes that colleges simultaneously pick their optimal net tuition and cost of instruction. The estimates allow us to identify the enrollment level that maximizes the return on the college's provision of educational services. Thirty‐seven percent of the colleges have enrollments within one standard deviation of their profit maximizing enrollment. Another 11% are more than one standard deviation above the profit maximizing level; they increase access to students but not revenue. Compared to the profit maximizing colleges, the institutions with enrollments beyond their profit maximum have stronger endowments and enroll more low‐income students. Although no schools were below their shut‐down enrollment, 13% were within one standard deviation of their minimum enrollment and may be vulnerable to tuition revenue shock.
Reformulation of the performance portability metric
Authors: Marowka Ami 
Published: June 2021

SummaryThe 3‐P challenge of high‐performance programming—performance, portability and productivity—has become more difficult than ever in the age of heterogeneous computing. It would be naïve to think that the performance portability problem can be completely solved, but it can certainly be reduced and made tolerable. However, first and foremost, an agreement is needed on what it means for an application to be performance portable. Unfortunately, there is still no consensus in the scientific community on a workable definition of the term performance portability. Several years ago, a comprehensive effort was made to formulate a novel definition of performance portability and an associated metric. Since the new metric was first introduced, it has been widely adopted by the scientific community, and many advanced studies have used it. Unfortunately, the definition of the new metric has flaws. This article presents a proof of the theoretical flaws in the definition of the new metric, considers the practical implications of these flaws as reflected in many studies that have used it in recent years, and proposes a revised metric that addresses the flaws and provides guidelines on how to use it correctly.