bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure determination of an amorphous drug through large-scale NMR predictions
Authors: Cordova Manuel , Balodis Martins , Hofstetter Albert , Paruzzo Federico , Nilsson Lill Sten O. , Eriksson Emma S. E. , Berruyer Pierrick , Simões de Almeida Bruno , Quayle Michael J. , Norberg Stefan T. , Svensk Ankarberg Anna , Schantz Staffan , Emsley Lyndon 
Published: May 2021

AbstractKnowledge of the structure of amorphous solids can direct, for example, the optimization of pharmaceutical formulations, but atomic-level structure determination in amorphous molecular solids has so far not been possible. Solid-state nuclear magnetic resonance (NMR) is among the most popular methods to characterize amorphous materials, and molecular dynamics (MD) simulations can help describe the structure of disordered materials. However, directly relating MD to NMR experiments in molecular solids has been out of reach until now because of the large size of these simulations. Here, using a machine learning model of chemical shifts, we determine the atomic-level structure of the hydrated amorphous drug AZD5718 by combining dynamic nuclear polarization-enhanced solid-state NMR experiments with predicted chemical shifts for MD simulations of large systems. From these amorphous structures we then identify H-bonding motifs and relate them to local intermolecular complex formation energies.
USP18 positively regulates innate antiviral immunity by promoting K63-linked polyubiquitination of MAVS
Authors: Hou Jinxiu , Han Lulu , Zhao Ze , Liu Huiqing , Zhang Lei , Ma Chunhong , Yi Fan , Liu Bingyu , Zheng Yi , Gao Chengjiang 
Published: May 2021

AbstractActivation of MAVS, an adaptor molecule in Rig-I-like receptor (RLR) signaling, is indispensable for antiviral immunity, yet the molecular mechanisms modulating MAVS activation are not completely understood. Ubiquitination has a central function in regulating the activity of MAVS. Here, we demonstrate that a mitochondria-localized deubiquitinase USP18 specifically interacts with MAVS, promotes K63-linked polyubiquitination and subsequent aggregation of MAVS. USP18 upregulates the expression and production of type I interferon following infection with Sendai virus (SeV) or Encephalomyocarditis virus (EMCV). Mice with a deficiency of USP18 are more susceptible to RNA virus infection. USP18 functions as a scaffold protein to facilitate the re-localization of TRIM31 and enhances the interaction between TRIM31 and MAVS in mitochondria. Our results indicate that USP18 functions as a post-translational modulator of MAVS-mediated antiviral signaling.
Novel dual‐mode filters implemented by quarter mode folded substrate integrated waveguide
Authors: Yang Ling , Xu Feng , Liu Qing , Qiang Jingxia , Zhan Junlin 
Published: May 2021

AbstractTwo dual‐mode filters implemented by folded substrate integrated waveguide (FSIW) are proposed here. The high order modes (TE103 and TE301) in the FSIW cavity are employed to realize the function of filters. The non‐resonating node TE202 mode is employed in the first filter to realize the transmission zero below the passband. A metal pin and an L‐shaped slot are used in another dual‐mode filter to restrict the parasitic mode, TE202 mode. The proposed FSIW dual‐mode filters with simple structures exhibit compact size and good frequency selectivity. As per knowledge, it is the first time that the quarter mode FSIW (QMFSIW) cavities are utilized to design the multimode filters. The measured results agree well with the simulated ones, which validates the feasibility of the compact dual‐mode filters based on the technology of double‐layered FSIW.
3D‐printed ceramics with engineered anisotropy for dielectric resonator antenna applications
Authors: Morales C. D. , Morlaas C. , Chabory A. , Pascaud R. , Grzeskowiak M. , Mazingue G. 
Published: May 2021

AbstractIn this letter, we study the design of three‐dimensional (3D)‐printed ceramics exhibiting anisotropic dielectric permittivities at microwave frequencies for dielectric resonator antenna (DRA) applications. The anisotropy is engineered by using periodic structures made up of subwavelength asymmetric unit cells filled with zirconia and air. Ceramic samples with uniaxial anisotropy are designed, 3D‐printed, and measured. Birefringence up to 8 is achieved by controlling the volume fill rate of the unit cell. Besides, a single‐fed circularly polarised (CP) DRA that relies on a 3‐D‐printed uniaxial anisotropic ceramic is proposed in the 2.45 GHz ISM band. Its simulated and measured reflection coefficient, axial ratio, and realised gain patterns are in good agreement, thus demonstrating the possibility of exploiting 3‐D‐printed anisotropic ceramics for DRA applications.
Serial data transmission at 224 Gbit/s applying directly modulated 850 and 910 nm VCSELs
Authors: Ledentsov N. , Chorchos Ł. , Makarov O. Yu. , Shchukin V. A. , Kalosha V. P. , Kropp J.‐R. , Turkiewicz J. P. , Kottke C. , Jungnickel V. , Freund R. , Ledentsov N. N. 
Published: May 2021

AbstractHigh‐speed discrete multitone serial data transmission over multi‐mode fibre at gross data rates up to 224 Gbit/s achieved with directly modulated oxide‐confined vertical cavity surface emitting lasers at 850 and 910 nm are presented.
Identification of malnutrition and prediction of BMI from facial images using real‐time image processing and machine learning
Authors: C Dhanamjayulu , N Nizhal U , Maddikunta Praveen Kumar Reddy , Gadekallu Thippa Reddy , Iwendi Celestine , Wei Chuliang , Xin Qin 
Published: May 2021

AbstractHuman faces contain useful information that can be used in the identification of age, gender, weight etc. Among these biometrics, body mass index (BMI) and body weight are good indicators of a healthy person. Motivated by the recent health science studies, this work investigates ways to identify malnutrition affected people and obese people by analyzing body weight and BMI from facial images by proposing a regression method based on the 50‐layers Residual network architecture. For face detection, Multi‐task Cascaded Convolutional Neural Networks have been employed. A system is created to evaluate BMI along with age and gender from human facial real‐time images. Malnutrition and obesity are commonly determined with the help of BMI. In the previous works, height, weight, and BMI estimation through automatic means have predominantly focused on full‐body images and videos of humans. The usage of facial images for estimating such traits have been given less importance. In order to facilitate the analysis, the dataset is cleaned along with metadata containing information about the persons height, weight, age, and gender. Gender‐based analysis is performed for the prediction of BMI. Finally, an email containing the persons picture along with their details is sent to the concerned health officer.
A fuzzy spectral clustering algorithm for hyperspectral image classification
Authors: Li Kang , Xu Jindong , Zhao Tianyu , Liu Zhaowei 
Published: May 2021

AbstractSpectral clustering is an unsupervised clustering algorithm, and is widely used in the field of pattern recognition and computer vision due to its good clustering performance. However, the traditional spectral clustering algorithm is not suitable for large‐scale data classification, such as hyperspectral remote sensing image, because of its high computational complexity, and it is difficult to characterize the inherent uncertainty of the hyperspectral remote sensing image. This paper uses fuzzy anchors to process hyperspectral image classification and proposes a novel spectral clustering algorithm based on fuzzy similarity measure. The proposed algorithm utilizes the fuzzy similarity measure to obtain the similarity between the data points and the anchors, and then gets the similarity matrix. Finally, spectral clustering is performed on the similarity matrix to compute the classification results. The experimental results on the hyperspectral remote sensing image data sets have demonstrated the effectiveness of the proposed algorithm, and the introduction of fuzzy similarity measure gives rise to a more robust similarity matrix. Compared with existing methods, the proposed algorithm has a better classification result on the hyperspectral remote sensing image, and the kappa coefficient obtained by the proposed algorithm is 2% higher than the traditional algorithms.
Service quality evaluation of bus lines based on improved momentum back‐propagation neural network model: A study of Hangzhou in China
Authors: Li Peiqing , Zhang Shunfeng , Zhong Biqiang , Wu Jin , Zhang Hao , Chen Yikai , Fu Yang , Wang Qibing , Li Qipeng 
Published: May 2021

AbstractThis study was focused on Hangzhou in China that are undergoing large‐scale subway construction, and an improved momentum back‐propagation (BP) neural network model was trained. The model can analyze the complex traffic data, evaluate the service quality of bus line, and improve the estimation accuracy and convergence speed. For the same training data set, the convergence time of the BP algorithm with momentum term is reduced by 0.043 secs, the iterative convergence speed is improved by 0.66%, and the estimation accuracy is improved by 26.7% compared with the standard BP algorithm. Under similar conditions, the convergence time is 1.562 secs less than that of the standard BP algorithm, and the convergence speed was 24.1% higher than that of the standard BP algorithm, and the absolute value of the estimated error was less than 1%. Finally, a representative bus line in Hangzhou was used as an example to evaluate the model. The results showed that the improved momentum BP neural network model had a faster convergence speed and higher prediction accuracy of the comprehensive weight of bus line service quality. The prediction results of the model are consistent with the actual survey results, which indicates that the model constructed is reasonable.
Influence of enzyme preparations on the growth and development of Ross-308 cross meat chickens
Authors: Vakhidova Dilbar , Fayzildinov Akmalkhuja , Donaev Khusniddin 
Published: May 2021

The studies were carried out in 2017-2018 in the poultry farm of OJSC JV firm “Virtech-Agro” (joint American-Russian-Uzbek enterprise), which is located in the Zangiata district of the Tashkent region, 25 km from the city of Tashkent, Uzbekistan.	As a result, the characteristics of broiler chickens of the Ross-308 cross, technical conditions of use and characteristics of flavomycin, its effect on the growth of chickens and on the quality of feed during long-term storage, the effect on the digestive process and pathogenic microflora in Uzbekistan were studied. The results obtained show that the use of these components shortens the broiler rearing period from 38 to 42 days, increases weight gain, improves the meat quality of chickens, reduces feed costs and, at the same time, reduces labor costs for workers.
Effects of biopraparites on cynara scolymus L., micro and macroelements, and quantity of flavonoids
Authors: Sobirova Mukaddas , Murodova Sayyora 
Published: May 2021

Abstact.
In this study, the effect of “Zamin-M” biopreparation on the content of some macronutrients, microelements and flavonoids in the leaf extract of thorny artichoke (Cynara scolymus L) belonging to the family Asteraceae was determined by 4 different factors: control, mineral fertilizer, biopreparation, biopreparation study and mineral fertilizer. The order of decreasing the concentration of macro-microelements in the control variant changed for K>Na> Ca>Mg>P and Fe>Si>Al>Mn>Zn>Cu>Se>Co. In plants treated with “Zamin-M” biopreparation, changes in Ca>Na>Mg>K>P and Fe>Al>Si >Mn>Zn>Cu>Co>Se were found. When determining the effect of Zamin-M biopreparation on the flavonoids in artichoke leaves, it was noted that the amount of quercetin in plants increased by 93.05% compared to plants treated with mineral fertilizers. The amount of rutin was increased by 54.94% in plants treated with “Zamin-M”, it was 57.55% in plants treated with mineral fertilizers, and it was 59.60% in plants treated with mineral fertilizers + “Zamin-M” biopreparation.
Psychometrische Evaluation einer deutschen Version der Lang- und Kurzform der Prejudice towards People with Mental Illness Scale (PPMI-D)
Authors: Sander Christian , Rieckhof Sophia , Peter Lina-Jolien , Horsfield Philipp , Speerforck Sven , Angermeyer Matthias C. , Schomerus Georg 
Published: May 2021

Zusammenfassung
Ziel der Studie Vorstellung einer deutschen Version der Prejudice towards People with Mental Illness Scale in Lang- (PPMI-DL) und Kurzform (PPMI-DK) und psychometrische Evaluierung an einer deutschen Bevölkerungsstichprobe.
Methodik Deutsche Übersetzung und Überprüfung auf Passung zur Originalversion nach Rückübersetzung und Durchführung einer Online-Befragung (N = 1004).
Ergebnisse Itemschwierigkeiten und Trennschärfen liegen im wünschenswerten mittleren Bereich. Hohe bis exzellente interne Konsistenzen (PPMI-DL: α = 0,919; PPMI-DK: α = 0,872) in der Gesamtskala. Mittels konfirmatorischer Faktoranalysen konnten die 4 Subskalen der Originalskala bestätigt werden. Mittlere Korrelationen mit autoritären Einstellungen (KSA-3) und gering negative Zusammenhänge mit Sozialer Erwünschtheit (KSE-G). Normwerte für die PPMI-Subskalen werden berichtet.
Schlussfolgerung Die PPMI-D kann im deutschsprachigen Raum eingesetzt werden, um Vorurteile gegenüber psychisch kranken Menschen zu erheben.
Male and Female Collegiate Ice Hockey Athletes’ Body Composition Over Competitive Seasons
Authors: Dengel Donald R. , Roelofs Erica J. , Czeck Madeline A. , Bosch Tyler A. 
Published: May 2021

AbstractEighty-three male and female (49/34) athletes underwent determination of total fat mass (FM), lean mass (LM), bone mineral density (BMD) and visceral adipose tissue (VAT) by dual X-ray absorptiometry during the pre-season, in-season and off-season. Athletes were classified by position of Goalie (G; M/F=7/6), Forward (F; M/F=26/18), or Defenseman (D; M/F=16/10). In males, all positions were similar in weight, FM, LM, BMD and VAT. In females, F weighed less than D and G. FM and VAT was lower in F than D and G, but D was not different from G. LM was lower in F compared to D, but not G, with no differences between D and G. There were no differences in BMD between positions. There were no seasonal changes in males for body composition variables. In females, FM, LM and VAT decreased from pre-season to in-season, while BMD increased. From in-season to off-season, LM increased and BMD decreased. From off-season to pre-season, FM and VAT increased. In conclusion, there were no differences across position or seasonal changes in body composition in males. However, there were positional and seasonal changes in body composition in females, indicating possible differences in training regimens during the off-season compared to males.
Organocatalyzed Oxa-Diels–Alder Reactions: Recent Progress
Authors: Biswas Anup , Kundu Samrat , Maji Modhu Sudan , Pal Dhananjoy , Pal Amit 
Published: May 2021

AbstractThe oxa-Diels–Alder reaction is a straightforward, atom-economical process for the construction of six-membered oxacycles, which are privileged structures due to their very common occurrence in several pharmaceuticals and natural products. As with many other asymmetric transformations, organocatalysis provides an elegant pathway to their synthesis via [4+2] annulation under mild reaction conditions. The oxa-Diels–Alder reaction utilizes either an α,β-unsaturated carbonyl as an oxa-diene with a suitable dienophile or a simple carbonyl as a dienophile with other dienes. A range of organocatalysts has been explored in the past decade to execute this strategy. The catalysts induce stereoselectivities via two basic reactivities: (1) The formation of chiral intermediates, or (2) selectively activating suitable reactants via a transition state. The present short review compiles organocatalyzed asymmetric oxa-Diels–Alder reactions published over the last ten years, along with detailed discussions on mechanistic approaches.1	Introduction2	Catalysis through Covalent Activation2.1	N-Heterocyclic Carbenes2.2	Amines2.3	Isothiourea Catalysis2.4	Phosphines3	Catalysis through Non-Covalent Activation3.1	Bifunctional Amines3.2	Brønsted Acids3.3	Guanidines4	Multicatalysis through Both Covalent and Non-Covalent Activation5	Conclusion
Validation of Arylphosphorothiolates as Convergent Substrates for Ar-SF4Cl and Ar-SF5 Synthesis
Authors: Cornella Josep , Wang Lin , Ni Shengyang 
Published: May 2021

AbstractIn this manuscript we describe the oxidative fluorination of aryl phosphorothiolates to access Ar-SF4Cl compounds. These compounds serve as precursors for the highly coveted Ar-SF5 compounds. The use of phosphorothiolates as starting materials permits access to Ar-SF4Cl from a wide variety of available starting materials, namely boronic acids, diazonium salts, aryl iodides, thiophenols, or simple arenes. The protocol has been demonstrated for >10 examples and showed good tolerance to various functional groups. Finally, we demonstrated that AgBF4 can be used as a fluorinating agent, affording good yields of an Ar-SF5.
Fuelling the female athlete: Carbohydrate and protein recommendations
Authors: Moore Daniel R. , Sygo Jennifer , Morton James P. 
Published: May 2021

ABSTRACTOptimal carbohydrate and protein intakes are vital for modulating training adaptation, recovery, and exercise performance. However, the research base underpinning contemporary sport nutrition guidelines has largely been conducted in male populations with a lack of consensus on whether the menstrual phase and associated changes in sex hormones allow broad application of these principles to female athletes. The present review will summarise our current understanding of carbohydrate and protein requirements in female athletes across the menstrual cycle and provide a critical analysis on how they compare to male athletes. On the basis of current evidence, we consider it premature to conclude that female athletes require sex specific guidelines in relation to CHO or protein requirements provided energy needs are met. However, there is a need for further research using sport‐specific competition and training related exercise protocols that rigorously control for prior exercise, CHO/energy intake, contraceptive use and phase of menstrual cycle. Our overarching recommendation is to use current recommendations as a basis for adopting an individualised approach that takes into account athlete specific training and competition goals whilst also considering personal symptoms associated with the menstrual cycle.
Wetland loss in Turkey over a hundred years: implications for conservation and management
Authors: Ataol Murat , Onmuş Ortaç 
Published: May 2021

ABSTRACT
The aims of this study were to provide a complete inventory of wetlands in Turkey including their past status (1910–1930) in comparison to the present time (2014). The types of wetlands and their area sizes were determined by using cartographical maps of 1/200,000 in scale made between 1910s and 1920s vs. 2006 CORINE Land Cover data, which were updated with Landsat 8 satellite images in 2014. The effect of possible climate change on wetlands sizes various local, national and regional rainfall datasets were analysed by correlation and regression analysis. A hundred years ago, the total number of natural wetlands was 1299 with a total surface area of 1,376,505 hectares. In 2014, the total number of natural wetlands had decreased to 900, with a total surface area of 1,085,936 hectares, so that 21.2% of the original wetlands were lost (291,339 hectares). The observed changes in the number of wetlands and their relative sizes cannot be attributed directly to changes in climate. Wetland drainage was largely responsible for observed wetland losses, but local changes in precipitation regimes partially contributed to this loss. Urgent conservation and restoration of wetlands are recommended to avoid further loss of wetlands in Turkey.
Large N-ightmare dark matter
Authors: Morrison Logan , Profumo Stefano , Robinson Dean J. 
Published: May 2021

Abstract
A dark QCD sector is a relatively minimal extension of the Standard Model (SM) that admits Dark Matter (DM) candidates, but requires no portal to the visible sector beyond gravitational interactions:
a “nightmare scenario” for DM detection.
We consider a secluded dark sector containing a single flavor of light, vector-like dark quark gauged under (N).
In the large-N limit, this single-flavor theory becomes highly predictive, generating two DM candidates whose masses and dynamics are described by few parameters:
a light quark-antiquark bound state, the dark analog of the η' meson, and a heavy bound state of N quarks, the dark analog of the Δ++ baryon.
We show that the latter may freeze-in with an abundance independent of the confinement scale,
forming DM-like relics for N ≲ 10, while the former may generate DM via cannibalization and freeze-out.
We study the interplay of this two-component DM system,
and determine the characteristic ranges of the confinement scale,
dark-visible sector temperature ratio, and N that admit non-excluded DM,
once effects of self-interaction constraints and bounds on effective degrees of freedom at the BBN and CMB epochs are included.
A highly birefringent photonic crystal fiber with compact cladding layers suitable for fiber optic gyroscope application
Authors: Alishacelestin X , Sivanantha Raja A , Selvendran S 
Published: May 2021

Abstract
A size reduced cladding layer of highly Birefringent photonic crystal fiber (PCF) that is suitable for fiber optic gyroscope application is proposed in this paper. A pair of minimized and enlarged air holes in the innermost layer of PCF is responsible for high birefringence and enlarged outer layer air holes are responsible for low confinement loss. The optimized geometrical parameters for this novel PCF are chosen so as to ensure high birefringence and low confinement loss. Fabrication of this proposed PCF is simplified by reducing the cladding layers. Obtained birefringence of this PCF is about 6.1 × 10−4 and the confinement loss is about 2.8 × 10−4 dB km−1.