bluuebunny/crossref_metadata_2025_split huggingface dataset:
Developing Bright Green Fluorescent Protein (GFP)‐like Fluorogens for Live‐Cell Imaging with Nonpolar Protein−Chromophore Interactions
Authors: Chen Cheng , Tachibana Sean R. , Baleeva Nadezhda S. , Myasnyanko Ivan N. , Bogdanov Alexey M. , Gavrikov Alexey S. , Mishin Alexander S. , Malyshevskaya Kseniya K. , Baranov Mikhail S. , Fang Chong 
Published: May 2021

AbstractFluorescence‐activating proteins (FAPs) that bind a chromophore and activate its fluorescence have gained popularity in bioimaging. The fluorescence‐activating and absorption‐shifting tag (FAST) is a light‐weight FAP that enables fast reversible fluorogen binding, thus advancing multiplex and super‐resolution imaging. However, the rational design of FAST‐specific fluorogens with large fluorescence enhancement (FE) remains challenging. Herein, a new fluorogen directly engineered from green fluorescent protein (GFP) chromophore by a unique double‐donor‐one‐acceptor strategy, which exhibits an over 550‐fold FE upon FAST binding and a high extinction coefficient of approximately 100,000 M−1 cm−1, is reported. Correlation analysis of the excited state nonradiative decay rates and environmental factors reveal that the large FE is caused by nonpolar protein−fluorogen interactions. Our deep insights into structure‐function relationships could guide the rational design of bright fluorogens for live‐cell imaging with extended spectral properties such as redder emissions.
Cs4B4O3F10: First Fluorooxoborate with [BF4] Involving Heteroanionic Units and Extremely Low Melting Point
Authors: Xia Ming , Mutailipu Miriding , Li Fuming , Yang Zhihua , Pan Shilie 
Published: May 2021

AbstractHerein, a new congruently melting mixed‐anion compound Cs4B4O3F10 has been characterized as the first fluorooxoborate with [BF4] involving heteroanionic units. Compound Cs4B4O3F10 possesses two highly fluorinated anionic clusters and therefore its formula can be expressed as Cs3(B3O3F6) ⋅ Cs(BF4). The influence of [BF4] units on micro‐symmetry and structural evolution was discussed based on the parent compound. More importantly, Cs4B4O3F10 shows the lowest melting point among all the available borates and thus sets a new record for such system. This work is of great significance to enrich and tailor the structure of borates using perfluorinated [BF4] units.
A biomolecule chiral interface base on BSA for electrochemical recognition of amine enantiomers
Authors: Lu Qiuna , Chen Lei , Meng Qi , Jiang Yan , Xie Licheng 
Published: May 2021

AbstractA composite chiral interface (BSA‐MB‐MWCNTs) was prepared from bovine serum albumin (BSA), methylene blue (MB), and multi‐walled carbon nanotubes (MWCNTs) for chiral recognition of amine enantiomers (1S, 2S)‐N,N′‐dimethyl‐1,2‐cyclohexanediamine and (1R, 2R)‐N,N′‐dimethyl‐1,2‐cyclohexanediamine. The BSA‐based composite was characterized by field emission scanning electron microscopy (FESEM) and ultraviolet–visible spectroscopy (UV–Vis). The electrochemical responses towards the two enantiomers were analyzed via cyclic voltammetry (CV), electrochemical AC impedance method (EIS), and differential‐pulse voltammetry (DPV). The experimental results showed that the combination of MWCNTs and BSA could effectively improve the overall identification efficiency, and the peak current displayed by the S‐enantiomer is larger, indicating that the prepared chiral surface has stronger interaction with the R‐enantiomer. Under optimized condition, the current value of the oxidation peak of the chiral modified electrode showed a good linear relationship towards the amine concentration in the range of 5.0 × 10−3 to 5.0 × 10−5 mmol·L−1. The proposed electrochemical chiral interface is easy to handle and provides a promising electrochemical sensing platform that can be used to identify chiral amine enantiomers.
Estimation of linear, ring, and star polyethylene viscosity through proper orthogonal decomposition and Voronoi tessellation analysis of molecular dynamics data
Authors: Wong Chi Pui Jeremy , Choi Phillip 
Published: May 2021

AbstractWe carried out molecular dynamics (MD) simulations on polyethylene (PE) with linear, ring, and four‐arm symmetrical star structures at various molecular weights (420 − 5700 g ⋅ mol−1) and temperatures (410−450 K). We then analyzed the MD data using the technique of proper orthogonal decomposition (POD) to obtain the time correlation functions of different eigenmodes, thereby calculating the viscosity of the aforementioned macromolecules. The time correlation functions show that the ring and star PEs relax much faster than their linear counterpart. Free volume size distributions and the mean fractional free volume of the equilibrated PE melts were determined by Voronoi tessellation (VT). The mean fractional free volume and the corresponding effective pressure were then used to calculate viscosity using a polymer free volume theory recently developed in our lab. The POD and VT approaches yielded similar viscosity values. Furthermore, they both successfully predicted the crossover in the molecular weight dependence of viscosity. It is interesting to note that the difference in the free volume parameters (ϕ+ − F) of various structures always fall within the range of 0.02−0.06. Here, F and ϕ+ signify the probability of a bead having enough free volume for the activation of diffusive motion or momentum transfer and the minimum required fraction of such beads, respectively. The temperature dependence of viscosity as obtained from the POD and VT approaches gave comparable apparent activation energy () values of 5.8−6.4 and 5.4−6.4 kcal ⋅ mol−1, respectively, for the three structures.
Cyclic Dipeptide: A Privileged Molecular Scaffold to Derive Structural Diversity and Functional Utility
Authors: Balachandra Chenikkayala , Padhi Dikshaa , Govindaraju Thimmaiah 
Published: May 2021

AbstractCyclic dipeptides (CDPs) are the simplest form of cyclic peptides with a wide range of applications from therapeutics to biomaterials. CDP is a versatile molecular platform endowed with unique properties such as conformational rigidity, intermolecular interactions, structural diversification through chemical synthesis, bioavailability and biocompatibility. A variety of natural products with the CDP core exhibit anticancer, antifungal, antibacterial, and antiviral activities. The inherent bioactivities have inspired the development of synthetic analogues as drug candidates and drug delivery systems. CDP plays a crucial role as conformation and molecular assembly directing core in the design of molecular receptors, peptidomimetics and fabrication of functional material architectures. In recent years, CDP has rapidly become a privileged scaffold for the design of advanced drug candidates, drug delivery agents, bioimaging, and biomaterials to mitigate numerous disease conditions. This review describes the structural diversification and multifarious biomedical applications of the CDP scaffold, discusses challenges, and provides future directions for the emerging field.
Ketogenic diet treatment in diffuse intrinsic pontine glioma in children: Retrospective analysis of feasibility, safety, and survival data
Authors: Perez Alexandre , van der Louw Elles , Nathan Janak , El‐Ayadi Moatasem , Golay Hadrien , Korff Christian , Ansari Marc , Catsman‐Berrevoets Coriene , von Bueren Andre O. 
Published: May 2021

AbstractBackgroundDiffuse intrinsic pontine glioma (DIPG) is one of the most devastating diseases among children with cancer, thus novel strategies are urgently needed.AimsWe retrospectively evaluated DIPG patients exposed to the carbohydrate restricted ketogenic diet (KD) with regard of feasibility, safety, and overall survival (OS).Methods and resultsSearches of MEDLINE and Embase identified five hits meeting the search criteria (diagnosis of DIPG and exposure to KD). One additional case was identified by contact with experts. Individual patient data were extracted from publications or obtained from investigators. The inclusion criteria for analysis of the data were defined as DIPG patients who were exposed to the KD for ≥3 months. Feasibility, as described in the literature, was the number of patients able to follow the KD for 3 months out of all DIPG patients identified. OS was estimated by the Kaplan‐Meier method.Five DIPG patients (males, n = 3; median age 4.4 years; range, 2.5‐15 years) meeting the inclusion criteria were identified. Analysis of the available data suggested that the KD is generally relatively well tolerated. Only mild gastro‐intestinal complaints, one borderline hypoglycemia (2.4 mmol/L) and one hyperketosis (max 7.2 mmol/L) were observed. Five out of six DIPG patients identified adhered for ≥3 months (median KD duration, 6.5 months; range, 0.25‐2 years) to the diet. The median OS was 18.7 months.ConclusionOur study provides evidence that it may be feasible for pediatric DIPG patients to adhere for at least 3 months to KD. In particular cases, diet modifications were done. The clinical outcome and OS appear not to be impacted in a negative way. KD might be proposed as adjuvant therapy when large prospective studies have shown feasibility and safety. Future studies might ideally assess the impact of KD on clinical outcome, quality of life, and efficacy.
Recommendations for streamlining precision medicine in breast cancer care in Latin America
Authors: Alvarado‐Cabrero Isabel , Doimi Franco , Ortega Virginia , de Oliveira Lima Jurema Telles , Torres Rubén , Torregrosa Lilian 
Published: May 2021

AbstractBackgroundThe incidence of breast cancer (BC) in LMICs has increased by more than 20% within the last decade. In areas such as Latin America (LA), addressing BC at national levels evoke discussions surrounding fragmented care, limited resources, and regulatory barriers. Precision Medicine (PM), specifically companion diagnostics (CDx), links disease diagnosis and treatment for better patient outcomes. Thus, its application may aid in overcoming these barriers.Recent findingsA panel of LA experts in fields related to BC and PM were provided with a series of relevant questions to address prior to a multi‐day conference. Within this conference, each narrative was edited by the entire group, through numerous rounds of discussion until a consensus was achieved. The panel proposes specific, realistic recommendations for implementing CDx in BC in LA and other LMIC regions. In these recommendations, the authors strived to address all barriers to the widespread use and access mentioned previously within this manuscript.ConclusionThis manuscript provides a review of the current state of CDx for BC in LA. Of most importance, the panel proposes practical and actionable recommendations for the implementation of CDx throughout the Region in order to identify the right patient at the right time for the right treatment.
An in vivo comparison of wound healing characteristics of two commercial acellular dermal matrices
Authors: Couto Sophie R. , Luan Xianghong , Rossmann Jeffrey A. , Stenberg William V. , Yen Karen , Atwi Sarah , Svoboda Kathy K. 
Published: May 2021

AbstractObjectivesMany acellular dermal matrices (ADMs) are available for use in periodontal surgical procedures. However, few studies exist evaluating their in vivo healing properties. The objectives of this study were to compare the wound healing and remodeling of two ADMs used for gingival augmentation procedures in the rat model.Materials and methodsThis was a nonrandomized controlled split‐mouth study. Envelope flaps were surgically created in the maxillary quadrants of 24 Sprague Dawley rats. Each received either (a) AlloDerm Regenerative Tissue Matrix, or (b) OrACELL. Gingival tissue from one mandibular quadrant served as the untreated control. Six male and six female rats were treated for 7 or 21 days. Biopsies were processed for histologic analysis (H&E, Picro‐sirius red, Verhoeff's solution) or RNA analysis (RT‐PCR) to analyze the expression of type I collagen (Col1a1), fibronectin (Fn‐1) and VEGF‐A (Vegf‐A).ResultsThere was a greater density of fibroblasts in OrACELL compared to AlloDerm at both timepoints. There was a greater density of elastin present in AlloDerm compared to OrACELL at 7 days but no differences at 21 days. There were no differences between test groups in the percentage of birefringent collagen or in the expression of Vegf‐A or Fn‐1. At 7 days, there were significantly more fibroblasts for males in the OrACELL group compared to females. At 21 days, there was a significantly greater expression of Col1a1 for males in the OrACELL group compared to females.ConclusionsEarly wound healing and remodeling of OrACELL appeared to occur more rapidly than AlloDerm and was accelerated in male rats. Whether these results have clinical implications for soft tissue grafting procedures in humans remains to be determined.
Lightweight secure communication system based on Message Queuing Transport Telemetry protocol for e‐healthcare environments
Authors: Naresh Vankamamidi S. , Reddi Sivaranjani , Allavarpu V. V. L. Divakar 
Published: May 2021

SummaryIn recent years, with the advent of communication technologies, healthcare sensing and remote monitoring have undergone a significant evolution to addressing almost all current e‐health challenges. In view of this, the Internet of medical things (IoMT)‐based applications are evolved. However, security and privacy are the primary concern as vast numbers of devices are connected and communicated through the wireless environment. The direct involvement of humans in IoMT‐based healthcare applications made robust and secure communication among the sensors, actuators, and patients significant. In this direction, we proposed a novel security framework for Message Queuing Transport Telemetry (MQTT) protocol based on publish/subscribe messages, which is suitable for constrained and small devices in IoMT. In this paper, we proposed a lightweight hyper elliptic curve‐multiple shared key algorithm to derive session keys in order to encrypt/decrypt health readings from the sensors connected to the patient body. The comparative analysis of performance shows that the proposed method outperforms different existing techniques in terms of computational time by reducing the computational times of broker and producer/subscriber by 0.084 and 0.0168, respectively, than the best performed existing method (Malina et al.). Finally, the security analysis shows that the proposed framework is secure against physical attacks, key control, machine‐in‐the‐middle (MITM), non‐repudiation, replay, and naming based attacks.
Do children with recurrent abdominal pain grow up to become adolescents who control their weight by fasting? Results from a UK population‐based cohort
Authors: Stein Kate , Warne Naomi , Heron Jon , Zucker Nancy , Bould Helen 
Published: May 2021

AbstractObjectiveGastrointestinal (GI) problems are common in eating disorders, but it is unclear whether these problems predate the onset of disordered eating. Recurrent abdominal pain (RAP) is the most prevalent GI problem of childhood, and this study aimed to explore longitudinal associations between persistent RAP (at ages 7 and 9) and fasting for weight control at 16.MethodThe Avon Longitudinal Study of Parents and Children (ALSPAC) is a UK population cohort of children. Childhood RAP was reported by mothers and defined as RAP 5+ (5 pain episodes in the past year) in our primary analysis, and RAP 3+ (3 pain episodes) in our sensitivity analysis. Fasting for weight control was reported by adolescents at 16. We used logistic regression models to examine associations, with adjustments for potential confounders.ResultsAfter adjustments, we found no association between childhood RAP 5+ and adolescent fasting for weight control at 16 (OR 1.30 (95% Confidence Intervals [CI] 0.87, 1.94) p = .197). However, we did find an association between RAP 3+ and later fasting, in the fully adjusted model (OR 1.50 [95% CI 1.16, 1.94] p = .002), and after excluding those with pre‐existing anxiety (OR 1.52 [95% CI 1.17, 1.97] p = .002).DiscussionOur findings suggest a possible independent contribution of RAP to later risk of fasting for weight control, and RAP should be enquired about in the assessment of eating disorders. However, frequency of childhood abdominal pain (as captured by ALSPAC) may be less important to long‐term outcomes than functional impairment.
An open spatial capture–recapture model for estimating density, movement, and population dynamics from line‐transect surveys
Authors: Gowan Timothy A. , Crum Nathan J. , Roberts Jason J. 
Published: May 2021

AbstractThe purpose of many wildlife population studies is to estimate density, movement, or demographic parameters. Linking these parameters to covariates, such as habitat features, provides additional ecological insight and can be used to make predictions for management purposes. Line‐transect surveys, combined with distance sampling methods, are often used to estimate density at discrete points in time, whereas capture–recapture methods are used to estimate movement and other demographic parameters. Recently, open population spatial capture–recapture models have been developed, which simultaneously estimate density and demographic parameters, but have been made available only for data collected from a fixed array of detectors and have not incorporated the effects of habitat covariates. We developed a spatial capture–recapture model that can be applied to line‐transect survey data by modeling detection probability in a manner analogous to distance sampling. We extend this model to a) estimate demographic parameters using an open population framework and b) model variation in density and space use as a function of habitat covariates. The model is illustrated using simulated data and aerial line‐transect survey data for North Atlantic right whales in the southeastern United States, which also demonstrates the ability to integrate data from multiple survey platforms and accommodate differences between strata or demographic groups. When individuals detected from line‐transect surveys can be uniquely identified, our model can be used to simultaneously make inference on factors that influence spatial and temporal variation in density, movement, and population dynamics.
Multi‐scale mosaics in top‐down pest control by ants from natural coffee forests to plantations
Authors: Stüber Moritz , Tack Ayco J. M. , Zewdie Beyene , Mendesil Esayas , Shimales Tamiru , Ayalew Biruk , Nemomissa Sileshi , Sjögren Jörgen , Vesterinen Eero , Wezel Alexander , Hylander Kristoffer 
Published: May 2021

AbstractWhile top‐down control plays an important role in shaping both natural and agricultural food webs, we lack insights into how top‐down control effects vary across spatial scales. We used a multi‐scale survey of top‐down control of coffee pests and diseases by arboreal ants to examine if colony location creates a small‐scale mosaic in top‐down control around trees and if the strength of that control varies between sites at the landscape scale. We investigated pest and disease levels on coffee shrubs at different distances from shade trees with and without a Crematogaster spp. ant colony in 59 sites along a coffee management intensity gradient in southwestern Ethiopia. Within sites, ants significantly suppressed herbivory and coffee leaf rust at distances less than 10 m from nesting trees. Top‐down control varied between sites, with stronger top‐down control of free‐feeding herbivory near ant colonies at sites with lower management intensity and stronger top‐down control of a skeletonizer at sites with higher canopy cover. We conclude that the strength of top‐down control by ants is highly heterogeneous across spatial scales, as a consequence of the biology of the predator at the small scale and herbivore density or changes in herbivore–ant interactions at the landscape scale.
Nature‐Inspired Functional Chromophores from Biomimetic o‐Quinone Chemistry
Authors: Alfieri Maria Laura , Panzella Lucia , Crescenzi Orlando , Napolitano Alessandra , d'Ischia Marco 
Published: May 2021

AbstractA concise highlight of the main types of chromophoric systems obtained in the authors’ and other laboratories through biomimetic chemistry or synthetic manipulation of nature‐inspired o‐quinones is the primary focus of this Minireview. Following oxidative conversion of a variety of natural catechol substrates like DOPA, dopamine, 5‐S‐cysteinyldopa and caffeic acid, in the presence of suitable additives, a remarkable variety of chromophoric systems can be produced, which display specific optical and electronic properties, e. g. acidichromism, solvatochromism or strong emission upon excitation. Such properties can be tailored for specific applications through rational synthetic manipulations and/or fine‐tuning through non‐covalent and supramolecular interactions. Practical access routes to the reported o‐quinone‐derived chromophoric systems are illustrated along with the main prospective applications.
Electrochemical Behavior of Ce(IV)/Ce(III) Couple in N,N‐Di(2‐ethylhexyl)‐n‐butanamide (DEHBA), N,N‐Di(2‐ethylhexyl)‐iso‐butanamide (DEHiBA), and N,N‐Di(2‐ethylhexyl)‐3,3‐dimethyl Butanamide (DEHDMBA)
Authors: Amoudji Amivi Felicite , Arpigny Sylvie , Moisy Philippe , Bedioui Fethi 
Published: May 2021

AbstractIn this work we report on the electrochemical behavior of Ce(IV)/Ce(III) redox couple in pure N,N‐dialkyl amides (N,N‐DA), namely N,N‐di(2‐ethylhexyl)‐n‐butanamide (DEHBA), N,N‐di(2‐ethylhexyl)‐iso‐butanamide (DEHiBA), and N,N‐di(2‐ethylhexyl)‐3,3‐dimethyl butanamide (DEHDMBA) equilibrated with nitric aqueous solutions as an entry to the direct electrochemical characterization of plutonium in these extractants. Ce(IV)/Ce(III) redox process was used as a model. Its potential (E1/2≅1.02 V/SCE) is not affected by the temperature and the nature of the N,N‐DA and this clearly indicates that the functionalities of these extractants produce the same relative effect on both +IV and +III oxidation states of the cerium cation. Linear variations of the current intensity of the reduction peak of Ce(IV) with the concentration of Ce(IV)/N,N‐DAs/HNO3(5 M) solutions were obtained from cyclic voltammograms recorded at 25 °C and 40 °C. Due to the poor definition of the voltammograms in DEHiBA and DEHDMBA, such characterization allows only the evaluation of the performances of the chemical extraction of Ce(IV) from aqueous nitric acid solution by the undiluted DEHBA. To our knowledge, the electrochemical behavior of Ce(IV)/Ce(III) in N,N‐DAs was not previously studied and our findings will for sure open the door for further investigations in this field.
Microalgae separation by inertia‐enhanced pinched flow fractionation
Authors: Wang Saijie , Liu Zhijian , Wu Sen , Sun Hongyan , Zeng Wu , Wei Jintao , Fan Zixiao , Sui Zhuohang , Liu Liankun , Pan Xinxiang 
Published: May 2021

AbstractTo improve the accuracy and efficiency of ships’ ballast water detection, the separation of microalgae according to size is significant. In this article, a method to separate microalgae based on inertia‐enhanced pinched flow fractionation (iPFF) was reported. The method utilized the inertial lift force induced by flow to separate microalgae according to size continuously. The experimental results show that, as the Reynolds number increases, the separation effect becomes better at first, but then stays unchanged. The best separation effect can be obtained when the Reynolds number is 12.3. In addition, with the increase of the flow rate ratio between sheath fluid and microalgae mixture, the separation effect becomes better and the best separation effect can be obtained when the flow rate ratio reaches 10. In this case, the recovery rate of Tetraselmis sp. is about 90%, and the purity is about 86%; the recovery rate of Chlorella sp. is as high as 99%, and the purity is about 99%. After that, the separation effect keeps getting better but very slowly. In general, this study provides a simple method for the separation of microalgae with different sizes, and lays a foundation for the accurate detection of microalgae in the ballast water.