bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stability of Timoshenko systems with thermal coupling on the bending moment
Authors: Cardozo C. L. , Jorge Silva M. A. , Ma T. F. , Muñoz Rivera J. E. 
Published: October 2019

AbstractThe Timoshenko system is a distinguished coupled pair of differential equations arising in mathematical elasticity. In the case of constant coefficients, if a damping is added in only one of its equations, it is well‐known that exponential stability holds if and only if the wave speeds of both equations are equal. In the present paper we study both non‐homogeneous and homogeneous thermoelastic problems where the model's coefficients are non‐constant and constants, respectively. Our main stability results are proved by means of a unified approach that combines local estimates of the resolvent equation in the semigroup framework with a recent control‐observability analysis for static systems. Therefore, our results complement all those on the linear case provided in [22], by extending the methodology employed in [4] to the case of Timoshenko systems with thermal coupling on the bending moment.
Techno‐mechanical properties of cocoon, raw silk and filament of two mulberry silkworm (Bombyx mori L.) strains
Authors: Bajwa G.A. , Nawab Y. , Umair M. , Rizwan Z. 
Published: October 2019

AbstractNatural silk is considered as queen of textile due to its superior traits. This study was conducted to assess technical properties of cocoon, and raw silk and mechanical properties of silk filament produced by two mulberry silkworm strains. The Chinese strain (205PO) produced dry cocoon of 0.61±0.04 g with raw silk of 0.30±0.02 g and the Japanese strain (J101) produced dry cocoon of 0.49±0.01 g with raw silk of 0.23±0.00 g. The single filament length of 205PO and J101 was 1203.1±20.42 m cocoon−1 and 1082.3±48.95 m cocoon−1, respectively. The filament was finer in the Japanese silkworm strain (1.91±0.06 denier) compared to the Chinese silkworm strain (2.26±0.15 denier). The filament tenacity, tenacity rupture and strain of J101 was 6.24 %, 24.62 % and 4.42 % greater compared to 205PO. The tensile strength of 205PO was 11.82 % greater compared to J101. The filament diameter was 22.01±0.42 μm and 21.98±0.15 μm of 205PO and J101, respectively. Based on these findings, it is recommended that silkworm strains with superior techno‐mechanical properties may be included in breeding programmes for enhancing the quality of silk textile.
Impact of high‐velocity oxy‐fuel sprayed TiAlN surface coating on mechanical and slurry erosion performance of aluminium alloys
Authors: Kiragi V.R. , Patnaik A. , Singh T. 
Published: October 2019

AbstractTiAlN coatings were deposited on AA1050 and AA5083 aluminium alloys by high‐velocity oxy‐fuel (HVOF) spray process and evaluated for their mechanical and slurry erosion performance. In comparison to base alloys, the mechanical properties were found to enhance upon coating. The effect of working parameters namely impingement angle, impact velocity, erodent size and erodent feed rate on the slurry erosion wear rate has been investigated. The slurry erosion wear rate of the uncoated samples was found to decrease with an increase in the impingement angle whereas for coated samples the slurry erosion wear rate first increased, reached to a maximum value at 60° and then decreased with further increase in the impingement angle. For uncoated and coated samples the slurry erosion wear rate was found to increase with an increase in impact velocity, erodent size and erodent feed rate. Finally, the morphology of the eroded surfaces was analyzed using scanning electron microscopy and the possible erosion mechanisms have been studied.
Production and investigation of the wear behavior of inductively melted hardpaint coatings
Authors: Schwarz P. , Deuerler F. , Weber S. 
Published: October 2019

AbstractReibungs‐ und Verschleißprozesse erzeugen in der industriellen Produktion jährlich einen signifikanten wirtschaftlichen Schaden durch Instandhaltungs‐ und Instandsetzungskosten sowie durch Produktionsstillstand. Verschleißbeständige Beschichtungen stellen eine Maßnahme zur Reduzierung von Verschleiß dar. In diesem Zusammenhang wird in dieser Arbeit das neuartige Hardpaint‐Verfahren einer flüssigauftragbaren Einbrennbeschichtung beschrieben. Prinzipbedingt lassen sich sowohl Bauteile mit komplexen Geometrien als auch Bohrungen oder Hinterschneidungen einfach und kostengünstig beschichten. Es werden zwei Schutzschichten thematisiert und hinsichtlich ihrer Mikrostruktur charakterisiert. Dazu wurden Dichtemessungen, Härteprüfungen und rasterelektronenmikroskopische Untersuchungen durchgeführt. Beide Pulverschichten wurden nach dem Auftragen induktiv eingeschmolzen und basieren auf einer Hartlegierung (Eisen‐Basis), die üblicherweise zum Plasma‐Pulver‐Auftragsschweißen verwendet wird. Die Verschleißbeständigkeit gegenüber Abrasion wird basierend auf den durchgeführten Verschleißuntersuchungen und der vorliegenden Mikrostruktur bewertet. Die Ergebnisse werden vergleichend mit einem martensitisch gehärteten Feinkornstahl (Hardox 450), der üblicherweise in abrasiv beanspruchten Bereichen verwendet wird, diskutiert. Gegenüber Hardox 450 weisen beide Hardpaint‐Beschichtungen aufgrund der ausgebildeten harten Phasen ein deutlich verschleißbeständigeres Verhalten auf. Darüber hinaus konnte die erfolgreiche Einbettung von thermisch sensiblen Wolframschmelzkarbiden mittels des Hardpaint‐Verfahrens belegt und hierdurch der Verschleißwiderstand gegen Abrasion signifikant erhöht werden.
High coding capacity chipless radiofrequency identification tags
Authors: Abdulkawi Wazie M. , Sheta Abdelfattah A. 
Published: October 2019

AbstractA novel tristate coupled line microstrip resonator is proposed for compact chipless radiofrequency identification tags. The proposed resonator can be reconfigured to present one of the three possible states: 00, 10, and 01, which denote no resonance, resonance at f1, and resonance at f2, respectively. The resonator can be designed with f1 and f2 at appropriate positions, reducing the required spectrum. A multiresonator prototype consisting of 14 elements of the proposed resonator is designed, analyzed, and experimentally characterized. This prototype is implemented on an RT Duroid 5880 substrate with a dielectric constant of 2.2 and a thickness of 0.78 mm. The prototype can be reconfigured for 314 codes. A test‐bench comprising six resonators and transmitting and receiving wideband antennas is established and used to experimentally characterize a prototype tag. The experimental results exhibit good agreement with the simulation.
The dynamics of gene expression during and post meiosis sets the sperm agenda
Authors: Pandey Aastha , Yadav Santosh Kumar , Vishvkarma Rahul , Singh Bineta , Maikhuri Jagdamba P. , Rajender Singh , Gupta Gopal 
Published: October 2019

AbstractMeiosis is the defining event of spermatogenesis. Spermatocytes undergo meiosis to give rise to round spermatids, which in turn metamorphose to flagellated spermatozoa that mature in the epididymis. To characterize the dynamics of gene expression during these important stages of spermatogenesis, we undertook transcriptome analysis in >90% pure pachytene spermatocytes and round spermatids, and pure mature sperm of rat by massive parallel deep sequencing. The study has identified 10,719 total transcripts expressed in meiotic and postmeiotic cells, out of which 7,641 were present in all the three cell types. Most abundant transcripts were related to gametogenesis in spermatocytes and spermatids, and mitochondrial energy metabolism in sperm. Importantly, 108 transcripts were specific to spermatocytes, including Cpeb2, Dpf3, H2afy, Haus7, Plcb1, Taf9, and Tdrd7 strongly linked with meiosis. Similarly, 323 transcripts unique to round spermatids included Arpc5, Apoa1, Cntrob, Dcaf17, Ift88, and Ly6k that play essential roles in spermiogenesis. Likewise, 178 transcripts unique to sperm included Camta1, Hoxb1, and Prdx6 having assigned roles in fertility and/or embryonic development. Levels of ~16% transcripts declined from spermatocytes to sperm while two (Cd300e and Ddx17) increased. New candidate genes with possible roles in meiosis (91), spermiogenesis (298), and sperm function (171), have been identified. This study has provided new potential targets for contraception and/or treatment of male infertility. (CDRI communication number 9889).
Impact of disuse muscular atrophy on the compound muscle action potential
Authors: Mobach Theo , Brooks John , Breiner Ari , Warman‐Chardon Jodi , Papp Steven , Gammon Braden , Nandedkar Sanjeev D. , Bourque Pierre R. 
Published: October 2019

AbstractBackgroundDisuse atrophy from immobilization is the result of decreased neural activity and muscle unloading.MethodsWe studied the impact of disuse on hand intrinsic compound muscle action potentials (CMAPs) in a cohort of 39 patients with unilateral 6‐week immobilization of the hand in a cast, after distal radius fracture. We excluded patients with nerve injury. We compared side‐to‐side CMAP characteristics at the time of cast removal and at a subsequent follow‐up visit, after a mean interval of 7.8 weeks.ResultsStatistically significant reductions in CMAP amplitude were noted for the abductor pollicis brevis (29.2%), abductor digiti minimi (19.0%), and first dorsal interosseus (24.9%). There was partial repair of the relative CMAP reduction at the follow‐up visit (20.1%, 10.7%, and 8.7%, respectively). There was no significant change in CMAP duration.ConclusionsThese results provide a framework for quantifying the degree of hand intrinsic CMAP amplitude reduction attributed to disuse.
An ESIPT‐Based Ratiometric Fluorescent Probe for Highly Sensitive and Rapid Detection of Sulfite in Living Cells
Authors: Liu Yupeng , Ren Tian‐Bing , Cheng Dan , Hou Jianing , Su Dongdong , Yuan Lin 
Published: October 2019

AbstractThe novel ratiometric fluorescent probe HPQRB with an ESIPT effect based on Michael addition for highly sensitive and fast detection of sulfite in living HepG2 cells is reported. HPQRB can be easily synthesized by a two‐step condensation reaction. HPQRB has a large emission shift (Δλ=116 nm), which is beneficial for fluorescence imaging research, and its sulfite‐responsive site is based on a rhodamine‐like structure with the emission peak at 566 nm, which decreases with increasing sulfite concentration. and its HPQ structure always has an ESIPT effect throughout the reaction process, keeping the emission peak at 450 nm as a self‐reference. In particular, HPQRB has high selectivity for sulfite and responds quickly (within 30 s) with a low detection limit (44 nM). Furthermore, HPQRB has been successfully used for fluorescence imaging of sulfite in HepG2 cells, demonstrating the superior ability to detect sulfite under physiological conditions.
Recent developments in deep learning applied to protein structure prediction
Authors: Kandathil Shaun M. , Greener Joe G. , Jones David T. 
Published: October 2019

AbstractAlthough many structural bioinformatics tools have been using neural network models for a long time, deep neural network (DNN) models have attracted considerable interest in recent years. Methods employing DNNs have had a significant impact in recent CASP experiments, notably in CASP12 and especially CASP13. In this article, we offer a brief introduction to some of the key principles and properties of DNN models and discuss why they are naturally suited to certain problems in structural bioinformatics. We also briefly discuss methodological improvements that have enabled these successes. Using the contact prediction task as an example, we also speculate why DNN models are able to produce reasonably accurate predictions even in the absence of many homologues for a given target sequence, a result that can at first glance appear surprising given the lack of input information. We end on some thoughts about how and why these types of models can be so effective, as well as a discussion on potential pitfalls.
The unusual conformation of cross‐strand disulfide bonds is critical to the stability of β‐hairpin peptides
Authors: Deplazes Evelyne , Chin Yanni K.‐Y. , King Glenn F. , Mancera Ricardo L. 
Published: October 2019

AbstractThe cross‐strand disulfides (CSDs) found in β‐hairpin antimicrobial peptides (β‐AMPs) show a unique disulfide geometry that is characterized by unusual torsion angles and a short Cα‐Cα distance. While the sequence and disulfide bond connectivity of disulfide‐rich peptides is well studied, much less is known about the disulfide geometry found in CSDs and their role in the stability of β‐AMPs. To address this, we solved the nuclear magnetic resonance (NMR) structure of the β‐AMP gomesin (Gm) at 278, 298, and 310 K, examined the disulfide bond geometry of over 800 disulfide‐rich peptides, and carried out extensive molecular dynamics (MD) simulation of the peptides Gm and protegrin. The NMR data suggests Cα‐Cα distances characteristic for CSDs are independent of temperature. Analysis of disulfide‐rich peptides from the Protein Data Bank revealed that right‐handed and left‐handed rotamers are equally likely in CSDs. The previously reported preference for right‐handed rotamers was likely biased by restricting the analysis to peptides and proteins solved using X‐ray crystallography. Furthermore, data from MD simulations showed that the short Cα‐Cα distance is critical for the stability of these peptides. The unique disulfide geometry of CSDs poses a challenge to biomolecular force fields and to retain the stability of β‐hairpin fold over long simulation times, restraints on the torsion angles might be required.
Molecular basis of drug resistance in smoothened receptor: An in silico study of protein resistivity and specificity
Authors: Sinha Noopur , Chowdhury Saikat , Sarkar Ram Rup 
Published: October 2019

AbstractSmoothened (SMO) antagonist Vismodegib effectively inhibits the Hedgehog pathway in proliferating cancer cells. In early stage of treatment, Vismodegib exhibited promising outcomes to regress the tumors cells, but ultimately relapsed due to the drug resistive mutations in SMO mostly occurring before (primary mutations G497W) or after (acquired mutations D473H/Y) anti‐SMO therapy. This study investigates the unprecedented insights of structural and functional mechanism hindering the binding of Vismodegib with sensitive and resistant mutant variants of SMO (SMOMut). Along with the basic dynamic understanding of Vismodegib‐SMO complexes, network propagation theory based on heat diffusion principles is first time applied here to identify the modules of residues influenced by the individual mutations. The allosteric modulation by GLY497 residue in Vismodegib bound SMO wild‐type (SMOWT) conformation depicts the interconnections of intermediate residues of SMO with the atom of Vismodegib and identify two important motifs (E‐X‐P‐L) and (Q‐A‐N‐V‐T‐I‐G) mediating this allosteric regulation. In this study a novel computational framework based on the heat diffusion principle is also developed, which identify significant residues of allosteric site causing drug resistivity in SMOMut. This framework could also be useful for assessing the potential allosteric sites of different other proteins. Moreover, previously reported novel inhibitor “ZINC12368305,” which is proven to make an energetically favorable complex with SMOWT is chosen as a control sample to assess the impact of receptor mutation on its binding and subsequently identify the important factors that govern binding disparity between Vismodegib and ZINC12368305 bound SMOWT/Mut conformations.
Protonation state of the selectivity filter of bacterial voltage‐gated sodium channels is modulated by ions
Authors: Damjanovic Ana , Chen Ada Y. , Rosenberg Robert L. , Roe Daniel R. , Wu Xiongwu , Brooks Bernard R. 
Published: October 2019

AbstractThe selectivity filter (SF) of bacterial voltage‐gated sodium channels consists of four glutamate residues arranged in a C4 symmetry. The protonation state population of this tetrad is unclear. To address this question, we simulate the pore domain of bacterial voltage‐gated sodium channel of Magnetococcus sp. (NavMs) through constant pH methodology in explicit solvent and free energy perturbation calculations. We find that at physiological pH the fully deprotonated as well as singly and doubly protonated states of the SF appear feasible, and that the calculated pKa decreases with each additional bound ion, suggesting that a decrease in the number of ions in the pore can lead to protonation of the SF. Previous molecular dynamics simulations have suggested that protonation can lead to a decrease in the conductance, but no pKa calculations were performed. We confirm a decreased ionic population of the pore with protonation, and also observe structural symmetry breaking triggered by protonation; the SF of the deprotonated channel is closest to the C4 symmetry observed in crystal structures of the open state, while the SF of protonated states display greater levels of asymmetry which could lead to transition to the inactivated state which possesses a C2 symmetry in the crystal structure. We speculate that the decrease in the number of ions near the mouth of the channel, due to either random fluctuations or ion depletion due to conduction, could be a self‐regulatory mechanism resulting in a nonconducting state that functionally resembles inactivated states.
All‐atom molecular dynamics simulations reveal how kinesin transits from one‐head‐bound to two‐heads‐bound state
Authors: Shi Xiao‐Xuan , Guo Si‐Kao , Wang Peng‐Ye , Chen Hong , Xie Ping 
Published: October 2019

AbstractKinesin dimer walks processively along a microtubule (MT) protofilament in a hand‐over‐hand manner, transiting alternately between one‐head‐bound (1HB) and two‐heads‐bound (2HB) states. In 1HB state, one head bound by adenosine diphosphate (ADP) is detached from MT and the other head is bound to MT. Here, using all‐atom molecular dynamics simulations we determined the position and orientation of the detached ADP‐head relative to the MT‐bound head in 1HB state. We showed that in 1HB state when the MT‐bound head is in ADP or nucleotide‐free state, with its neck linker being undocked, the detached ADP‐head and the MT‐bound head have the high binding energy, and after adenosine triphosphate (ATP) binds to the MT‐bound head, with its neck linker being docked, the binding energy between the two heads is reduced greatly. These results reveal how the kinesin dimer retains 1HB state before ATP binding and how the dimer transits from 1HB to 2HB state after ATP binding. Key residues involved in the head‐head interaction in 1HB state were identified.
Reflectivity and velocity radar data assimilation for two flash flood events in central Italy: A comparison between 3D and 4D variational methods
Authors: Mazzarella V. , Maiello I. , Ferretti R. , Capozzi V. , Picciotti E. , Alberoni P. P. , Marzano F. S. , Budillon G. 
Published: October 2019

AbstractThe aim of this study is to provide an evaluation of the impact of two largely used data assimilation techniques, namely three‐ and four‐dimensional variational data assimilation systems (3D‐Var and 4D‐Var), on the forecasting of heavy precipitation events using the Weather Research and Forecasting (WRF) model. For this purpose, two flash flood events in central Italy are analysed. The first occurred on September 14, 2012 during an Intensive Observation Period of the Hydrological cycle in the Mediterranean experiment (HyMeX) campaign, while the other occurred on May 3, 2018. Radial velocity and reflectivity acquired by C‐band weather radars at Mt. Midia (central Italy) and San Pietro Capofiume (northern Italy), as well as conventional observations (SYNOP and TEMP), are assimilated into the WRF model to simulate these damaging flash flood events. In order to evaluate the impact of the 3D‐Var and 4D‐Var assimilation systems on the estimation of short‐term quantitative precipitation forecasts, several experiments are carried out using conventional observations with and without radar data. Rainfall evaluation is performed by means of point‐by‐point and filtering methodologies. The results point to a positive impact of the 4D‐Var technique compared to results without assimilation and with 3D‐Var experiments. More specifically, the 4D‐Var system produces an increase of up to 22% in terms of the Fractions Skill Score compared to 3D‐Var for the first flash flood event, while an increase of about 5% is achieved for the second event. The use of a warm start initialization results in a considerable reduction in the spin‐up time and a significant improvement in the rainfall forecast, suggesting that the initial precipitation spin‐up problem still occurs when using 4D‐Var.
A new statistical early outbreak detection method for biosurveillance and performance comparisons
Authors: Cengiz Ünal , Karahasan Mehmet 
Published: October 2019

Biosurveillance for rapid detection of epidemics of diseases is a challenging area of endeavor in many respects. Hence, this area is in need of development of methodology and opens to novel methods of detection. In this study, a new simple statistical early outbreak detection approach is proposed to detect outbreaks of diseases in real time. The new approach is called LWMAT since it is based on linearly weighted moving average. Furthermore, it does not require a long baseline and partly takes into account of likely features of biosurveillance data such as nonstationary and overdispersion to some extent. Moreover, this newly proposed method is easily adapted to automated use in public health surveillance systems to monitor simultaneously large number time series of indicators associated with the relevant diseases.To compare the performance of the new method with those of some well‐known outbreak detection methods, semisynthetic data with outbreaks of various magnitudes and durations are simulated by considering the weekly number of outpatient visits for influenza‐like illness for the influenza seasons 2014‐2015 through 2017‐2018 at Centers for Disease Control and Prevention (CDC) in the United States. Under the conditions of the simulation studies, Serfling regression and Farrington flexible seem to be preferable methods for monitoring the weekly influenza data at CDC in terms of early identification of influenza outbreaks with a high probability. In addition, the newly proposed LWMAT‐type methods appear to be promising and useful methods in the case of small magnitude outbreaks with a short duration.
Novel Pyrazolo[3,4‐d]pyrimidine‐Containing Amide Derivatives: Synthesis, Molecular Docking, In Vitro and In Vivo Antidiabetic Activity
Authors: Reddy Bijivemula N. , Ruddarraju Radhakrishnam Raju. , Kiran Gangarapu. , Pathak Madhvesh , Reddy Anreddy Rama Narsimha 
Published: October 2019

AbstractA new series of Pyrazolo[3,4‐d]pyrimidine containing amide derivatives (8 a‐l) were designed, synthesized, and evaluated for their in vitro α‐amylase inhibitory activity. The IC50values of the target compounds ranged from 1.60±0.48 to 2.04±1.20 μM as compared to the standard acarbose 1.73±0.05 μM. All the Pyrazolo[3,4‐d]pyrimidine amide derivatives displayed good inhibitory activities, while seven analogs (8 d,8 f,8 g,8 h,8 i,8 jand8 k)exhibited more or less equipotent activity with IC50values 1.77±2.84, 1.65±0.45, 1.66±2.24, 1.73±0.37, 1.60±0.48, 1.75±0.36 and 1.64±0.03 μM respectively. Further, the most potent α‐amylase inhibitors8 dand8 kwere also screened for their in vivo antidiabetic activity against alloxan induced diabetic rat model at the dose of 25 and 50 mg/kg. Oral administration of these tested compounds significantly reduced the fasting blood glucose levels in dose dependent manner. The hypoglycemic effects of these compounds were more evident at 3 h and 5 h after administration of tested compounds which was similar to the effect displayed by the positive control. In addition, the binding energies calculated from the docking studies with the α‐amylase enzyme (PDB ID: 1HNY) and biological activities indicate that the compounds containing nitro moiety on the phenyl group contributed significantly towards the antidiabetic activity.