bluuebunny/crossref_metadata_2025 huggingface dataset:
EnsemV3X: a novel ensembled deep learning architecture for multi-label scene classification
Authors: Sobti Priyal , Nayyar Anand , Niharika  , Nagrath Preeti
Published: May 2021

Convolutional neural network is widely used to perform the task of image classification, including pretraining, followed by fine-tuning whereby features are adapted to perform the target task, on ImageNet. ImageNet is a large database consisting of 15 million images belonging to 22,000 categories. Images collected from the Web are labeled using Amazon Mechanical Turk crowd-sourcing tool by human labelers. ImageNet is useful for transfer learning because of the sheer volume of its dataset and the number of object classes available. Transfer learning using pretrained models is useful because it helps to build computer vision models in an accurate and inexpensive manner. Models that have been pretrained on substantial datasets are used and repurposed for our requirements. Scene recognition is a widely used application of computer vision in many communities and industries, such as tourism. This study aims to show multilabel scene classification using five architectures, namely, VGG16, VGG19, ResNet50, InceptionV3, and Xception using ImageNet weights available in the Keras library. The performance of different architectures is comprehensively compared in the study. Finally, EnsemV3X is presented in this study. The proposed model with reduced number of parameters is superior to state-of-of-the-art models Inception and Xception because it demonstrates an accuracy of 91%.
Measuring pathway database coverage of the phosphoproteome
Authors: Huckstep Hannah , Fearnley Liam G. , Davis Melissa J.
Published: May 2021

Protein phosphorylation is one of the best known post-translational mechanisms playing a key role in the regulation of cellular processes. Over 100,000 distinct phosphorylation sites have been discovered through constant improvement of mass spectrometry based phosphoproteomics in the last decade. However, data saturation is occurring and the bottleneck of assigning biologically relevant functionality to phosphosites needs to be addressed. There has been finite success in using data-driven approaches to reveal phosphosite functionality due to a range of limitations. The alternate, more suitable approach is making use of prior knowledge from literature-derived databases. Here, we analysed seven widely used databases to shed light on their suitability to provide functional insights into phosphoproteomics data. We first determined the global coverage of each database at both the protein and phosphosite level. We also determined how consistent each database was in its phosphorylation annotations compared to a global standard. Finally, we looked in detail at the coverage of each database over six experimental datasets. Our analysis highlights the relative strengths and weaknesses of each database, providing a guide in how each can be best used to identify biological mechanisms in phosphoproteomic data.
Analysis of Moving Chord Inclination Angles when Determining Curvature of Track Axis
Authors: Koc Wladyslaw
Published: May 2021

The analysis presented in the paper explains computational issues related to the use of a new method of determining the curvature of the track axis – the so-called moving chord method. It indicates the versatility of this method – it may be used both in a horizontal and vertical plane. It also draws attention to its very high precision, as evidenced by the exemplary geometric cases under consideration. The focus here is on the computational foundations of the discussed method regarding the angles of inclination of the moving chord. It was found that for a circular arc in the horizontal plane, the inclination angles of the moving chord depend on the track turning angle, while the difference in inclination angles depends only on the radius of the arc. In the case of a circular arc in the vertical plane, the moving chord inclination angles are much smaller than in the horizontal plane, which is connected with the range of the applied radii of the arcs. As in the horizontal plane, the radius of the vertical curve is the only factor that determines the discrepancy in the inclination angles of the moving chord.
Evaluation of Different Brands of Cefixime Available in Pakistan by Newly Developed Spectrophotometric Method
Authors: Maheshwari Madan Lal , Mughal Ubed-ur-Rahman , Kumari Geeta , Shaikh Bilawal , Qazi Maryam , Lashari Hosh Muhammad , Khatri Muhammad Akram , Kumar Narendar , Dev Dharam , Lakho Saeed Ahmed
Published: May 2021

A fast, simple and valued method is developed to observe the quality and quantity of different pharmaceutical brands of cefixime. A spectrophotometric method has been developed for analysis of cefixime (CFX) by reacting with 4-dimethylamino benzaldehyde (DAB) as derivatizing agent. The molar absorptivity of CFX-DAB, newly synthesized derivative was calculated as 3.2 x 105 L.mole-1cm-1 and λ maximum was 393 nm. The calibration curve was developed in range of 5-25 µg.mL-1as this concentration followed beers law. The derivatization reaction is stable and didn’t show any difference in absorbance with radiation interaction for up to one day. The percentage recovery of CFX was checked and calculated in different pharmaceuticals was within 95 to 99.5% with RSD value calculated in between RSD 0.69-0.96% (n=3), respectively. This newly developed and validated procedure was proved to be accurate and precise for the analysis of CFX. This method was successfully applied to check amount of CFX from 7 different brands of pharmaceutical preparations commercially available in Pakistan.
Potential Therapeutic effect of Bee Venom on Cisplatin-Induced Hepatotoxicity
Authors: Hassan Shroq A. , Alazragi Reem S. , Salem Neveen A.
Published: May 2021

The fact that cisplatin (CIS) can induce hepatotoxicity has limited its therapeutic uses, although it is recognised as a highly potent antineoplastic drug. Bee venom (BV) is an important toxin that exerts a potent anti-inflammatory effect and demonstrates significant pharmacological activities. The aim of this research was to investigate the therapeutic impact of BV administration orally on CIS-induced hepatotoxicity in a rat model when compared with individual drug therapy. Thirty albino male rats were used in this study. The rats were classified into three groups, each with ten rats (n = 10). The control group was group I, while groups II and III got CIS (a single dose of 7.5 mg/kg interperitoneally). After 24 hours, group III received BV (1 mg/kg orally), which was then administered daily for four weeks. The rats’ serum liver functions were estimated. The oxidative stress, antioxidant status, inflammatory mediators and fibrogenic and apoptotic markers were determined in the liver tissues. The results revealed that the administration of CIS induced a significant elevation in the serum aspartate aminotransferase, alanine aminotransferase and bilirubin levels, which was associated with a decrease in the albumin level. Additionally, significant increases in the hepatic tissue malondialdehyde, tumor necrosis factor alpha, interferon gamma, transforming growth factor beta, fibronectin and caspase-3 levels were noted. Moreover, significant decreases in the superoxide dismutase and catalase activities as well as the glutathione level were detected in the hepatic tissues. The administration of BV resulted in the notable amelioration of the aforementioned parameters. Interestingly, these parameters were restored to almost normal levels following administration of CIS and BV. The histopathological investigation revealed multiple focal inflammation sites that appeared to be associated with hepatic necrosis in the hepatic tissues of the CIS-treated rats. The co-administration of BV preserved the normal architecture of the hepatic tissues. These results indicate that the co-administration of BV exerts potent anti-hepatotoxic and cytoprotective effects by combating oxidative stress, inflammation, fibrogenic and apoptotic markers and histopathological changes. Thus, this study provides strong evidence of the superiority of combination drug therapy when compared with individual drug therapy.
Complex Regional Pain Syndrome: Impairment Assessment
Authors: Feinberg Steven D. , Brooks Charles N. , Brigham Christopher R.
Published: May 2021

Complex regional pain syndrome (CRPS) is characterized by chronic spontaneous and/or evoked regional pain disproportionate in severity, distribution, and/or duration to that typically experienced after a similar injury or illness. The pain may also begin without a known precipitant. While various authors have questioned the validity of the diagnosis, physicians will be asked to perform impairment ratings on patients diagnosed with CRPS. Hence, it is important to understand the issues associated with this syndrome; the diagnostic criteria for it, including the need to rule out other diagnoses that may explain the patient's presentation; and how to rate CRPS. The AMA Guides to the Evaluation of Permanent Impairment, Fifth Edition, provides approaches to assessing CRPS impairment that are refined in the Sixth Edition.
Ultra‐Deformable and Tissue‐Adhesive Liquid Metal Antennas with High Wireless Powering Efficiency
Authors: Yamagishi Kento , Zhou Wenshen , Ching Terry , Huang Shao Ying , Hashimoto Michinao
Published: May 2021

Flexible and stretchable antennas are important for wireless communication using wearable and implantable devices to address mechanical mismatch at the tissue–device interface. Emerging technologies of liquid‐metal‐based stretchable electronics are promising approaches to improve the flexibility and stretchability of conventional metal‐based antennas. However, existing methods to encapsulate liquid metals require monolithically thick (at least 100 µm) substrates, and the resulting devices are limited in deformability and tissue‐adhesiveness. To overcome this limitation, fabrication of microchannels by direct ink writing on a 7 µm‐thick elastomeric substrate is demonstrated, to obtain liquid metal microfluidic antennas with unprecedented deformability. The fabricated wireless light‐emitting device is powered by a standard near‐field‐communication system (13.56 MHz, 1 W) and retained a consistent operation under deformations including stretching (>200% uniaxial strain), twisting (180° twist), and bending (3.0 mm radius of curvature) while maintaining a high quality factor (q > 20). Suture‐free conformal adhesion of the polydopamine‐coated device to ex vivo animal tissues under mechanical deformations is also demonstrated. This technology offers a new capability for the design and fabrication of wireless biomedical devices requiring conformable tissue‐device integration toward minimally invasive, imperceptible medical treatments.
Construction of Bio‐Piezoelectric Platforms: From Structures and Synthesis to Applications
Authors: Xu Qianqian , Gao Xinyu , Zhao Senfeng , Liu You‐Nian , Zhang Dou , Zhou Kechao , Khanbareh Hamideh , Chen Wansong , Zhang Yan , Bowen Chris
Published: May 2021

Piezoelectric materials, with their unique ability for mechanical‐electrical energy conversion, have been widely applied in important fields such as sensing, energy harvesting, wastewater treatment, and catalysis. In recent years, advances in material synthesis and engineering have provided new opportunities for the development of bio‐piezoelectric materials with excellent biocompatibility and piezoelectric performance. Bio‐piezoelectric materials have attracted interdisciplinary research interest due to recent insights on the impact of piezoelectricity on biological systems and their versatile biomedical applications. This review therefore introduces the development of bio‐piezoelectric platforms from a broad perspective and highlights their design and engineering strategies. State‐of‐the‐art biomedical applications in both biosensing and disease treatment will be systematically outlined. The relationships between the properties, structure, and biomedical performance of the bio‐piezoelectric materials are examined to provide a deep understanding of the working mechanisms in a physiological environment. Finally, the development trends and challenges are discussed, with the aim to provide new insights for the design and construction of future bio‐piezoelectric materials.
Temperature‐Dependent Electronic Ground‐State Charge Transfer in van der Waals Heterostructures
Authors: Park Soohyung , Wang Haiyuan , Schultz Thorsten , Shin Dongguen , Ovsyannikov Ruslan , Zacharias Marios , Maksimov Dmitrii , Meissner Matthias , Hasegawa Yuri , Yamaguchi Takuma , Kera Satoshi , Aljarb Areej , Hakami Mariam , Li Lain‐Jong , Tung Vincent , Amsalem Patrick , Rossi Mariana , Koch Norbert
Published: May 2021

Electronic charge rearrangement between components of a heterostructure is the fundamental principle to reach the electronic ground state. It is acknowledged that the density of state distribution of the components governs the amount of charge transfer, but a notable dependence on temperature is not yet considered, particularly for weakly interacting systems. Here, it is experimentally observed that the amount of ground‐state charge transfer in a van der Waals heterostructure formed by monolayer MoS2 sandwiched between graphite and a molecular electron acceptor layer increases by a factor of 3 when going from 7 K to room temperature. State‐of‐the‐art electronic structure calculations of the full heterostructure that accounts for nuclear thermal fluctuations reveal intracomponent electron–phonon coupling and intercomponent electronic coupling as the key factors determining the amount of charge transfer. This conclusion is rationalized by a model applicable to multicomponent van der Waals heterostructures.
Nanoengineered Peptide‐Based Antimicrobial Conductive Supramolecular Biomaterial for Cardiac Tissue Engineering
Authors: Chakraborty Priyadarshi , Oved Hadas , Bychenko Darya , Yao Yifei , Tang Yiming , Zilberzwige‐Tal Shai , Wei Guanghong , Dvir Tal , Gazit Ehud
Published: May 2021

Owing to their dynamic nature and ordered architecture, supramolecular materials strikingly resemble organic components of living systems. Although short‐peptide self‐assembled nanostructured hydrogels are regarded as intriguing supramolecular materials for biotechnology, their application is often limited due to their low stability and considerable challenge of combining other desirable properties. Herein, a di‐Fmoc‐based hydrogelator containing the cell‐adhesive Arg–Gly–Asp (RGD) fragment that forms a mechanically stable, self‐healing hydrogel is designed. Molecular dynamics simulation reveals the presence of RGD segments on the surface of the hydrogel fibers, highlighting their cell adherence capacity. Aiming to impart conductivity, the 3D network of the hydrogel is further nanoengineered by incorporating polyaniline (PAni). The composite hydrogels demonstrate semiconductivity, excellent antibacterial activity, and DNA binding capacity. Cardiac cells grown on the surface of the composite hydrogels form functional synchronized monolayers. Taken together, the combination of these attributes in a single hydrogel suggests it as an exceptional candidate for functional supramolecular biomaterial designed for electrogenic tissue engineering.
In Situ Investigation of the Cu/CH3NH3PbI3 Interface in Perovskite Device
Authors: Ding Honghe , Yan Kangrong , Li Bairu , Hu Wanpei , Jia Lingbo , Zareen Shah , Freiberger Eva Marie , Huang Jianmin , Hu Jun , Xu Qian , Li Yu , Yang Shangfeng , Li Changzhi , Ye Yifan , Zhu Junfa
Published: May 2021

In this study, the electronic properties and chemical stability of the Cu/CH3NH3PbI3 interface are investigated in situ by a combination of X‐ray photoelectron spectroscopy and synchrotron radiation photoemission spectroscopy (SRPES). The morphology of Cu deposited perovskite surface is monitored by scanning electron microscopy. The results show that the Cu/CH3NH3PbI3 interface is very stable and no chemical reaction between Cu and the perovskite takes place. Moreover, a 0.45 eV interface dipole and a 0.15 eV upward band bending are obtained at the Cu/CH3NH3PbI3 interface. Based on these fundamental findings, a prototype of Cu/CH3NH3PbI3/NiOx/indium tin oxide solar cell device is constructed to check the power conversion efficiency (PCE) and device stability. Although no electron transport material is used in this device, it still exhibits decent performance. The PCE of the device reaches up to 9.99% and remains almost unchanged over a long‐time (49 d) storage in a N2‐filled glovebox. Through this study it is demonstrated that fundamental understanding of the interfacial structure of a perovskite solar cell is essential in pursuit of rational design of superior perovskite solar cells, and moreover, Cu is a promising electrode candidate for perovskite solar cells.
Self‐Healing Superhydrophobic Surfaces: Healing Principles and Applications
Authors: Xiang Siyuan , Liu Wendong
Published: May 2021

Superhydrophobic surfaces have already been applied in anti‐fouling, water‐oil separation, liquid transportation, etc. Surfaces can be defined as superhydrophobic surfaces once they can support a water droplet with its spherical shape maintained and accompanied by an apparent contact angle larger than 150° and a rolling‐off angle below 10°. Such water repellent property is achieved by the synergetic action of hierarchical structures and the low‐surface energy of the substances constructing the surface. Structures with high aspect ratio always perform good superhydrophobicity. However, they are usually with poor mechanical stability. Since durability is one of the essential factors for practical use, exploiting robust superhydrophobic surfaces has attracted tremendous interest. During the past decade, great effort has been made in developing self‐healing superhydrophobic surfaces to improve the potential practice and broaden the application fields. An overview of the recent development of self‐healing superhydrophobic surfaces is provided in this review. The focus here is particularly on the fabrication process based on specific healing mechanisms and possible applications. Finally, an outlook on future fabrication techniques for durable superhydrophobic surfaces is presented.
Enhanced Photoluminescence of Colloidal Lead‐Free Double Perovskite Cs2Ag1−xNaxInCl6 Nanocrystals Doped with Manganese
Authors: Su Xiaoming , Lian Linyuan , Zhang Chi , Zhang Jianbing , Liu Sisi , Zhu Sheng , Gao Yulong , Luo Wei , Li Honglang , Zhang Daoli
Published: May 2021

Lead‐free halide double perovskite Cs2AgInCl6 has attracted great attention due to its highly efficient luminescence and excellent stability. However, the parity forbidden electronic transition limits further applications in lighting and display fields. In this work, Cs2AgInCl6 nanocrystals (NCs) are synthesized by injecting trimethyl chlorosilane into the dissolved precursors at 180 °C and the as‐synthesized Cs2AgInCl6 NCs exhibit a weak orange emission peak at 570 nm with a photoluminescence quantum yield (PLQY) of 1.5%. In order to break the parity forbidden transition, various amounts of Na are alloyed into Cs2AgInCl6 NCs, resulting a peak PLQY of 13.4% in Cs2Na0.6Ag0.4InCl6 NCs. Then Mn2+ doped Cs2NaxAg1−xInCl6 NCs are synthesized in the same approach, in which the highest PLQY can be enhanced up to 36%. As a result, a redshifted photoluminescence emission peak at 625 nm is observed, which derives from the 4T1→6A1 transition of Mn2+ that is related to the ultrafast energy transfer from self‐trapped exciton states to the 4T1 excited state of Mn2+.
Cu–Ferrocene‐Functionalized CaO2 Nanoparticles to Enable Tumor‐Specific Synergistic Therapy with GSH Depletion and Calcium Overload
Authors: Kong Hanjing , Chu Qiang , Fang Chao , Cao Guodong , Han Gaorong , Li Xiang
Published: May 2021

The conversion of endogenous H2O2 into toxic hydroxyl radical (•OH) via catalytic nanoparticles is explored for tumor therapy and received considerable success. The intrinsic characteristics of microenvironment in tumor cells, such as limited H2O2 and overexpressed glutathione (GSH), hinder the intracellular •OH accumulation and thus weaken therapeutic efficacy considerably. In this study, fine CaO2 nanoparticles with Cu–ferrocene molecules at the surface (CaO2/Cu–ferrocene) are successfully designed and synthesized. Under an acidic condition, the particles release Ca2+ ions and H2O2 in a rapid fashion, while they can remain stable in neutral. In addition, agitated production of •OH occurs following the Fenton reaction of H2O2 and ferrocene molecules, and GSH is consumed by Cu2+ ions to avoid the potential •OH consumption. More interestingly, in addition to the exogenous Ca2+ released by the particles, the enhanced •OH production facilitates intracellular calcium accumulation by regulating Ca2+ channels and pumps of tumor cells. It turns out that promoted •OH induction and intracellular calcium overload enable significant in vitro and in vivo antitumor phenomena.
Recent Advances in Metal–Organic Frameworks Derived Nanocomposites for Photocatalytic Applications in Energy and Environment
Authors: Hussain Mian Zahid , Yang Zhuxian , Huang Zheng , Jia Quanli , Zhu Yanqiu , Xia Yongde
Published: May 2021

Solar energy is a key sustainable energy resource, and materials with optimal properties are essential for efficient solar energy‐driven applications in photocatalysis. Metal–organic frameworks (MOFs) are excellent platforms to generate different nanocomposites comprising metals, oxides, chalcogenides, phosphides, or carbides embedded in porous carbon matrix. These MOF derived nanocomposites offer symbiosis of properties like high crystallinities, inherited morphologies, controllable dimensions, and tunable textural properties. Particularly, adjustable energy band positions achieved by in situ tailored self/external doping and controllable surface functionalities make these nanocomposites promising photocatalysts. Despite some progress in this field, fundamental questions remain to be addressed to further understand the relationship between the structures, properties, and photocatalytic performance of nanocomposites. In this review, different synthesis approaches including self‐template and external‐template methods to produce MOF derived nanocomposites with various dimensions (0D, 1D, 2D, or 3D), morphologies, chemical compositions, energy bandgaps, and surface functionalities are comprehensively summarized and analyzed. The state‐of‐the‐art progress in the applications of MOF derived nanocomposites in photocatalytic water splitting for H2 generation, photodegradation of organic pollutants, and photocatalytic CO2 reduction are systemically reviewed. The relationships between the nanocomposite properties and their photocatalytic performance are highlighted, and the perspectives of MOF derived nanocomposites for photocatalytic applications are also discussed.
A Biomass‐Based Integral Approach Enables Li‐S Full Pouch Cells with Exceptional Power Density and Energy Density
Authors: Liu Yuping , Barnscheidt Yvo , Peng Manhua , Bettels Frederik , Li Taoran , He Tao , Ding Fei , Zhang Lin
Published: May 2021

Lithium‐sulfur (Li‐S) batteries, as part of the post‐lithium‐ion batteries (post‐LIBs), are expected to deliver significantly higher energy densities. Their power densities, however, are today considerably worse than that of the LIBs, limiting the Li‐S batteries to very few specific applications that need low power and long working time. With the rapid development of single cell components (cathode, anode, or electrolyte) in the last few years, it is expected that an integrated approach can maximize the power density without compromising the energy density in a Li‐S full cell. Here, this goal is achieved by using a novel biomass porous carbon matrix (PCM) in the anode, as well as N‐Co9S8 nanoparticles and carbon nanotubes (CNTs) in the cathode. The authors' approach unlocks the potential of the electrodes and enables the Li‐S full pouch cells with unprecedented power densities and energy densities (325 Wh kg−1 and 1412 W kg−1, respectively). This work addresses the problem of low power densities in the current Li‐S technology, thus making the Li‐S batteries a strong candidate in more application scenarios.
Bandgap Modulation in BP Field Effect Transistor and Its Applications
Authors: Zhang Fanqing , Yu Jinran , Sun Jia , Sun Qijun , Wang Zhong Lin
Published: May 2021

Black phosphorus (BP), an emerging crystal material with prominent features such as high carrier mobility and easily modulated band structure, fills the deficiencies of graphene and transition metal dichalcogenides. It has become a key component of 2D materials. The biggest advantage of BP is reflected in the fixed and direct energy band structure. Starting from the introduction of BP's crystal structure, this work reviews the important role of doping strategies, van der Waals heterojunction, and contact engineering thickness control technology in bandgap adjustment and performance improvement of BP field effect transistors. The focus is to put on the enhanced performance of electronic devices in high mobility, fast response speed, wide spectral range, low power consumption, and stronger stability caused by bandgap modulation. These methods cover from advanced technology to a wide range of electrical and optoelectronic progress in recent years, showing a booming development trend. In addition, considering the breakthrough of BP in new physics and application prospects, the potential applications of the active field are highlighted in this work.
Gas‐Lubricated Vibration‐Based Adhesion for Robotics
Authors: Weston-Dawkes William P. , Adibnazari Iman , Hu Yi-Wen , Everman Michael , Gravish Nick , Tolley Michael T.
Published: May 2021

Controllable adhesion has the capability to enable mobile robots to move freely across vertical and inverted surfaces for applications such as inspection, exploration, and cleaning. Previous methods for generating controllable adhesion have relied on fluidic adhesion through suction forces, electromagnetic adhesion through magnetic or electrical interactions, or dry fibrillar structures. Herein, a new method for achieving controllable adhesion by vibrating a flexible plate near a surface, which generates a strong and controllable attraction force, is presented. This adhesion mechanism has the unique property of providing strong adhesion normal to a surface, but very low resistance to motion parallel to the surface, making it attractive for mobile robots. Adhesive capabilities of vibration‐based adhesion (VBA) to characterize adhesive force dependence on vibration frequency and surface size are studied. Spatial pressure measurements within the adhesive zone, in combination with visualization of surface vibration modes, demonstrate that adhesion is localized to the center of the disk and decreases radially. A mobile robot to highlight the capabilities and robustness of VBA for payload transport, climbing to inversion transitions, and adhesion control is developed. Overall, a novel physical mechanism for robot‐surface adhesion that is robust, controllable, and enables rapid low‐friction locomotion is presented herein.
Elevated holo‐transcobalamin in Gaucher disease type II: A case report
Authors: Basgalupp Suelen Porto , Donis Karina Carvalho , Siebert Marina , e Vairo Filippo Pinto , Artigalas Osvaldo , de Camargo Pinto Louise L. , Behringer Sidney , Spiekerkoetter Ute , Hannibal Luciana , Schwartz Ida Vanessa D.
Published: May 2021

Gaucher disease (GD), one of the most common lysosomal disorders, is caused by deficiency of β‐glucocerebrosidase. Based on the presence and severity of neurological complications, GD is classified into types I, II (the most severe form), and III. Abnormalities in systemic markers of vitamin B12 (B12) metabolism have been reported in GD type I patients, suggesting a higher prevalence of B12 deficiency in these patients. A 2‐month‐old male with GD type II was admitted to the hospital presenting jaundice, hepatosplenomegaly, and ichthyosis. At admission, cholestasis and ascites, abnormal liver function enzymes, prolonged prothrombin time, and high levels of B12 were confirmed. Analysis of biomarkers of B12 status revealed elevated B12 and holo‐transcobalamin (holo‐TC) levels. The B12 profile found in our patient is the opposite to what is described for GD type I patients. Holo‐TC may increase in inflammatory states or due to liver diseases. In GD, the accumulation of glucocerebroside may be a trigger that initiates a systemic inflammatory reaction, characterized by macrophage activation. We suggest higher levels of holo‐TC could be associated with a more severe (neuronopathic) GD, and be a biomarker of GD type II.
Co‐sensitization of 4‐(thiophene‐2‐ylmethylene)thiazolidin‐5‐one dyes with Ru(II) complex N‐719
Authors: Althagafi Ismail , El‐Metwaly Nashwa
Published: May 2021

Five novel co‐sensitizers IS‐8 to IS‐12 were synthesized to study their effect on the co‐sensitization with standard Ru(II) dye (N‐719). These effective co‐sensitizers (IS‐8 to IS‐12) include 3‐phenyl‐4‐(thiophen‐2‐ylmethylene)thiazolidin‐5‐one linked with malononitrile (IS‐8), ethyl cyanoacetate (IS‐9), 2‐cyano‐N‐phenylacetamide (IS‐10), 4‐(2‐cyanoacetamido)benzoic acid (IS‐11), and 2‐cyano‐N‐(4‐nitrophenyl)acetamide (IS‐12). From the obtained results, all co‐sensitizers possess thermodynamic requirements for dye‐sensitized solar cell applications (DSSCs). Their photovoltaic studies were evaluated through the device fabrication. Over co‐sensitization with N‐719, all co‐sensitizers enhance the photovoltage of N‐719. Further, N‐719 co‐sensitized with IS‐11 and IS‐12 performed power conversion efficiency of 8.32% and 8.09%, respectively, higher than N‐719 only, which performed 7.74% only. The higher photovoltaic performance of these co‐sensitizers may be attributed to maximum JSC values. The results ameliorate the role of efficient co‐sensitizers to yield DSSC with improved performance.
An efficient, multicomponent synthesis of aminoalkylnaphthols via Betti reaction using ZSM‐5 as a recoverable and reusable catalyst
Authors: Keri Rangappa S. , Patil Mahadeo , Budagumpi Srinivasa , Sasidhar Balappa S.
Published: May 2021

The design and application of environmentally friendly catalysts to reduce the number of toxic wastes are critical for improving the chemical synthetic protocols. A simple, mild, efficient, and eco‐friendly method was developed for the synthesis of a series of Betti bases, 1‐(α‐aminoalkyl)naphthols, via a one‐pot, multi‐component reaction from aldehydes, β‐naphthol and secondary amines in the presence of H‐ZSM‐5 as a catalyst at room temperature. The key advantages of the new protocol are environmentally friendly as it offers some interesting promising reaction prerequisites such as mild condition, safe, minimal waste, low cost, short reaction time and atom efficiency, easy workup, high to excellent yields, and possessing excellent functional group tolerance to synthesize structurally diverse derivatives. The catalyst is readily recovered by simple decantation and recycled several times with no significant loss in the catalytic activity.
Coping with the pandemic. Psychoanalytical interventions with parents and children: Institutional and community approaches
Authors: Raznoszczyk Schejtman Clara
Published: May 2021

In this text, I will present reflections on the relationship between individual trauma and collective trauma and the consideration of the pandemic as both a natural and a social catastrophe in which damage to health is added to damage in the rupture of social and relational bonds. Vicissitudes that Argentine families, particularly those in Buenos Aires, went through during the compulsory lockdown and the work of psychoanalysts both in remote analysis with children and parents, as well as in interventions proposed for the community will be presented. Theoretical and conceptual descriptions will be offered together with examples from clinical material and community institutional experiences and collected data.
Clinical MR imaging in Parkinson’s disease: How useful is the swallow tail sign?
Authors: Prasuhn Jannik , Neumann Alexander , Strautz Robert , Dreischmeier Shalida , Lemmer Felicitas , Hanssen Henrike , Heldmann Marcus , Schramm Peter , Brüggemann Norbert
Published: May 2021

Background

With conventional MRI, no Parkinson's disease (PD)‐specific abnormalities can be detected. However, there is a critical need for accompanying neuroimaging markers to guide the diagnosis. With high‐resolution susceptibility‐weighted MRI (SWI) sequences, the imaging of nigrosome‐1 (N1) is possible. The so‐called swallow tail sign (STS) has been proposed as a suitable neuroimaging marker for the diagnosis of PD.

Objectives

To investigate whether the absence of the STS can be applied for distinguishing PD patients from healthy controls (HCs).

Methods

SWI images of 44 PD patients and 50 age‐ and gender‐matched HCs were investigated using a 3T MRI scanner. Two trained neuroradiologists blind‐rated the images and evaluated whether the STS was absent (1) on one side or (2) both sides of the participant's midbrain.

Results

Our results confirmed good interrater reliability comparable to previously published studies. However, we did not identify any group differences between PD patients and HCs. Measures of diagnostic values revealed overall poor diagnostic performance.

Conclusions

Even though previously stated, our study does not confirm the potential use of the STS as a supportive neuroimaging marker for PD in a clinical setting. In conclusion, there is a critical need for improvements in N1‐targeted MRI sequences and the development of advanced segmentation algorithms.
Doing it for us: Community identification predicts willingness to receive aCOVID‐19 vaccination via perceived sense of duty to the community
Authors: Wakefield Juliet Ruth Helen , Khauser Amreen
Published: May 2021

The COVID‐19 pandemic has presented huge challenges for communities across the world. Vaccines offer the best hope for controlling its deleterious effects, but not everybody is willing to be vaccinated, so it is important to explore variables that might predict vaccination willingness. The present study addressed this by drawing upon the Social Identity Approach, which posits that people's membership of social groups is consequential for their thoughts and behaviour. Specifically, it was predicted that people's strength of identification with their local community (a social group that came to particular prominence during the pandemic) would positively predict their willingness to engage in community‐related prosocial normative behaviour (i.e., their perceived sense of duty, as a community member, to get vaccinated) and that this, in turn, would predict higher levels of vaccination willingness. Participants (N = 130) completed an online survey, which supported the hypothesized mediation model, even after controlling for subjective neighbourhood socio‐economic status and age (two variables that are particularly likely to impact upon vaccination willingness). To our knowledge, this is the first study to apply Social Identity Approach principles to the study of COVID‐19 vaccination willingness. The implications of the findings for governments' efforts to boost vaccine uptake are discussed. Please refer to the Supplementary Material section to find this article'sCommunity and Social Impact Statement.
Learning a deep motion interpolation network for human skeleton animations
Authors: Zhou Chi , Lai Zhangjiong , Wang Suzhen , Li Lincheng , Sun Xiaohan , Ding Yu
Published: May 2021

Motion interpolation technology produces transition motion frames between two discrete movements. It is wildly used in video games, virtual reality and augmented reality. In the fields of computer graphics and animations, our data‐driven method generates transition motions of two arbitrary animations without additional control signals. In this work, we propose a novel carefully designed deep learning framework, named deep motion interpolation network (DMIN), to learn human movement habits from a real dataset and then to perform the interpolation function specific for human motions. It is a data‐driven approach to capture overall rhythm of two given discrete movements and generate natural in‐between motion frames. The sequence‐by‐sequence architecture allows completing all missing frames within single forward inference, which reduces computation time for interpolation. Experiments on human motion datasets show that our network achieves promising interpolation performance. The ablation study demonstrates the effectiveness of the carefully designed DMIN.1
A rare case of plexiform schwannoma on the foot
Authors: Araghi Farnaz , Tabary Mohammadreza , Kamyab Kambiz , Forouzanfar Mohammad‐Mehdi , Robati Reza M.
Published: May 2021

Plexiform schwannoma is an uncommon soft tissue tumor that could even rarely presented on the foot and toes.
The Impact of Computational Uncertainties on the Enantioselectivity Predictions: A Microkinetic Modeling of Ketone Transfer Hydrogenation with a Noyori‐type Mn‐diamine Catalyst
Authors: Krieger Annika M. , Pidko Evgeny A.
Published: May 2021

Selectivity control is one of the most important functions of a catalyst. In asymmetric catalysis the enantiomeric excess (e.e.) is a property of major interest, with a lot of effort dedicated to developing the most enantioselective catalyst, understanding the origin of selectivity, and predicting stereoselectivity. Herein, we investigate the relationship between predicted selectivity and the uncertainties in the computed energetics of the catalytic reaction mechanism obtained by DFT calculations in a case study of catalytic asymmetric transfer hydrogenation (ATH) of ketones with an Mn‐diamine catalyst. Data obtained from our analysis of DFT data by microkinetic modeling is compared to results from experiment. We discuss the limitations of the conventional reductionist approach of e.e. estimation from assessing the enantiodetermining steps only. Our analysis shows that the energetics of other reaction steps in the reaction mechanism have a substantial impact on the predicted reaction selectivity. The uncertainty of DFT calculations within the commonly accepted energy ranges of chemical accuracy may reverse the predicted e.e. with the non‐enantiodetermining steps contributing to e.e. deviations of up to 25 %.
Total Synthesis and Bioactivity Mapping of Geodiamolide H
Authors: Nasufović Veselin , Küllmer Florian , Bößneck Johanna , Dahse Hans‐Martin , Görls Helmar , Bellstedt Peter , Stallforth Pierre , Arndt Hans‐Dieter
Published: May 2021

The first total synthesis of the actin‐stabilizing marine natural product geodiamolide H was achieved. Solid‐phase based peptide assembly paired with scalable stereoselective syntheses of polyketide building blocks and an optimized esterification set the stage for investigating the key ring‐closing metathesis. Geodiamolide H and synthetic analogues were characterized for their toxicity and for antiproliferative effects in cellulo, by characterising actin polymerization induction in vitro, and by docking on the F‐actin target and property computation in silico, for a better understanding of structure‐activity relationships (SAR). A non‐natural analogue of geodiamolide H was discovered to be most potent in the series, suggesting significant potential for tool compound design.
Construction of Stable Helical Metal‐Organic Frameworks with a Conformationally Rigid “Concave Ligand”
Authors: Zhao Kai , He Ying , Shan Chuan , Wojtas Lukasz , Ren Junyu , Yan Yu , Shi Hanzhong , Wang Haonan , Song Zhiguang , Shi Xiaodong
Published: May 2021

A helical metal‐organic framework was prepared by using a conformationally rigid tetratopic benzoic acid ligand with binding units pointing toward each other (concave ligand). To avoid the obvious intramolecular interactions between binding units, matching spacing groups were applied to introduce atropic repulsion, thereby allowing the formation of extended frameworks for the first time. With this new ligand design, a helical‐shaped MOF with significantly improved air and moisture stability was successfully prepared, thus providing a new strategy for ligand design toward porous material constructions.
From Quinoline to Quinazoline‐Based S. aureus NorA Efflux Pump Inhibitors by Coupling a Focused Scaffold Hopping Approach and a Pharmacophore Search
Authors: Cedraro Nicholas , Cannalire Rolando , Astolfi Andrea , Mangiaterra Gianmarco , Felicetti Tommaso , Vaiasicca Salvatore , Cernicchi Giada , Massari Serena , Manfroni Giuseppe , Tabarrini Oriana , Cecchetti Violetta , Barreca Maria Letizia , Biavasco Francesca , Sabatini Stefano
Published: May 2021

Antibiotic resistance breakers, such as efflux pump inhibitors (EPIs), represent a powerful alternative to the development of new antimicrobials. Recently, by using previously described EPIs, we developed pharmacophore models able to identify inhibitors of NorA, the most studied efflux pump of Staphylococcus aureus. Herein we report the pharmacophore‐based virtual screening of a library of new potential NorA EPIs generated by an in‐silico scaffold hopping approach of the quinoline core. After chemical synthesis and biological evaluation of the best virtual hits, we found the quinazoline core as the best performing scaffold. Accordingly, we designed and synthesized a series of functionalized 2‐arylquinazolines, which were further evaluated as NorA EPIs. Four of them exhibited a strong synergism with ciprofloxacin and a good inhibition of ethidium bromide efflux on resistant S. aureus strains coupled with low cytotoxicity against human cell lines, thus highlighting a promising safety profile.
The PhotoFlexys: A Multi‐Purpose Reactor Platform to Simplify Process Intensification and Mechanistic Studies in Photochemistry
Authors: Rößler Martin , Liauw Marcel A.
Published: May 2021

Reactor technology plays a vital role in photochemistry since process efficiency and reproducibility largely depend on the used reactor design. Considering the diverse requirements for photochemical reactions, we have developed a multi‐purpose reactor platform that aims for an equally efficient implementation of photochemical reactions under batch and continuous flow conditions. Interchangeable irradiation units and reactor functionalities reduce the necessary equipment for running photochemical reactions to a minimum. The versatility of the reactor platform has been tested on a variety of benchmark reactions under batch, multi‐batch and continuous flow conditions. Uniting the strengths of the photoreactor platform with an in‐situ monitoring approach permitted reliable kinetic and mechanistic studies.
Application of natural yellow (curcumin) dye on silk to impart multifunctional finishing and validation of dyeing process using BBD model
Authors: Palaskar Shital S. , Kale Ravindra D. , Deshmukh Rajendra R.
Published: May 2021

Dyeing of silk fabric was carried with curcumin, extracted from turmeric, which is known for its yellow colour and antioxidant properties. Design expert Box‐Behnken design (BBD) model was employed to perform dyeing experiments on silk fabric with curcumin dye. The dyed fabrics were characterized for its functional properties by colour measurement as K/S values, antioxidant activity by DPPH assay and UPF. The curcumin dyed silk samples showed upto 88% antioxidant activity and good to excellent ultraviolet protection depending on the percentage of curcumin used. The effect of pre‐mordanting using metal mordants was also studied.
Intravital Microscopy for the Study of Hepatic Glucose Uptake
Authors: Stefkovich Megan L. , Kang Sun Woo Sophie , Porat‐Shliom Natalie
Published: May 2021

The liver is central in maintaining glucose homeostasis. Indeed, impaired hepatic glucose uptake has been implicated in the development of hyperglycemia in type II diabetes (T2D) and non‐alcoholic fatty liver disease (NAFLD). However, current approaches to evaluate glucose mobilization rely on indirect measurements that do not provide spatial and temporal information. Here, we describe confocal‐based intravital microscopy (IVM) of the liver that allows the identification of hepatocyte spatial organization and glucose transport. Specifically, we describe a method to fluorescently label hepatic landmarks to identify different compartments within the liver. In addition, we outline an in vivo fluorescent glucose uptake assay to quantitatively measure glucose mobilization in space and time. These protocols allow direct investigation of hepatic glycemic control and can be further applied to murine models of liver disease. © Published 2021. This article is a U.S. Government work and is in the public domain in the USA.

Basic Protocol 1: Mouse surgical procedure and positioning for liver intravital imaging

Basic Protocol 2: Fluorescent labeling and intravital imaging of mouse hepatic compartments

Basic Protocol 3: Mouse hepatic glucose uptake assay and intravital imaging analysis
Formation of a New Cocrystal Methyl‐4‐hydroxybenzoate:Urea and Its Structural and Thermal Properties
Authors: Vajaravel Manikandan , Karuppannan Srinivasan
Published: May 2021

A new cocrystal comprising two pharmaceutically important molecules methyl‐4‐hydroxybenzoate (p‐MHB) (C8H8O3) and carbonyl diamide (urea) [CO(NH2)2] is crystallized together for the first time through restricted solvent evaporation method at ambient conditions. The single crystal X‐ray diffraction analysis shows that the engineered cocrystal p‐MHB:urea (1:1) (C9H12N2O4) crystallizes in monoclinic system with centrosymmetric space group C12/c1. The internal structure analysis shows that the urea molecule with its unique ability forms hydrogen bonding network throughout the cocrystal system. Different orientations of the identified synthons form the networks via supramolecular connections such as C═O⋯H─O and C═O⋯N─H. Correlation between the internal molecular configurations in the unit cell, protruding molecular groups on different growth faces, and attachment energies of different crystal planes is studied. The Hirshfeld surface analysis shows that the higher percentage of overall interactions between the carbon and oxygen atoms at the outer surfaces of the cocrystal induces further incorporation of molecular aggregation and crystal growth. The 2D finger print plots infer that about 90.9% of the overall interactions are mainly due to the H bonds. Differential scanning calorimetry analysis reveals that the grown cocrystal undergoes an observable phase transition at 105.65 °C prior to its melting endotherm that peaks at 110.29 °C.
Analysis of human chromosomes by imaging flow cytometry
Authors: Stanley Jason , Hui Henry , Erber Wendy , Clynick Britt , Fuller Kathy
Published: May 2021

Chromosomal analysis is traditionally performed by karyotyping on metaphase spreads, or by fluorescent in situ hybridization (FISH) on interphase cells or metaphase spreads. Flow cytometry was introduced as a new method to analyze chromosomes number (ploidy) and structure (telomere length) in the 1970s with data interpretation largely based on fluorescence intensity. This technology has had little uptake for human cytogenetic applications primarily due to analytical challenges. The introduction of imaging flow cytometry, with the addition of digital images to standard multi‐parametric flow cytometry quantitative tools, has added a new dimension. The ability to visualize the chromosomes and FISH signals overcomes the inherent difficulties when the data is restricted to fluorescence intensity. This field is now moving forward with methods being developed to assess chromosome number and structure in whole cells (normal and malignant) in suspension. A recent advance has been the inclusion of immunophenotyping such that antigen expression can be used to identify specific cells of interest for specific chromosomes and their abnormalities. This capability has been illustrated in blood cancers, such as chronic lymphocytic leukemia and plasma cell myeloma. The high sensitivity and specificity achievable highlights the potential imaging flow cytometry has for cytogenomic applications (i.e., diagnosis and disease monitoring). This review introduces and describes the development, current status, and applications of imaging flow cytometry for chromosomal analysis of human chromosomes.