bluuebunny/crossref_metadata_2025_split huggingface dataset:
Accessing Improbable Foldamer Shapes with Strained Macrocycles
Authors: Urushibara Ko , Ferrand Yann , Liu Zhiwei , Katagiri Kosuke , Kawahata Masatoshi , Morvan Estelle , D'Elia Ryan , Pophristic Vojislava , Tanatani Aya , Huc Ivan 
Published: April 2021

AbstractThe alkylation of some secondary amide functions with a dimethoxybenzyl (DMB) group in oligomers of 8‐amino‐2‐quinolinecarboxylic acid destabilizes the otherwise favored helical conformations, and allows for cyclization to take place. A cyclic hexamer and a cyclic heptamer were produced in this manner. After DMB removal, X‐ray crystallography and NMR show that the macrocycles adopt strained conformations that would be improbable in noncyclic species. The high helix folding propensity of the main chain is partly expressed in these conformations, but it remains frustrated by macrocyclization. Despite being homomeric, the macrocycles possess inequivalent monomer units. Experimental and computational studies highlight specific fluxional pathways within these structures. Extensive simulated annealing molecular dynamics allow for the prediction of the conformations for larger macrocycles with up to sixteen monomers.
A Structure‐Activity Relationship Study of Bimodal BODIPY‐Labeled PSMA‐Targeting Bioconjugates
Authors: Stemler Tobias , Hoffmann Caroline , Hierlmeier Ina M. , Maus Stephan , Krause Elmar , Ezziddin Samer , Jung Gregor , Bartholomä Mark D. 
Published: April 2021

AbstractThe aim of this study was to identify a high‐affinity BODIPY peptidomimetic that targets the prostate‐specific membrane antigen (PSMA) as a potential bimodal imaging probe for prostate cancer. For the structure‐activity study, several BODIPY (difluoroboron dipyrromethene) derivatives with varying spacers between the BODIPY dye and the PSMA Glu‐CO‐Lys binding motif were prepared. Corresponding affinities were determined by competitive binding assays in PSMA‐positive LNCaP cells. One compound was identified with comparable affinity (IC50=21.5±0.1 nM) to Glu‐CO‐Lys‐Ahx‐HBED‐CC (PSMA‐11) (IC50=18.4±0.2 nM). Radiolabeling was achieved by Lewis‐acid‐mediated 19F/18F exchange in moderate molar activities (∼0.7 MBq nmol−1) and high radiochemical purities (>99 %) with mean radiochemical yields of 20–30 %. Cell internalization of the 18F‐labeled high‐affinity conjugate was demonstrated in LNCaP cells showing gradual increasing PSMA‐mediated internalization over time. By fluorescence microscopy, localization of the high‐affinity BODIPY‐PSMA conjugate was found in the cell membrane at early time points and also in subcellular compartments at later time points. In summary, a high‐affinity BODIPY‐PSMA conjugate has been identified as a suitable candidate for the development of PSMA‐specific dual‐imaging agents.
Recent Progress on Photocatalytic CO2 Reduction with Earth‐abundant Single‐atom Reactive Sites
Authors: Guan Xiangjiu , Mao Samuel S. , Shen Shaohua 
Published: April 2021

AbstractPhotocatalytic CO2 reduction reaction represents a promising means of solar‐fuel production through conversion of CO2 feedstock. Suitable reactive sites are crucially important for ensuring high efficiency and good selectivity of target products. The construction of single‐atomic reactive sites with earth‐abundant materials on the surface of semiconductor can provide an efficient and cost‐effective route of photocatalytic reaction, demonstrating great potential for photocatalytic CO2 reduction reaction. Herein, we give a short review on the mechanism of photocatalytic CO2 reduction reaction, single‐atom reactive sites and the constructing strategies, recent progress and future perspectives of single‐atom reactive sites with earth‐abundant materials for photocatalytic CO2 reduction reaction.
Assessment of the factors affecting the weathering properties of Pigment Yellow 74 in decorative paint
Authors: Nikam Pramod , Haramagatti Chandrashekara R. , Joshi Amit 
Published: April 2021

AbstractColor or shade fading is one of the major issues observed in decorative paints. Here we have carried out a systematic artificial weathering study using QUV and ATLAS weathering test chambers for Pigment Yellow 74 (PY 74). Pigment dispersion of PY 74 received from three different manufacturers are prepared. Various factors, such as the processing parameter, for example, grinding temperature (with and without cooling water circulation during the processing of pigment dispersion), with respect to paints the factors such as primers and clear base paints of different batches, and as for the ATLAS and QUV weatherability test concerned, test panels of different lots, and multiple QUV chambers are evaluated. The color difference was recorded at regular time intervals for the panels exposed to ATLAS and QUV test of 1000 hours using color spectrophotometer. A significant color difference was recorded for the panels coated with paints based on pigment dispersion prepared using PY 74 from different manufacturers, and the difference in grinding temperature. These results show the importance of process parameters such as grinding temperature on weathering properties, and systematic testing approaches for QUV/ATLAS for the pigments from different manufacturers.
Azulene‐Substituted Donor‐Acceptor Polymethines and 1,6’‐Bi‐, 1,6′;3,6′′‐Ter‐, and Quinqueazulenes via Zincke Salts: Synthesis, and Structural, Optical, and Electrochemical Properties
Authors: Shoji Taku , Yamazaki Akari , Ariga Yukino , Uda Mayumi , Ando Daichi , Sasahara Nichika , Kai Naohito , Ito Shunji 
Published: April 2021

AbstractAzulene‐substituted donor‐acceptor polymethines, bi‐, ter‐, and quinqueazulenes composed of the 1,6′‐biazulene unit have been successfully prepared from corresponding Zincke salts. The synthesis of polymethines through the reaction of Zincke salts with several amines, followed by a Knoevenagel reaction with malononitrile, was accomplished in moderate to high yields (40–92 %). Meanwhile, the reaction of Zincke salts with secondary amines and the subsequent sequential condensation‐cyclization with cyclopentadienide ions, so‐called Ziegler‐Hafner method, produced the corresponding 1,6′‐biazulenes, 1,6′;3,6′′‐terazulenes, and quinqueazulene, respectively. The structural, optical, and electrochemical properties of the azulene‐substituted donor‐acceptor polymethines, bi‐, ter‐, and quinqueazulenes were revealed by single‐crystal X‐ray structure analysis, UV/vis spectroscopy, voltammetry analysis, spectroelectrochemistry, and theoretical calculations. These results suggested that the substituents on the azulene ring and their substitution positions directly affect their reactivities, optical and electrochemical properties.
Systematic analysis of control techniques for the dual active bridge converter in photovoltaic applications
Authors: Herrera‐Jaramillo Diego Alejandro , González Montoya Daniel , Henao‐Bravo Elkin Edilberto , Ramos‐Paja Carlos Andrés , Saavedra‐Montes Andrés Julián 
Published: April 2021

SummaryThe dual active bridge (DAB) converter has high efficiency and versatility; hence, such a converter has been used to design photovoltaic (PV) applications with both step‐up and step‐down voltage capabilities. However, PV systems require maximum power point tracking (MPPT) controllers to track the optimal operation conditions; moreover, PV voltage controllers are required to reject load perturbations that reduce the MPPT performance. This paper describes the operation of a DAB converter in PV systems and compares the performance of the DAB converter with a classical boost solution. In addition, this paper also presents a systematic analysis of the control techniques for DAB converters in PV applications, which provides useful information for selecting the most suitable approach for a particular application.
Prevalence of depression, anxiety, and apathy symptoms across dementia stages: A systematic review and meta‐analysis
Authors: Leung Dara K.Y. , Chan Wai Chi , Spector Aimee , Wong Gloria H.Y. 
Published: April 2021

AbstractObjectiveThe present study aimed to resolve inconsistency in reported prevalence of affective symptoms by dementia stage.Methods/DesignWe conducted a meta‐analysis of studies with data on dementia stage and prevalence of depression, anxiety, or apathy assessed using validated tools. We performed random‐effects meta‐analysis and subgroup analysis on symptom prevalence by dementia stage, according to CDR.ResultsThe meta‐analysis included 5897 people with dementia from 20 studies. Prevalence rates of depression in mild, moderate, and severe dementia were 38% (95% CI 32%–45%), 41% (95% CI 33%–49%), and 37% (95% CI 17%–56%) respectively. The corresponding prevalence for anxiety was 38% (95% CI 31%–45%), 41% (95% CI 31%–52%), and 37% (95% CI −8%–82%); and 54% (95% CI 45%–62%), 59% (95% CI 44%–73%), and 43% (95% CI 10%–75%) for apathy. The prevalence of depression, anxiety, and apathy did not differ with regard to dementia stage and type. The prevalence of depression in Alzheimer's disease (AD) was significantly lower when it was assessed using diagnostic criteria compared to screening tools. The prevalence of depression in AD was lowest in America, while anxiety in vascular dementia was higher in Europe than Asia.ConclusionsDepression, anxiety, and apathy symptoms are highly prevalent across dementia stages. There is no evidence of any changes in prevalence of affective symptom as the illness progresses. Evaluation methods and cultural difference may explain some of the variance, suggesting further investigation of factors that may influence the report of symptoms, such as carer psychosocial characteristics, and more cross‐cultural studies are needed.
Pediatric and adolescent gynecology through a global lens
Authors: Roos Eveline J. , Simms‐Cendan Judy , Cheung Charleen , Laufer Deborah , Grover Sonia R. ,   FIGIJ board in collaboration with FIGO
Published: April 2021

AbstractGirls and adolescents, aged 0–19 years make up almost 30% of the world’s female population yet their specific healthcare needs often slip between the gaps of pediatrics and adult women’s health. Pediatric and adolescent gynecology is the clinical field that endeavors to address the reproductive health needs of this age group. The environment and psychosocial well‐being, social determinants of health, have direct bearing on reproductive health, affecting menstrual cycles, menstrual hygiene, and risks for unintended pregnancy and sexually transmitted infections. This narrative review will highlight common gynecologic conditions of adolescents, especially where diagnosis and management are distinct from adult women. It will also present preventive health strategies to improve reproductive health through vaccination, improved access to hygiene supplies and contraception.
Impact of boric acid and saline water irrigation on germination and seedling establishment of wheat*
Authors: Al‐Tabbal Jalal , Al‐Zboon Kamel K. 
Published: April 2021

AbstractThe main purpose of this experiment was to investigate the effects of salinized water with boric acid and sodium chloride (NaCl) on seed germination and seedling establishment of wheat. The following treatments were applied: Boric acid solution (0, 40, 240, and 480 μM) and NaCl solution (0, 50, 250, and 1,000 μM) were combined to produce 16 different solutions. The highest germination percentages were found in distilled water. Shoot length and root length of wheat were reduced by increments of all boric acid treatments in both saline solution and distilled water, but the decrease in shoot length due to boron toxicity was significant more pronounced in saline conditions. The greatest shoot and root lengths were observed in the control treatment (distilled water), and the smallest lengths were observed in the highest boric acid treatment (480 μM). Shoot and root dry weight also decreased with increasing boric acid. The averages of variables were also significantly affected by salinity solutions, but to a greater extent than under the influence of boric acid. It is concluded that wheat plants cannot tolerate salinized water with boric acid and NaCl during the germination stage.
New nanocomposite made of cashew apple bagasse lignin and Fe3O4 for immobilizing of lipase B from Candida antarctica aiming at esterification
Authors: Serpa Juliana de França , Matias Gabriel AB , Fechine Pierre BA , da Costa Victor M , Freire Rafael M , Denardin Juliano C , Gonçalves Luciana RB , de Macedo André C , Rocha Maria VP 
Published: April 2021

AbstractBACKGROUNDNovel magnetite‐lignin hybrid materials were synthesized using lignin from cashew apple bagasse (CAB) and iron oxide nanoparticles (magnetite, Fe3O4). The new material, termed MNs/Lig (magnetite conjugated with lignin), was used as a support for the immobilization of lipase B from Candida antarctica (CAL─B), aiming to obtain an active and stable biocatalyst that is easily recoverable from the reactional medium.RESULTSThe magnetite/lignin composite showed a higher thermal stability than pure lignin, and it presented good magnetic properties, both before and after the immobilization procedure. The immobilization yield was higher using the unaltered MN/Lig as a support than when using the glutaraldehyde‐activated MNs/Lig (MNs/Lig_GA), with yields of 66.6% and 40.0%, respectively. The presence of Triton X‐100 did not influence the immobilization yield or the thermal stability of the biocatalyst when employing the unaltered MNs/Lig. However, it influenced the thermal stability of the lipase immobilized on MNs/Lig_GA, lowering the biocatalyst stability, which showed a half‐life 11‐fold lower than that of MNs/Lig_GA_CALB. The biocatalysts were tested with regards to the synthesis of ethyl oleate using oleic acid and ethanol as substrates, and 2‐ethylhexyl oleate (a biolubricant) using oleic acid and 2‐ethyl‐hexanol as substrate. The conversions obtained by MNs/Lig_Tri_CALB were 88.2% and 76.7% for ethyl oleate and 2‐ethylhexyl oleate, respectively.CONCLUSIONThe novel strategy presented in this work for obtaining a biocatalyst using synthesized hybrids (MNs/Lig) may be a promising route for lipase immobilization because it can be considered environmentally benign and it shows a strong potential use in several reactions of industrial interest. © 2021 Society of Chemical Industry (SCI).
Resolution of peri‐implantitis by means of implantoplasty as adjunct to surgical therapy: A retrospective study
Authors: Monje Alberto , Pons Ramón , Amerio Ettore , Wang Hom‐Lay , Nart José 
Published: April 2021

AbstractBackgroundThere is a paucity of data on the effectiveness of implantoplasty as adjunct to the surgical management of peri‐implantitis. The purpose of this study was to evaluate the resolution of peri‐implantitis by means of implantoplasty as adjunct to surgical resective (RES) and reconstructive (REC) therapies and supportive maintenance.MethodsPatients that underwent surgical therapy to manage peri‐implantitis with a follow‐up of ≥12 months and enrolled in a regular peri‐implant supportive care were recruited. RES group consisted of two interventions that included osseous recontouring and apically position flap (APF) and soft tissue conditioning (STC). REC was performed in the infra‐osseous compartment of combined defects. Implant survival rate was recorded. Clinical and radiographic parameters were evaluated to define a “dogmatic” (case definition #1) and a “flexible” (case definition #2) therapeutic success. Univariate and multivariate multilevel backward logistic regression were applied for statistical analysis.ResultsOverall, 43 patients (nimplants = 135) were retrospectively assessed. Mean observational period was ∼24 months. Implant survival rate was 97.8%, being significantly higher for APF, STC, and APF + STC (RES) when compared with REC (P = 0.01) therapy, in particular for advanced lesions (>50% of bone loss). The overall therapeutic success rate at implant‐level was 66% and 79.5% for case definition #1 and #2, respectively. APF group displayed more efficient disease resolution when considered success definition #1 (72%). Contrarily, when the data were adhered to success definition #2, STC group showed a slightly higher disease resolution rate (87%). For RES group, location, favoring anterior (P = 0.04) and defect type, favoring class II (P = 0.02) displayed statistical significance for therapeutic success. For REC group, implants exhibiting a wider band of keratinized mucosa (KM) demonstrated higher therapeutic success (P = 0.008).ConclusionImplantoplasty as an adjunct to surgical therapy proved effective in terms of disease resolution and implant survival rate. Implant location, defect morphology as well as the buccal width of KM are indicators of therapeutic success.
Mixed‐mode open tubular column for peptide separations by capillary electrochromatography
Authors: Ali Faiz , AlOthman Zeid A. , Al‐Shaalan Nora Hamad 
Published: April 2021

AbstractMixed‐mode chromatography open tubular column has been developed for peptide separation in electrochromatography. A column with 92 cm effective length and 50 μm internal diameter is fabricated internally with a copolymer sheet of restricted thickness. Catalyst facilitated binding of the coupling agent 3,5‐bis (trifluoromethyl) phenyl isocyanate has been carried out at the interior surface of the column. The initiator sodium diethyldithiocarbamate was bound to the coupling agent. A small amount ofN‐[2‐(acryloylamino) phenyl] acrylamide was used along with methacrylic acid and styrene in the monomer mixture to induce a little polar character in the stationary phase fabricated inside the column. Twenty‐three peptides have been separated from a chemically digested protein mixture present in cytochrome C in capillary electrochromatography, in addition to the separation of six commercial peptides. We achieved an average plate count of over 1.5 million/m with the column of current study both for the digested protein components and commercial peptides using 70/30% v/v (acetonitrile/20 mM ammonium formate) at pH 6.5. In addition, the column resulted in baseline separation of all the peptides with very good resolution, enhanced peak capacity, and better retention time span.
Automated delineation of orbital abscess depicted on CT scan using deep learning
Authors: Fu Roxana , Leader Joseph K. , Pradeep Tejus , Shi Junli , Meng Xin , Zhang Yanchun , Pu Jiantao 
Published: April 2021

ObjectivesTo develop and validate a deep learning algorithm to automatically detect and segment an orbital abscess depicted on computed tomography (CT).MethodsWe retrospectively collected orbital CT scans acquired on 67 pediatric subjects with a confirmed orbital abscess in the setting of infectious orbital cellulitis. A context‐aware convolutional neural network (CA‐CNN) was developed and trained to automatically segment orbital abscess. To reduce the requirement for a large dataset, transfer learning was used by leveraging a pre‐trained model for CT‐based lung segmentation. An ophthalmologist manually delineated orbital abscesses depicted on the CT images. The classical U‐Net and the CA‐CNN models with and without transfer learning were trained and tested on the collected dataset using the 10‐fold cross‐validation method. Dice coefficient, Jaccard index, and Hausdorff distance were used as performance metrics to assess the agreement between the computerized and manual segmentations.ResultsThe context‐aware U‐Net with transfer learning achieved an average Dice coefficient and Jaccard index of 0.78 ± 0.12 and 0.65 ± 0.13, which were consistently higher than the classical U‐Net or the context‐aware U‐Net without transfer learning (P < 0.01). The average differences of the abscess between the computerized results and the experts in terms of volume and Hausdorff distance were 0.10 ± 0.11 mL and 1.94 ± 1.21 mm, respectively. The context‐aware U‐Net detected all orbital abscess without false positives.ConclusionsThe deep learning solution demonstrated promising performance in detecting and segmenting orbital abscesses on CT images in strong agreement with a human observer.
Effects of Two Activated Milt Residence Times on Landlocked Fall Chinook Salmon Egg Survival to the Eyed Stage of Development
Authors: Stevens Jeff , Voorhees Jill M. , Huysman Nathan , Krebs Eric , Barnes Michael E. 
Published: April 2021

Abstract
During salmonid spawning, the amount of time required for activated milt to successfully fertilize eggs has not been well defined. This study examined the effects of two different activated milt residence times, 20 and 60 s, during production-scale artificial spawning of 20 landlocked fall Chinook Salmon Oncorhynchus tshawytscha. Mean (SE) survival to the eyed stage of egg development was 29.2% (5.5) in the eggs that were subjected to the 20-s milt residence time, which was not significantly different from the 32.3% (5.7) survival rate for eggs with the 60-s residence time. There was considerable variation in egg survival among the individual female spawns, ranging from near 0% to 76.7%. These production-scale results indicate that activated milt residence times as low as 20 s can be used during the landlocked fall Chinook Salmon spawning, with no significant effect on egg survival to the eyed stage of development.
E‐Replacement: Efficient scanner data collection method in P4‐based software‐defined networks
Authors: Cai Yun‐Zhan , Lin Ting‐Yu , Wang Yu‐Ting , Tuan Ya‐Pei , Tsai Meng‐Hsun 
Published: April 2021

SummaryInternet of things (IoT) botnets such as Mirai are rampant in the past years. Port scanning is a well‐known behavior of botnets for searching targets in networks. To detect port scanning, a detector requires network statistics with high discriminatory power. In P4‐based software‐defined network (SDN), switches take charge of recording characteristics about scanning behaviors, and controllers pull the statistics from the switches periodically for anomaly detection. Given storage resources in switches are limited, we proposed a scanner data collection method, 0‐Replacement, in P4‐based SDN to efficiently collect scanner data and improve the detection rate. 0‐Replacement, however, does not consider performance degradation caused by the hash collision. In this paper, we combine the conception of Hashpipe with 0‐Replacement and propose a new scanner data collection method named E‐Replacement. By leveraging the conception of Hashpipe, E‐Replacement can mitigate the performance degradation caused by the hash collision. Through simulations, we show that E‐Replacement improves the detection rate by up to 6.73% and 210.82% compared to 0‐Replacement and the traditional sample and hold method, respectively. Besides, E‐Replacement improves the precision by around 528.2% compared to the count‐min sketch and k‐ary sketch methods. The memory usage in E‐Replacement is the same as 0‐Replacement. In simulations, E‐Replacement can detect around 93.4% of scanners in a class B network with only 4.02‐Mb SRAM. After implementing E‐Replacement on a software P4 switch, BMv2, we observe the extra forwarding latency for E‐Replacement is not greater than a millisecond.