bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the Molecular Mechanism of a Photo‐Responsive Phase Change Memory
Authors: Amirjalayer Saeed 
Published: April 2021

AbstractInducing well‐defined transitions by external stimuli between different states of matter is at the core of responsive functional materials. Using light to interconvert between states with distinct and externally readable features such as optical properties, these photo‐responsive phase change materials (PCMs) are ideal candidates for photonic applications. In this context, correlating macroscopic phenomena with properties at the atomistic level is crucial to systematically tailor the performance of PCMs. In particular, to establish a bottom‐up strategy to engineer PCMs based on molecular building units, a detailed understanding of the dynamic properties is needed. Therefore, an atomistic study is reported capturing the structural evolution during the light‐induced phase transition of a tetra‐(azobenzene)‐methane based PCM. This out‐of‐equilibrium dynamics is accurately represented by an atomistic potential, developed using a population swapping genetic algorithm. The molecular mechanism of the phase transition is deciphered and the refractive index of the periodic matrix is investigated. Due to an interplay of structural rigidity and flexibility, already small structural rearrangements lead to alteration of the optical properties, which is fundamental to ensure high data‐transfer rates. By correlating molecular properties with the resulting functionality, the reported work provides an important step towards in silico engineering of photo‐responsive PCMs.
Terahertz Driven Reversible Topological Phase Transition of Monolayer Transition Metal Dichalcogenides
Authors: Zhou Jian , Xu Haowei , Shi Yongliang , Li Ju 
Published: April 2021

AbstractThis paper shows how terahertz light can drive ultrafast topological phase transitions in monolayer transition metal dichalcogenides (TMDs). The phase transition is induced by the light interaction with both electron and phonon subsystems in the material. The mechanism of such a phase transition is formulated by thermodynamics theory: the Gibbs free energy landscape can be effectively modulated under light, and the relative stability between different (meta‐)stable phases can be switched. This mechanism is applied to TMDs and reversible phase transitions between the topologically trivial 2H and nontrivial 1T′ phases are predicted, providing appropriate light frequency, polarization, and intensity are applied. The large energy barrier on the martensitic transformation path can be significantly reduced, yielding a small energy barrier phase transition with fast kinetics. Compared with other phase transition schemes, light illumination has great advantages, such as its non‐contact nature and easy tunability. The reversible topological phase transition can be applicable in high‐resolution fast data storage and in‐memory computing devices.
Myocardial Viability Imaging using Manganese‐Enhanced MRI in the First Hours after Myocardial Infarction
Authors: Jasmin Nur Hayati , Thin May Zaw , Johnson Robert D. , Jackson Laurence H. , Roberts Thomas A. , David Anna L. , Lythgoe Mark F. , Yang Philip C. , Davidson Sean M. , Camelliti Patrizia , Stuckey Daniel J. 
Published: April 2021

AbstractEarly measurements of tissue viability after myocardial infarction (MI) are essential for accurate diagnosis and treatment planning but are challenging to obtain. Here, manganese, a calcium analogue and clinically approved magnetic resonance imaging (MRI) contrast agent, is used as an imaging biomarker of myocardial viability in the first hours after experimental MI. Safe Mn2+ dosing is confirmed by measuring in vitro beating rates, calcium transients, and action potentials in cardiomyocytes, and in vivo heart rates and cardiac contractility in mice. Quantitative T1 mapping‐manganese‐enhanced MRI (MEMRI) reveals elevated and increasing Mn2+ uptake in viable myocardium remote from the infarct, suggesting MEMRI offers a quantitative biomarker of cardiac inotropy. MEMRI evaluation of infarct size at 1 h, 1 and 14 days after MI quantifies myocardial viability earlier than the current gold‐standard technique, late‐gadolinium‐enhanced MRI. These data, coupled with the re‐emergence of clinical Mn2+‐based contrast agents open the possibility of using MEMRI for direct evaluation of myocardial viability early after ischemic onset in patients.
A Poly‐Crystalline Silicon Nanowire Transistor with Independently Controlled Double‐Gate for Physically Unclonable Function by Multi‐States and Self‐Destruction
Authors: Yu Ji‐Man , Yun Gyeong‐Jun , Kim Moon‐Seok , Han Joon‐Kyu , Kim Da‐Jin , Choi Yang‐Kyu 
Published: April 2021

AbstractWith the advance of internet of things, numerous electronic devices are being connected to each other through the internet. As the number of connections has increased, security has become increasingly important. Physically unclonable function (PUF) is one of the essential approaches that can be used to secure data in device. In this work, an independently controlled double‐gate (ICDG) transistor composed of a poly‐crystalline silicon (poly‐Si) nanowire channel for PUF is first demonstrated. Simply fabricated using CMOS processes, the so‐called PUF transistor harnesses multi‐states and self‐destruction for advanced security. The randomness in the poly‐Si nanowire channel is established by the randomly distributed poly‐Si grains. This random distribution means each transistor has a different threshold voltage (Vth). Moreover, multi‐states composed of a primary bit and a secondary bit, can be distinguished by gate‐biasing. The primary bit is identified by applying the same gate voltage to an electrically tied double‐gate. The secondary bit is discerned by applying a different gate voltage to the ICDG. Security key capacity is doubled using the multi‐states, without increasing footprint. Based on reinforced randomness, the PUF transistor exhibits enhanced uniqueness and unpredictability. In addition, this PUF transistor is untraceable by electrical self‐destructibility when external hacking is attempted.
Rapid enthalpy prediction of transition states using molecular graph convolutional network
Authors: Gong Siyuan , Wang Yutong , Tian Yajie , Wang Li , Liu Guozhu 
Published: April 2021

AbstractThe rapid development of machine learning has provided low‐cost and high‐throughput molecular energy prediction methods; however, the direct energy prediction of transition states (TSs) in radical reactions has received little attention, which can facilitate the rapid construction of potential energy surface (PES) and chemical reactivity inference. Here, we present a generic descriptor of TSs, molecules and radicals to realize the simultaneous prediction of their enthalpy of formation through the augmented molecular graph convolutional network (MGCN). It is proved that the network can rapidly (within milliseconds per prediction) and accurately predict the enthalpy of various types of samples, of which the mean absolute error (MAE) of the held‐out test set is 1.44 kcal/mol (>50% samples less than 1.0 kcal/mol) with high R2 (0.925–0.998) among all categories. The PES constructed from predictions is close to the calculated results by density functional theory (DFT) and conforms to the trend of chemical reactivity.
Participatory Research Approaches with Youth: Ethics, Engagement, and Meaningful Action
Authors: Teixeira Samantha , Augsberger Astraea , Richards‐Schuster Katie , Sprague Martinez Linda 
Published: April 2021

AbstractIn this manuscript, we explore the promise and challenges of youth participatory action research (YPAR), paying particular attention to ethical issues and power dynamics that emerge in the context of research partnerships between youth and adults. We begin by reviewing the key tenets of YPAR and then go on to discuss how these tenets are often at odds with dominant approaches to research. We describe the tension between the values of YPAR and the systems and structures embedded in the academy. Further, we elucidate how adultism and the capitalist nature of the academy intersect with white supremacy culture, posing significant barriers to meaningful youth participation in community research partnerships. We then describe ways in which participatory scholars can disrupt these systems as well as larger paradigm shifts in the culture of academia that will be required to elevate youth voices and to amplify their efforts for equity.
Systematic Review of Cultural Aspects of Stigma and Mental Illness among Racial and Ethnic Minority Groups in the United States: Implications for Interventions
Authors: Misra Supriya , Jackson Valerie W. , Chong Jeanette , Choe Karen , Tay Charisse , Wong Jazmine , Yang Lawrence H. 
Published: April 2021

AbstractStigma is integral to understanding mental health disparities among racial and ethnic minority groups in the United States. We conducted a systematic review to identify empirical studies on cultural aspects of mental illness stigma (public, structural, affiliative, self) among three racial and ethnic minority groups (Asian Americans, Black Americans, Latinx Americans) from 1990 to 2019, yielding 97 articles. In comparison studies (N = 25), racial and ethnic minority groups often expressed greater public and/or self‐stigma than White American groups. In within‐group studies (N = 65; Asian American, n = 21; Black American, n = 18; Latinx American; n = 26), which were primarily qualitative (73%), four major cultural themes emerged: 1) service barriers including access and quality (structural stigma); 2) family experiences including concealment for family’s sake, fear of being a burden, and stigma extending to family (affiliative stigma); 3) lack of knowledge about mental illness and specific cultural beliefs (public stigma); and 4) negative emotional responses and coping (self‐stigma). These findings confirmed stigma has both similar and unique cultural aspects across groups. Despite this, few studies tested stigma reduction interventions (N = 7). These cultural insights can inform contextual change at the health systems and community levels to reduce stigma, and empowerment at the interpersonal and individual levels to resist stigma.
Smith–Magenis syndrome: Report of morphological and new functional cardiac findings with review of the literature
Authors: Onesimo Roberta , Versacci Paolo , Delogu Angelica Bibiana , De Rosa Gabriella , Pugnaloni Flaminia , Blandino Rita , Leoni Chiara , Calcagni Giulio , Digilio Maria C. , Zollino Marcella , Marino Bruno , Zampino Giuseppe 
Published: April 2021

AbstractSmith–Magenis syndrome (SMS) is a genetic disorder characterized by multiple congenital anomalies, sleep disturbance, behavioral impairment, and intellectual disability. Its genetic cause has been defined as an alteration in the Retinoic Acid‐Induced 1 gene. Cardiac anomalies have been reported since the first description of this condition in patients with 17p11.2 deletion. Variable cardiac defects, including ventricular septal defects, atrial septal defects, tricuspid stenosis, mitral stenosis, tricuspid and mitral regurgitation, aortic stenosis, pulmonary stenosis, mitral valve prolapse, tetralogy of Fallot, and total anomalous pulmonary venous connection, have been anecdotally reported and systematic case series are still lacking. Herein, we define the spectrum of the cardiac phenotype and describe for the first time the cardiac function in a large cohort of pediatric patients with SMS. Revision of the literature and correlations between genotype and cardiac phenotype was performed.
Novel strategies for the characterization of cancellous bone morphology: Virtual isolation and analysis
Authors: Veneziano Alessio , Cazenave Marine , Alfieri Fabio , Panetta Daniele , Marchi Damiano 
Published: April 2021

AbstractObjectivesThe advent of micro‐computed tomography (μCT) made cancellous bone more accessible than ever before. Nevertheless, the characterization of cancellous bone is made difficult by its inherent complexity and the difficulties in defining homology across datasets. Here we propose novel virtual methodological approaches to overcome those issues and complement existing methods.Materials and methodsWe present a protocol for the isolation of the whole cancellous region within a μCT scanned bone. This method overcomes the subsampling issues and allows studying cancellous bone as a single unit. We test the protocol on a set of primate bones. In addition, we describe a set of morphological indices calculated on the topological skeleton of the cancellous bone: node density, node connectivity, trabecular angle, trabecular tortuosity, and fractal dimension. The usage of the indices is shown on a small comparative sample of primate femoral heads.ResultsThe isolation protocol proves reliable in isolating cancellous structures from several different bones, regardless of their shape. The indices seem to detect some functional differences, although further testing on comparative samples is needed to clarify their potential for the study of cancellous architecture.ConclusionsThe approaches presented overcome some of the difficulties of trabecular bone studies. The methods presented here represent an alternative or supporting method to the existing tools available to address the biomechanics of cancellous bone.
Unravelling the Neural Basis of Spatial Delusions After Stroke
Authors: Alves Pedro N. , Fonseca Ana C. , Silva Daniela P. , Andrade Matilde R. , Pinho‐e‐Melo Teresa , Thiebaut de Schotten Michel , Martins Isabel P. 
Published: April 2021

ObjectiveKnowing explicitly where we are is an interpretation of our spatial representations. Reduplicative paramnesia is a disrupting syndrome in which patients present a firm belief of spatial mislocation. Here, we studied the largest sample of patients with delusional misidentifications of space (ie, reduplicative paramnesia) after stroke to shed light on their neurobiology.MethodsIn a prospective, cumulative, case‐control study, we screened 400 patients with acute right‐hemispheric stroke. We included 64 cases and 233 controls. First, lesions were delimited and normalized. Then, we computed structural and functional disconnection maps using methods of lesion‐track and network‐mapping. The maps were compared, controlling for confounders. Second, we built a multivariate logistic model, including clinical, behavioral, and neuroimaging data. Finally, we performed a nested cross‐validation of the model with a support‐vector machine analysis.ResultsThe most frequent misidentification subtype was confabulatory mislocation (56%), followed by place reduplication (19%), and chimeric assimilation (13%). Our results indicate that structural disconnection is the strongest predictor of the syndrome and included 2 distinct streams, connecting right fronto‐thalamic and right occipitotemporal structures. In the multivariate model, the independent predictors of reduplicative paramnesia were the structural disconnection map, lesion sparing of right dorsal fronto‐parietal regions, age, and anosognosia. Good discrimination accuracy was demonstrated (area under the curve = 0.80 [0.75–0.85]).InterpretationOur results localize the anatomic circuits that may have a role in the abnormal spatial‐emotional binding and in the defective updating of spatial representations underlying reduplicative paramnesia. This novel data may contribute to better understand the pathophysiology of delusional syndromes after stroke. ANN NEUROL 2021;89:1181–1194
Sampling and Analysis in Flow: The Keys to Smarter, More Controllable, and Sustainable Fine‐Chemical Manufacturing
Authors: Morin Mathieu A. , Zhang Wenyao (Peter) , Mallik Debasis , Organ Michael G. 
Published: April 2021

AbstractProcess analytical technology (PAT) is a system designed to help chemists better understand and control manufacturing processes. PAT systems operate through the combination of analytical devices, reactor control elements, and mathematical models to ensure the quality of the final product through a quality by design (QbD) approach. The expansion of continuous manufacturing in the pharmaceutical and fine‐chemical industry requires the development of PAT tools suitable for continuous operation in the environment of flow reactors. This requires innovative approaches to sampling and analysis from flowing media to maintain the integrity of the reactor content and the analyte of interest. The following Review discusses examples of PAT tools implemented in flow chemistry for the preparation of small organic molecules, and applications of self‐optimization tools.
Excellent electromagnetic interference shielding and mechanical properties accomplished in a manganese dioxide decorated graphene/polymer composite
Authors: Pradhan Sudip , Goswami Debottam , Ghorai Sanjoy Kumar , Ratna Debdatta , Chattopadhyay Santanu 
Published: April 2021

AbstractIn this work, we have incorporated pristine graphene and graphene sheets decorated with α and δ forms of manganese dioxide in a hydrogenated nitrile butadiene rubber matrix to obtain high‐performance composites. The dual mixing technique was adopted to fabricate the composites having enhanced tensile, dielectric, and electromagnetic interference (EMI) shielding properties. The pristine graphene was introduced at various loadings, however, the α and δ manganese dioxide doped graphene was integrated at a single 8 phr concentration onto the rubber matrix. At an optimized concentration of 8 phr graphene in the matrix, a 101% increase in the tensile strength was observed compared to the unfilled rubber. An excellent improvement in the dielectric properties and a high EMI shielding value of 24.5 dB was observed for the15 phr loaded composite having a thickness of 2 mm. The composites should principally find applications as a robust and lightweight EMI shielding material.
Cloning, expression, purification, and biochemical characterization of CpxR protein from pectobacterium carotovorum
Authors: He Xiaoliang , Zhang Jing , Wang Shuai , Yang Zi , Zhang Huan , Zhou Xiaohui 
Published: April 2021

AbstractThe cpxR gene, encoding a new cytoplasmic response regulator, which effects virulence, biofilm formation, chemotaxis, resistance to antimicrobials, and controls soft rot, was amplified by the polymerase chain reaction, cloned into the prokaryotic expression vector pET‐15b, and expressed through the induction of isopropyl‐β‐d‐thiogalactoside in Escherichia coli BL21 (DE3). Then, highly purified and stable CpxR protein was produced by nickel affinity chromatography and fast protein liquid chromatography, digested by thrombin and identified by Western blotting. Furthermore, the structure of the CpxR protein was estimated by circular dichroism spectroscopy and SWISS‐MODEL. The CpxR protein was a functional part in signal transduction and bacterial resistance for Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis. The resear ch of the protein stability indicated the CpxR protein had excellent thermal stability and was suitable for crystallization. Then the small crystals of CpxR protein were found in the crystallizing tank. The latest 34 cpxR sequences from the public database were selected and analyzed by molecular clustering and multisequence alignment. These cpxR sequences were roughly divided into four categories. These results laid an important foundation for the further structural study of the CpxR protein.
A novel approach to residence time distribution characterization in a mAb continuous process
Authors: Brantley Tim , Bogue Jon , Denny Kurtis , Elouafiq Sanaa , Madren Seth , Nakhle Bassam , Khattak Sarwat 
Published: April 2021

AbstractResidence time distribution modeling of integrated perfusion to capture process can elucidate the impact of product quality excursions and filter fouling on monoclonal antibody production. In this case study, a glycosylation inhibitor and fluorescently labeled antibody are applied to the continuous process to study protein quality modulation, perfusion filter fouling, and unit operation hold times. The unit operations were modeled as continuous‐stirred tank reactors and the residence time distribution of a small molecule glycan inhibitor and impact on glycosylation were characterized. A fluorescently labeled antibody was applied as a tracer molecule and confirmed the impact of packed cell volume and filter fouling. This study demonstrates how a biologics continuous process can be modeled and characterized through residence time distribution to ensure a robust, well‐understood process.
The effects of flux on the clearance of minute virus of mice during constant flux virus filtration
Authors: Fan Rong , Namila Fnu , Sansongko Davar , Wickramasinghe S. Ranil , Jin Mi , Kanani Dharmesh , Qian Xianghong 
Published: April 2021

AbstractConstant flux virus filtration experiments were conducted to evaluate minute virus of mice retention behavior of four commercial virus filters for continuous bioprocessing applications. Fluxes chosen were guided by the Peclet number and the processing logistics as well as based on the filter characteristics. At the low flux condition of 5 (LMH) when diffusive force dominates, a significant breakthrough was observed for all the filtrate fractions for the filtration of a low fouling monoclonal antibody for three of the four filters. When both diffusive and convective forces are equally important at 40 LMH, virus breakthrough in buffer chase was observed only in one of the four filters investigated. When convective force dominates at 60 LMH or above, a high degree of virus clearance was observed for all three parvovirus filters investigated. Our work shed light on virus clearance during constant flux virus filtration for future continuous biomanufacturing.
Comparison of chemical constituents of Bupleurum marginatum var. stenophyllum and Bupleurum chinense DC. using UHPLC–Q‐TOF–MS based on a metabonomics approach
Authors: Xia Zhaodi , Liu Xia , Tong Liguo , Wang Han , Feng Mali , Xi Xiaohu , He Pan , Qin Xuemei 
Published: April 2021

AbstractThe overall chemical composition of Bupleurum marginatum var. stenophyllum and Bupleurum chinense DC. was compared in this study. Metabolites were identified using ultra‐high‐performance liquid chromatography–quadrupole time‐of‐flight mass spectrometry. Multivariate statistical analysis techniques such as principal component analysis were used to conduct metabonomics analysis and study the correlation between different components. Principal component analysis results showed a clear distinction among medicinal materials of different origins and divided them into different categories, consistent with the results of hierarchical cluster analysis. Both partial least squares discriminant analysis (PLS‐DA) and orthogonal partial least squares discriminant analysis (OPLS‐DA) showed that the two materials could be distinguished clearly. Using PLS‐DA and OPLS‐DA combined with the S‐plot and a variable importance in the projection (VIP) score >1, 24 differential metabolites were screened and identified; all of the metabolites were triterpenoid saponins. In addition, SPSS 25.0 and Metabo Analyst 4.0 were used to analyze significant differences in the relative contents of different compounds in the two materials. This study has successfully provided not only a new direction for research based on the chemical substances identified and the quality evaluation of Bupleuri Radix but also a better theoretical basis for the expansion of medicinal sources and their clinical application.