bluuebunny/crossref_metadata_2025 huggingface dataset:
Dual-Task in Large Perceptual Space Reveals Subclinical Hemispatial Neglect
Authors: Villarreal Sanna , Linnavuo Matti , Sepponen Raimo , Vuori Outi , Jokinen Hanna , Hietanen Marja
Published: May 2020

Objective:

Both clinically observable and subclinical hemispatial neglect are related to functional disability. The aim of the present study was to examine whether increasing task complexity improves sensitivity in assessment and whether it enables the identification of subclinical neglect.

Method:

We developed and compared two computerized dual-tasks, a simpler and a more complex one, and presented them on a large, 173 × 277 cm screen. Participants in the study included 40 patients with unilateral stroke in either the left hemisphere (LH patient group, n = 20) or the right hemisphere (RH patient group, n = 20) and 20 healthy controls. In addition to the large-screen tasks, all participants underwent a comprehensive neuropsychological assessment. The Bells Test was used as a traditional paper-and-pencil cancellation test to assess neglect.

Results:

RH patients made significantly more left hemifield omission errors than controls in both large-screen tasks. LH patients’ omissions did not differ significantly from those of the controls in either large-screen task. No significant group differences were observed in the Bells Test. All groups’ reaction times were significantly slower in the more complex large-screen task compared to the simpler one. The more complex large-screen task also produced significantly slower reactions to stimuli in the left than in the right hemifield in all groups.

Conclusions:

The present results suggest that dual-tasks presented on a large screen sensitively reveal subclinical neglect in stroke. New, sensitive, and ecologically valid methods are needed to evaluate subclinical neglect.
Evaluation of active tectonics using geomorphic indices in a mountainous basin of Iran
Authors: BAHARVAND Siamak , PARDHAN Biswajeet , SOORI Salman
Published: May 2020

This study aims to evaluate the tectonic activities of the Vark basin, located in the great basin of Dez River in northwestern Iran, using geomorphologic indices combined with the geographical information system technique. Some geomorphic indices were used to achieve this aim. In this regard, the indices of stream length (SL), drainage asymmetry (Af), hypsometric integral (Hi), valley floor ratio (Vf), basin shape (Bs), and mountain sinuosity (Smf) were estimated to reach an average index of relative tectonics (Iat), indicating the intensity classes of tectonic activity. The mean SL,Hi,Vf, andBsvalues were estimated as 2273, 0.55, 0.45, and 1.75, respectively, regarding the active class of tectonic activity. Therefore, considering theAfandSmfindices with values of 27 and 1.14, the basin was categorised as having semi-active conditions. The overallIat, with a value of 1.33, represented the very high class (1.0 <Iat< 1.5) of tectonic activity. Hence, by calculating the index of relative active tectonics, the study area is observed as the intensive class concerning tectonic movements. Overall, the mean values of theIatfor all sub-basins were calculated as 1.50, 1.17, and 1.83, revealing the very high and high classes of active tectonics in the basin. The results obtained on tectonic activity were further confirmed during field observations by examining the structurally complex joints, folds, slips, faults, and fractures of the area, which reflect the dynamic nature of the regional tectonics.
An Iconic Eruption Shaped Careers, as well as Landscapes
Authors: Palmer Jane
Published: May 2020

The 1980 eruption of Mount St. Helens influenced scientists who witnessed the event and spurred a new era in physical volcanology.
Angiogenic cytokines can reflect the synovitis severity and treatment response to biologics in rheumatoid arthritis
Authors: Kim Ji‐Won , Kong Jin-Sun , Lee Saseong , Yoo Seung-Ah , Koh Jung Hee , Jin Jingchun , Kim Wan-Uk
Published: May 2020

Angiogenesis and synoviocyte hyperplasia, called ‘pannus,’ are pathologic hallmarks of rheumatoid arthritis (RA). To determine the clinical significance of angiogenic cytokines in RA, the levels of pro-angiogenic cytokines, including VEGF, placenta growth factor (PlGF), and IL-6, were measured in the synovial fluid (SF,n = 54) and sera of RA patients (n = 157) using ELISA. Patients (n = 103) with disease activity score 28 (DAS28) > 3.2, which indicates moderate to high RA activity, underwent follow-up blood sampling at 6 months after treatment with conventional disease-modifying anti-rheumatic drugs (c-DMARD) or biologic DMARD (b-DMARD) including an anti-TNFα antibody, an anti-IL-6 antibody, and abatacept. Ultrasonography (US) was performed on affected joints to define the synovitis severity at the time of sampling. Consequently, in the SF of RA patients, PlGF and IL-6 levels correlated well with synovitis severity determined by US. In RA sera, VEGF and IL-6 levels were elevated in proportion to synovitis severity, correlating with conventional markers for disease activity, including ESR, CRP, and DAS28. In c-DMARD users (n = 53), serially monitored levels of serum VEGF, IL-6, erythrocyte sedimentation rate (ESR), and C-reactive protein (CRP) all decreased in good and moderate responders but not in nonresponders. In b-DMARD users (n = 49), only serum VEGF well represented the treatment response, while CRP nonspecifically decreased irrespective of the treatment outcome. By multivariable analysis, serum ΔVEGF, but not ΔESR or ΔCRP, was an independent factor associated with good and moderate responses to DMARD. In summary, the angiogenic cytokines PlGF and VEGF represent the synovitis severity of RA assessed by US. In patients receiving b-DMARD, serum VEGF may be more valuable than CRP in reflecting the treatment response.
Ptychography retrieval of fully polarized holograms from geometric-phase metasurfaces
Authors: Song Qinghua , Baroni Arthur , Sawant Rajath , Ni Peinan , Brandli Virginie , Chenot Sébastien , Vézian Stéphane , Damilano Benjamin , de Mierry Philippe , Khadir Samira , Ferrand Patrick , Genevet Patrice
Published: May 2020

Controlling light properties with diffractive planar elements requires full-polarization channels and accurate reconstruction of optical signal for real applications. Here, we present a general method that enables wavefront shaping with arbitrary output polarization by encoding both phase and polarization information into pixelated metasurfaces. We apply this concept to convert an input plane wave with linear polarization to a holographic image with arbitrary spatial output polarization. A vectorial ptychography technique is introduced for mapping the Jones matrix to monitor the reconstructed metasurface output field and to compute the full polarization properties of the vectorial far field patterns, confirming that pixelated interfaces can deflect vectorial images to desired directions for accurate targeting and wavefront shaping. Multiplexing pixelated deflectors that address different polarizations have been integrated into a shared aperture to display several arbitrary polarized images, leading to promising new applications in vector beam generation, full color display and augmented/virtual reality imaging.
Integrative analysis of reference epigenomes in 20 rice varieties
Authors: Zhao Lun , Xie Liang , Zhang Qing , Ouyang Weizhi , Deng Li , Guan Pengpeng , Ma Meng , Li Yue , Zhang Ying , Xiao Qin , Zhang Jingwen , Li Hongmeijuan , Wang Shunyao , Man Jiangwei , Cao Zhilin , Zhang Qinghua , Zhang Qifa , Li Guoliang , Li Xingwang
Published: May 2020

Epigenomic modifications are instrumental for transcriptional regulation, but comprehensive reference epigenomes remain unexplored in rice. Here, we develop an enhanced chromatin immunoprecipitation (eChIP) approach for plants, and generate genome-wide profiling of five histone modifications and RNA polymerase II occupancy with it. By integrating chromatin accessibility, DNA methylation, and transcriptome datasets, we construct comprehensive epigenome landscapes across various tissues in 20 representative rice varieties. Approximately 81.8% of rice genomes are annotated with different epigenomic properties. Refinement of promoter regions using open chromatin and H3K4me3-marked regions provides insight into transcriptional regulation. We identify extensive enhancer-like promoters with potential enhancer function on transcriptional regulation through chromatin interactions. Active and repressive histone modifications and the predicted enhancers vary largely across tissues, whereas inactive chromatin states are relatively stable. Together, these datasets constitute a valuable resource for functional element annotation in rice and indicate the central role of epigenomic information in understanding transcriptional regulation.
Author Correction: Interleukin-17 promotes angiogenesis by stimulating VEGF production of cancer cells via the STAT3/GIV signaling pathway in non-small-cell lung cancer
Authors: Pan Bo , Shen Jing , Cao Jingyan , Zhou Yongxu , Shang Lihua , Jin Shi , Cao Shoubo , Che Dehai , Liu Fang , Yu Yan
Published: May 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Flexible porphyrin doped polymer optical fibers for rapid and remote detection of trace DNT vapor
Authors: Lin Huan , Cheng Xin , Yin Ming-Jie , Bao Zhouzhou , Wei Xunbin , Gu Bobo
Published: May 2020

A flexible porphyrin doped polymer optical fiber was developed for fast and highly sensitive monitoring of DNT vapors.
Novel “turn on–off” paper sensor based on nonionic conjugated polythiophene-coated CdTe QDs for efficient visual detection of cholinesterase activity
Authors: Ou Qi , Tawfik Salah M. , Zhang Xinfeng , Lee Yong-Ill
Published: May 2020

A novel conjugated polythiophene (CP) compound was successfully combined with CdTe quantum dots to improve their selectivity and sensitivity for the efficient visual detection of AChE activity via the color variation of CdTe/CP.
Phthalocyanine–DNA origami complexes with enhanced stability and optical properties
Authors: Shaukat Ahmed , Anaya-Plaza Eduardo , Julin Sofia , Linko Veikko , Torres Tomas , de la Escosura Andrés , Kostiainen Mauri A.
Published: May 2020

Cationic phthalocyanines bind DNA origami nanostructures, which protects them against enzymatic degradation and enhances the optical properties of the phthalocyanines.
Microfluidic dialysis using photo-patterned hydrogel membranes in PDMS chips
Authors: Nguyen Hoang-Thanh , Massino Morgan , Keita Camille , Salmon Jean-Baptiste
Published: May 2020

Permeable hydrogel membranes in PDMS chips integrating Quake valves for dialysis applications in closed nanoliter chambers.
Selective fluorescence sensing properties of a novel two-fold interpenetrating coordination polymer
Authors: Wang Jun , Chen Ning-Ning , Pan Chen-Dong , Zhang Chen , Fan Liming
Published: May 2020

One novel 3D interpenetrated Zn(ii) CP acts as multi-functional chemosensors in detection of acetone, Fe3+, Cu2+, Cr2O72−, CrO42−and nitrofurantoin (NFT).
New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity
Authors: Fernandes Tiago A. , André Vânia , Arol Aliaksandr S. , França Ângela , Mikhalyonok Sergei , Cerca Nuno , Kirillov Alexander M.
Published: May 2020

New silver(i) (thio)semicarbazide coordination compounds were prepared, fully characterized, and tested as antimicrobial and antibiofilm agents.
Diving into the world of marine 2,11-cyclized cembranoids: a summary of new compounds and their biological activities
Authors: Li Geng , Dickschat Jeroen S. , Guo Yue-Wei
Published: May 2020

This review summarises new marine 2,11-cyclized cembranoids from the past decade in a structured presentation according to their hypothetical biosynthesis.
Enabling high electrochemical activity of a hollow SiO2anode by decorating it with ultrafine cobalt nanoparticles and a carbon matrix for long-lifespan lithium ion batteries
Authors: Zhu Mengyao , Shen Yabin , Chang Limin , Yin Dongming , Cheng Yong , Wang Limin
Published: May 2020

Silica is a very promising anode material for lithium-ion batteries, due to its advantages of being resource-rich and having high theoretical specific capacity.
Synergistic oxygen substitution and heterostructure construction in polymeric semiconductors for efficient water splitting
Authors: Chen Li , Wang Yuze , Wu Chongbei , Yu Guanhang , Yin Yue , Su Chenliang , Xie Jijia , Han Qing , Qu Liangti
Published: May 2020

A synergistic oxygen substitution and heterostructure construction strategy was developed to synthesize oxygenated-triazine-heptazine-conjugated polymer nanoribbons for photocatalytic water splitting.
Correction: Cs2NaGaBr6: a new lead-free and direct band gap halide double perovskite
Authors: Saeed Yasir , Amin Bin , Khalil Haleema , Rehman Fida , Ali Hazrat , Khan M. Imtiaz , Mahmood Asif , Shafiq M.
Published: May 2020

Correction for ‘Cs2NaGaBr6: a new lead-free and direct band gap halide double perovskite’ by Yasir Saeed et al., RSC Adv., 2020, 10, 17444–17451, DOI: 10.1039/D0RA01764G.
Expanded toolbox for directing the biosynthesis of macrocyclic peptides in bacterial cells
Authors: Iannuzzelli Jacob A. , Fasan Rudi
Published: May 2020

A new suite of unnatural amino acids is reported for directing the biosynthesis of genetically encoded macrocyclic peptides in live bacteria.
Self-adjusting binding pockets enhance H2 and CH4 adsorption in a uranium-based metal–organic framework
Authors: Halter Dominik P. , Klein Ryan A. , Boreen Michael A. , Trump Benjamin A. , Brown Craig M. , Long Jeffrey R.
Published: May 2020

Optimizing binding pocket geometries in MOFs for ideal interaction with target molecules remains a tremendous synthetic challenge. In the new MOF U(bdc)2, self-adjusting binding pockets flex to bind differently sized guests H2, CH4 and DMF.
Dynamics of carbon formation during the catalytic hydrodeoxygenation of raw bio-oil
Authors: Hita Idoia , Cordero-Lanzac Tomás , Bonura Giuseppe , Frusteri Francesco , Bilbao Javier , Castaño Pedro
Published: May 2020

The formation, growth and transformation of carbon residue (coke) deposited on the catalyst during the raw bio-oil hydrodeoxygenation has been studied.
The Patient's Opinion Regarding Different Service Delivery Models for Voice Therapy
Authors: Meerschman Iris , Van Lierde Kristiane , Claeys Sofie , D'haeseleer Evelien
Published: May 2020

Purpose

The purpose of this study was to compare the voice patient's opinion regarding three service delivery models for voice therapy: a short-term intensive voice therapy with individual sessions (IVT-I), a short-term intensive voice therapy with group sessions (IVT-G), or a long-term traditional voice therapy with individual sessions (TVT).

Method

Forty-six adult voice patients who followed either IVT-I, IVT-G, or TVT were contacted by e-mail with the request to fill in an online questionnaire reviewing their opinion about the received therapy. Several items concerning satisfaction, progress, time-related variables, transfer, and need for further therapy were scored by means of visual analog scales. Participants were also asked whether or not they continued voice therapy after the study.

Results

There were no significant differences between the three groups regarding the patients' perception of vocal quality improvement, degree of resolution of the voice disorder, duration of one session, total therapy duration, degree of transfer, need for further therapy, and actual continuation of therapy. A higher satisfaction rate was found for patients of the IVT-I and TVT groups than patients of the IVT-G group. The IVT-I group rated the therapy as too frequent compared with the TVT group who rated the frequency as optimal.

Conclusion

Results suggest that patients are equally satisfied and perceive a similar progress after individual short-term intensive voice therapy and individual long-term traditional voice therapy. This finding creates flexibility in selecting time-related variables depending on the specific case and situation. Patients who received individual therapy were more satisfied than patients who received group therapy. Future larger scale investigation is needed to confirm these results.
Communication Modes and Functions in Children With Cerebral Palsy
Authors: McFadd Emily D. , Hustad Katherine C.
Published: May 2020

Purpose

This study seeks to determine how speech-language impairments relate to the frequency and diversity of communication modes and functions produced by children with cerebral palsy (CP) during interactions with their mothers.

Method

We studied 40 children with CP (
M
age
= 62 months) comprising three groups: those who were unable to speak and had anarthria (
n
= 15), those with speech motor impairment and language comprehension impairment (SMI-LCI;
n
= 15), and those with speech motor impairment and typical language comprehension (SMI-LCT;
n
= 10). Mother–child play interactions were coded for child modes and functions. Generalized linear regression models were used to examine the relationship between profile group and frequencies of communication modes and functions.

Results

Results indicated groups SMI-LCI and SMI-LCT had significantly higher mean frequencies of vocalizations, vocalizations + gestures, comments, initiations, and requests than the group of those who were unable to speak and had anarthria. All children used vocalizations primarily, though these vocalizations were often not understood. SMI-LCI and SMI-LCT differed on two measures: frequency of gestures and frequency of initiations. The majority of children in this sample did not have access to augmentative and alternative communication devices.

Conclusion

Results of this study highlight the need for parent-mediated interventions for children with CP that emphasize multimodal communication tailored to impairment profiles.

Supplemental Material

https://doi.org/10.23641/asha.12354704
Effects of Self-Generated Noise on Quiet Threshold by Transducer Type in School-Age Children and Adults
Authors: Porter Heather L. , Leibold Lori J. , Buss Emily
Published: May 2020

Purpose

Low-frequency detection thresholds in quiet vary across transducers. This experiment tested the hypothesis that transducer effects are larger in young children than adults, due to higher levels of self-generated noise in children.

Method

Listeners were normal-hearing 4.6- to 11.7-year-olds and adults. Warble-tone detection was measured at 125, 250, 500, and 1000 Hz with a sound-field speaker, insert earphones, and supra-aural headphones. Probe microphone recordings measured self-generated noise levels.

Results

Thresholds were similar across ages for speaker measurements. Transducer effects were larger for children than adults, with mean child–adult threshold differences at 125 Hz of 3.4 dB (insert earphones) and 6.6 dB (supra-aural headphones). Age effects on threshold were broadly consistent with noise levels measured in the ear canal.

Conclusions

Self-generated noise appears to elevate children's low-frequency thresholds measured with occluding transducers. These effects could be particularly relevant to the diagnosis of minimal and mild hearing loss in children.
Detecting load redistribution attacks via support vector models
Authors: Chu Zhigang , Kosut Oliver , Sankar Lalitha
Published: May 2020

A machine learning‐based detection framework is proposed to detect a class of cyber‐attacks that redistribute loads by modifying measurements. The detection framework consists of a multi‐output support vector regression (SVR) load predictor and a subsequent support vector machine (SVM) attack detector to determine the existence of load redistribution (LR) attacks utilising loads predicted by the SVR predictor. Historical load data for training the SVR are obtained from the publicly available PJM zonal loads and are mapped to the IEEE 30‐bus system. The features to predict loads are carefully extracted from the historical load data capturing both temporal and spatial correlations. The SVM attack detector is trained using normal data and randomly created LR attacks so that it can maximally explore the attack space. An algorithm to create random LR attacks is introduced. The results show that the SVM detector trained merely using random attacks can effectively detect not only random attacks but also intelligently designed attacks. Moreover, using the SVR predicted loads to re‐dispatch generation when attacks are detected can significantly mitigate the attack consequences.
3D propagation of relativistic solar protons through interplanetary space
Authors: Dalla S. , de Nolfo G. A. , Bruno A. , Giacalone J. , Laitinen T. , Thomas S. , Battarbee M. , Marsh M. S.
Published: May 2020

Context.Solar energetic particles (SEPs) with energy in the GeV range can propagate to Earth from their acceleration region near the Sun and produce ground level enhancements (GLEs). The traditional approach to interpreting and modelling GLE observations assumes particle propagation which is only parallel to the magnetic field lines of interplanetary space, that is, spatially 1D propagation. Recent measurements by PAMELA have characterised SEP properties at 1 AU for the ∼100 MeV–1 GeV range at high spectral resolution.

Aims.We model the transport of GLE-energy solar protons using a 3D approach to assess the effect of the heliospheric current sheet (HCS) and drifts associated to the gradient and curvature of the Parker spiral. We derive 1 AU observables and compare the simulation results with data from PAMELA.

Methods.We use a 3D test particle model including a HCS. Monoenergetic populations are studied first to obtain a qualitative picture of propagation patterns and numbers of crossings of the 1 AU sphere. Simulations for power law injection are used to derive intensity profiles and fluence spectra at 1 AU. A simulation for a specific event, GLE 71, is used for comparison purposes with PAMELA data.

Results.Spatial patterns of 1 AU crossings and the average number of crossings per particle are strongly influenced by 3D effects, with significant differences between periods ofA+andA−polarities. The decay time constant of 1 AU intensity profiles varies depending on the position of the observer and it is not a simple function of the mean free path as in 1D models. Energy dependent leakage from the injection flux tube is particularly important for GLE energy particles, resulting in a rollover in the spectrum.
SESAME, un laboratoire d’excellence multidisciplinaire au service des scientifiques du Moyen-Orient
Authors: Nadji Amor , Tadjeddine Abderrahmane
Published: May 2020

Le 16 mai 2017, le centre de rayonnement synchrotron de troisième génération SESAME a été officiellement inauguré par le roi Abdallah II de Jordanie sur le site d’Allan, au nord d’Amman.

C’est l’aboutissement de deux décennies d’une collaboration internationale ayant pour objectif de créer un centre de recherche scientifique interdisciplinaire ouvert à tous les pays de la région.

Cette inauguration marque le début d’une ère nouvelle pour la recherche scientifique, le développement technologique, l’éducation et la coopération au Moyen-Orient.

Nous proposons de retracer ici la genèse et l’état actuel de ce projet créé, à l’image du CERN, sous les auspices de l’UNESCO.
Accélérer la cicatrisation des plaies chroniques grâce à des pansements à base de graphène : la start-up GRAPHEAL
Authors: Bouchiat Vincent , Belakhovsky Michel
Published: May 2020

La start-up grenobloise GRAPHEAL a mis au point un pansement connecté, qui permet de suivre l’état des plaies chroniques en continu et favorise leur cicatrisation. Vincent Bouchiat, fondateur de GRAPHEAL, est interviewé par Michel Belakhovsky pour Reflets de la physique.
Thermal effectiveness of active caloric regenerators
Authors: Rowe A.
Published: May 2020

Caloric materials respond to external field variations such as magnetic, stress, and electric. A simple caloric cycle uses entropy and temperature changes resulting from a single field variation to provide useful transfers of work and heat. An active regenerator cycle increases operating range and efficiency of a caloric material when property variations are appropriately matched to design conditions. However, the variability of material properties, wide range of design variables, and non-linear interactions complicate design of devices. Simplified analytic models are needed to increase understanding and quantify potential of calorics for commercial heat pumps and engines. An analytic model of a generic active caloric regenerator operating as a heat pump or engine is described. A thermal effectiveness is defined as an analytic function of operating, design, and material parameters.
Ring coupled cluster doubles at the multireference level
Authors: Margócsy Á. , Szabados Á.
Published: May 2020

A ring approximation within an internally contracted multireference (MR) Coupled Cluster (CC) framework is worked out and tested. Derivation of equations utilizes MR based, generalized normal ordering and the corresponding generalized Wick-theorem (MR-GWT). Contractions among cluster operators are avoided by adopting a normal ordered exponential ansatz. The original version of the MR ring CC doubles (MR-rCCD) equations [Á. Szabados and Á. Margócsy, Mol. Phys. 115, 2731 (2017)] is rectified in two aspects. On the one hand, over-completeness of double excitations is treated by relying on the concept of frames. On the other hand, restriction on the maximal cumulant rank is lifted from two to four. This is found essential for obtaining reliable correlation corrections to the energy. The MR function underlying the approach is provided by the Generalized Valence Bond (GVB) model. The pair structure of the reference ensures a fragment structure of GVB cumulants. This represents a benefit when evaluating cumulant contractions appearing as a consequence of MR-GWT. In particular, cumulant involving terms remain less expensive than their traditional, pair-contracted counterpart, facilitating an O(N6) eventual scaling of the proposed MR-rCCD method. Pilot applications are presented for covalent bond breaking, deprotonation energies, and torsional potentials.
Siesta: Recent developments and applications
Authors: García Alberto , Papior Nick , Akhtar Arsalan , Artacho Emilio , Blum Volker , Bosoni Emanuele , Brandimarte Pedro , Brandbyge Mads , Cerdá J. I. , Corsetti Fabiano , Cuadrado Ramón , Dikan Vladimir , Ferrer Jaime , Gale Julian , García-Fernández Pablo , García-Suárez V. M. , García Sandra , Huhs Georg , Illera Sergio , Korytár Richard , Koval Peter , Lebedeva Irina , Lin Lin , López-Tarifa Pablo , Mayo Sara G. , Mohr Stephan , Ordejón Pablo , Postnikov Andrei , Pouillon Yann , Pruneda Miguel , Robles Roberto , Sánchez-Portal Daniel , Soler Jose M. , Ullah Rafi , Yu Victor Wen-zhe , Junquera Javier
Published: May 2020

A review of the present status, recent enhancements, and applicability of the Siesta program is presented. Since its debut in the mid-1990s, Siesta’s flexibility, efficiency, and free distribution have given advanced materials simulation capabilities to many groups worldwide. The core methodological scheme of Siesta combines finite-support pseudo-atomic orbitals as basis sets, norm-conserving pseudopotentials, and a real-space grid for the representation of charge density and potentials and the computation of their associated matrix elements. Here, we describe the more recent implementations on top of that core scheme, which include full spin–orbit interaction, non-repeated and multiple-contact ballistic electron transport, density functional theory (DFT)+U and hybrid functionals, time-dependent DFT, novel reduced-scaling solvers, density-functional perturbation theory, efficient van der Waals non-local density functionals, and enhanced molecular-dynamics options. In addition, a substantial effort has been made in enhancing interoperability and interfacing with other codes and utilities, such as wannier90 and the second-principles modeling it can be used for, an AiiDA plugin for workflow automatization, interface to Lua for steering Siesta runs, and various post-processing utilities. Siesta has also been engaged in the Electronic Structure Library effort from its inception, which has allowed the sharing of various low-level libraries, as well as data standards and support for them, particularly the PSeudopotential Markup Language definition and library for transferable pseudopotentials, and the interface to the ELectronic Structure Infrastructure library of solvers. Code sharing is made easier by the new open-source licensing model of the program. This review also presents examples of application of the capabilities of the code, as well as a view of on-going and future developments.
Raman spectroscopy of alpha-FeOOH (goethite) near antiferromagnetic to paramagnetic phase transition
Authors: Abrashev M. V. , Ivanov V. G. , Stefanov B. S. , Todorov N. D. , Rosell J. , Skumryev V.
Published: May 2020

Synthetic powder, ore samples, and mineral single crystals of goethite (α-FeOOH) were investigated with polarized Raman spectroscopy at temperatures from 293 K to 473 K. The symmetry of the vibrational modes, observed in different scattering configurations, was determined unequivocally. The assignment of the Raman-active modes to definite atomic vibrations is supported by two types of lattice-dynamical calculations: empirical shell model and ab initio density functional theory. The temperature dependencies of the line shape parameters of some Raman-active vibrations at temperatures near to the antiferromagnetic–paramagnetic phase transition infers for a significant spin–lattice coupling in this compound. The most informative in this aspect is the B3g phonon at 387cm−1, which overlays a broad scattering background and displays a pronounced asymmetric Fano-line shape. The asymmetry increases in the paramagnetic state above the Néel temperature (TN=393K), indicating a strong interaction of this mode with the underlying excitation continuum. The origin of the excitation background is discussed in light of our experimental results and the existing data for the magnetic structure and transport properties of α-FeOOH. By using the molecular-orbital dimer approach, we calculate the spin–phonon coupling constants for the B3g mode as J′=−0.2eV/Å and J″=+0.18eV/Å2, respectively. Thus, we rationalize that, most probably, the scattering background stems from magnetic excitations, and the asymmetric shape of the B3g band is a result of a linear spin–phonon coupling of this mode with the Fe–O1–Fe spin dimers. Another mechanism, a phonon interaction with thermally activated charge carriers above TN, is also considered.
Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data
Authors: Hsu Darren J. , Leshchev Denis , Kosheleva Irina , Kohlstedt Kevin L. , Chen Lin X.
Published: May 2020

In the past few decades, prediction of macromolecular structures beyond the native conformation has been aided by the development of molecular dynamics (MD) protocols aimed at exploration of the energetic landscape of proteins. Yet, the computed structures do not always agree with experimental observables, calling for further development of the MD strategies to bring the computations and experiments closer together. Here, we report a scalable, efficient MD simulation approach that incorporates an x-ray solution scattering signal as a driving force for the conformational search of stable structural configurations outside of the native basin. We further demonstrate the importance of inclusion of the hydration layer effect for a precise description of the processes involving large changes in the solvent exposed area, such as unfolding. Utilization of the graphics processing unit allows for an efficient all-atom calculation of scattering patterns on-the-fly, even for large biomolecules, resulting in a speed-up of the calculation of the associated driving force. The utility of the methodology is demonstrated on two model protein systems, the structural transition of lysine-, arginine-, ornithine-binding protein and the folding of deca-alanine. We discuss how the present approach will aid in the interpretation of dynamical scattering experiments on protein folding and association.
Enantio-discrimination via light deflection effect
Authors: Chen Yu-Yuan , Ye Chong , Zhang Quansheng , Li Yong
Published: May 2020

We propose a theoretical method for enantio-discrimination based on the light deflection effect in four-level models of chiral molecules. This four-level model consists of a cyclic three-level subsystem coupled by three strong driving fields and an auxiliary level connected to the cyclic three-level subsystem by a weak probe field. It is shown that the induced refractive index for the weak probe field is chirality-dependent. Thus, it will lead to chirality-dependent light deflection when the intensities of two of the three strong driving fields are spatially inhomogeneous. As a result, the deflection angle of the weak probe light can be utilized to detect the chirality of pure enantiomers and enantiomeric excess of the chiral mixture. Therefore, our method may act as a tool for enantio-discrimination.
Coffee agribusiness and income farmers
Authors: Tenriawaru A N , Summase I , Rukka R M , Viantika N M , Arsyad M , Amiruddin A , Hadman A B
Published: May 2020

This study aims to determine the condition of coffee agribusiness in the Benteng Alla Utara Village, Baroko District, Enrekang Regency. The research locations were done intentionally or purposive sampling with the consideration that Benteng Alla Utara Village is the center of coffee development in Enrekang Regency. The number of samples taken was 24 farmers and four informants. Analysis of the data used is descriptive analysis and income analysis. The results showed the average income of coffee farmers amounting to IDR 32,027,644, the acceptance of coffee farming in Benteng Alla Utara Village within one year divided by the total cost of producing R / C Ratio of 15.12.
Analysis of soybean farmers income that involved and not involved in The Pajale Special Efforts Program (UPSUS)
Authors: Lanuhu N , Saadah  , Mahyuddin  , Darwis  , Diansari P , Sulili A , Wirdansyah A , Nurlaela
Published: May 2020

The UPSUS program (Special Efforts) is one of the efforts to support soybean self-sufficiency. Special Efforts (UPSUS) are the main program of the Ministry of Agriculture to improve the welfare of farmers. Through a special effort program (UPSUS), Pajale is expected to be able to be a learning material for farmers in increasing their farming production and productivity to increase the income and welfare of the farmer’s family. This study aims to analyze the income of soybean farmers who are not involved and who are involved in the Special Efforts (UPSUS) Pajale program. The population of the study was 150 farmers who were involved in the UPSUS Pajale Program using the purposive sampling method. The analysis used in this study was income analysis by calculating the income, costs, and receipt of soybean farmers involved and not involved in the Special Efforts (UPSUS) Pajale program. The results of the study concluded that farmers who participated in Pajale’s Special Efforts Program (UPSUS) had higher incomes than those who did not participate in the Pajale Special Efforts Program (UPSUS) in the three research sites.
Hunting and trading activities of reticulated python (Python reticulatus) in South Sulawesi, Indonesia: A report from the field
Authors: Wahab D A , Maulany R I , Nasri  , Nirsyawita
Published: May 2020

One of the main causes of biodiversity loss apart from habitat destruction is wildlife trade and when those causes combined, the impacts are detrimental to the survival of the species. Among all of wildlife traded, wild-sourced reptiles are found to be the highest traded during 2000s particularly for reptile skins where 24% were exported from Indonesia with 50% were known to be originated from pythons. This was included reticulated python (Python reticulatus) where many have been hunted for its meat, skin, fat and other parts not only for livelihood needs but also for traditional medicines and recently used for fashion materials which has significantly increased its trade. South Sulawesi Province has been known to become one of the sources in python’s skin trade. This study aims to 1) identify potential areas to catch reticulated python; 2) examine the profiles of hunters/collectors of python’s skins; 3) identify distribution channel of the skin trade within the region; and 4) determine sustainability of the python skin trading in South Sulawesi Province. A comprehensive survey targeting on hunters/collectors was carried in the three regencies (Bone, Wajo, Luwu) known to be potential areas of catching pythons in the region. To provide information on hunter’s/collector’s profiles, python’s population conditions, catching period and techniques used, structured interviews towards identified hunters/collectors were conducted. It was found that for the three regencies, there were total four hunters/collectors for reticulated python’s skins which marketed the skins directly to 1-2 companies in Makassar. The catching areas were known to be 42 spots widely distributed across the three regencies with the highest found to be in Wajo Regency (17 spots). Most of the pythons were caught live with standard length of 2.5 m. Number of pythons per month was ranged from 20-200 individuals with sold prices ranged from USD 3-5 per individuals. The collectors sold the pythons only in skin form with the prices around USD 4-6 per meter. In South Sulawesi, the hunters/collectors sold directly to distributor companies without any middle men. Based on the previous quota and the results of findings in the field, the hunting of python skins is still below the allowable quota and did not exceeded the population in the wild. Therefore, the harvest of the species through hunting can be considered sustainable.
Difference use of labors in land area for each stage of rice farming in irrigated rice fields
Authors: Tenriawaru A N , Rukmana D , Mahyuddin  , Salam M , Riadi A F
Published: May 2020

The purpose of this study was to look at differences in labor use in <1 ha land area and > 1 ha land area in rice farming in irrigated rice fields in Mulyasri Village, Tomoni District, East Luwu Regency, South Sulawesi. The sample of respondents in this study was 32 irrigated rice farmers. Data collection methods used in this study were interviews and questionnaires. The analytical method used in this study was the Analysis Of Variance (ANOVA) method. This research was conducted from October 2018 to November 2018. The results of the study showed that there were differences in the use of labor. The use of HOK on land area < 1 ha is more than the use of HOK on land area > 1.
Differences in characteristics of farmers who do and do not conduct a beef cattle business partnership system (teseng)
Authors: Rohani S T , Siregar A R , Rasyid T G , Aminawar M , Darwis M
Published: May 2020

The character of farmers has an important role in running a beef cattle business with a teseng system carried out between farmers and capital owners who provide cattle for and are cultivated. This study aims to determine differences in the characteristics of farmers who do with those who do not do the teseng in Patimpeng District, Bone Regency. This research was conducted with a sample of 50 people beef cattle farmers. A simple random sampling technique was done through interviews and analyzed using descriptive statistics. The results showed that the characteristics of farmers who did the teseng aged from 39 to 47 years, all were male, the most recent education was high school/equivalent, the majority of family members numbered 4 to 6 people, most had cattle 4 to 6 tails, and have been raising for 10 to 15 years.The characteristics of farmers who do not do the teseng aged 48 to 56 years old, all are male, the most recent education is high school/equivalent, the number of family members is mostly 1 to 3 people, most have cattle from 4 to 6 tails and have been raising for 10 to 15 years.
Land characterization of local glutinous rice production
Authors: Neswati R , Baja S , Ruslan N R
Published: May 2020

Pulu mandoti is the local glutinous rice from Enrekang Regency with the advantage of distinctive odor and taste, which is not possessed by similar rice. The research aimed to of knowing the character of the local glutinous rice producing area of Enrekang (pulu mandoti). The research was conducted using a structured survey method. Data collection was conducted by observation in the field, analysis in the laboratory, documentation, and interviews of farmers. Soil sampling were conducted by purposive sampling where the determination of the wetland planted with glutinous rice can be determined through the making of a transect lines using a topographic map. The results showed that the best producers of pulu mandoti were in the Piawan Village, Kendenan Subdistrict with an average temperature of 21-25ºC, an average rainfall of ± 1,083 mm/yr, the elevation of 800masl and the slope of 10%. The texture of silt loam, silt clay loam, clay loam and sandy loam. Soil depth >98cm with pH of 5.5 - 6.4, CEC 16-25 cmol/kg, C-organic >2%, low salinity <0.25 dS/m and base saturation >35%. This research has a low of N- total content >0.2%, high of P-available 17 ppm, low of K2O <0.3 cmol/kg with average yield 440 kg/ha.
Strategy for improving sustainable cocoa (Theobroma cacao L) plant productivity in South Sulawesi based on land suitability
Authors: Syarif M M , Rismaneswati  , Asrul L , Kaimuddin
Published: May 2020

This study aimed to establish land suitability classes in South Sulawesi for cocoa plant development, determine the productivity potential of South Sulawesi cocoa, and determine efforts to optimize cocoa productivity in South Sulawesi. The method used was a mixed qualitative and quantitative. The study was conducted in three cocoa producing districts with different climate types. 18 units of soil profiles were analyzed and interviews with farmers was carried out to obtain information on the actual cocoa yield and implemented management. Land suitability analysis was conducted using a parametric approach (square root method), farming analysis (B/C ratio), Analytical Hierarchy Process (AHP) for decision making, and correlation analysis to determine the relationship of suitability index with cocoa yield. The results show that the climate suitability analysis at the location was S3 (marginally suitable) and S2 (moderately suitable). The results of land suitability in Bantaeng Regency are mostly S3 (marginally suitable) with limiting factors for soil depth and humidity. Whereas in the districts of East Luwu and Pinrang, land suitability classes obtained were S3 (marginally suitable) and S2 class (moderately suitable). The limiting factors included climate (rainfall and humidity), soil depth, pH and slope. Overall cocoa farming in South Sulawesi is feasible to be developed with an R/C value> 1, NPV of IDR13,495,268; Net B/C 1.1, and IRR of 15.8%. Correlation analysis between land suitability index and cocoa productivity was not statistically significant (P <0.05). The priority strategy for increasing cocoa crop productivity is the addition of organic fertilizer.
In vitro growth response on three provenances of Jabon Merah based on auxin and cytokinin combinations
Authors: Batti J R , Larekeng S H , Arsyad M A , Gusmiaty  , Restu M
Published: May 2020

This study aimed to determine the combination of plant growth regulators (PGR) that affects the growth of three provenances of Jabon merah through in vitro culture. This research was conducted in December 2017 to March 2018 at Biotechnology and Tree Breeding Laboratory, Hasanuddin University, Makassar. Research step consisted of sterilization, stock solutions and culture media preparation, and planting. The observation parameters were plant height, time of leaf formation, number of leaf, leaf length, number of root, root length, and percentage of dead explant. The results obtained from this observation were (1) the provenance significantly affected the time of leaf formation, number of root, root length, and percentage of explant explant, (2) the combination of PGR significantly affected the number of roots and root length, (3) the interaction between PGR and provenance was of a significant effect on the root length, (4) The combination of 1 ppm IBA and 0.5 ppm TDZ showed the best PGR in increasing the root length, (5) combination of 3 ppm IBA and 0.5 ppm TDZ increased the number of root, and (6) Sidrap Provenance was the best PGR based on the number of roots, root length and low mortality rate.
Black rice mutant strain selection results of M3 generation mutation breeding
Authors: Putra M M , Riadi M , Sjahril R
Published: May 2020

Local rice is germplasm which has great potential to be developed in meeting food needs in Indonesia. Black rice is known to have great health benefits but in general has a weakness in low yields. Therefore, research is needed to overcome this weakness. This study aims to determine the effect of heavy ion beam irradiation on production yields per hectare of the black rice mutant lines of the M3 generation. The experiment was carried out for 6 months using 50 strains of black rice mutants obtained from the M2 generation plus 1 negative control and 1 positive control. Based on the results of the coefficient analysis on the observed characters, there are potential and effective characters to be developed in the next M4 generation of black rice, namely the number of grains per panicle, panicle density, panicle length, percentage of filled grains per panicle and 100 grains weight.
Hybrid maize genotypes test cross performance on agronomic traits
Authors: Andayani N N , Nur Amin , Aqil M , Efendi Roy , Azrai M
Published: May 2020

Maize production in Indonesia has increased significantly in the last five years. Various programs have been introduced by the government to support maize cropping system and increase yield per ha. In order to obtain a suitable hybrid combination, improvement of breeding program is obligatory. The objectives of the research were to determine the combining ability between lines and testers, and to evaluate the performance of crosses for agronomic component traits. Six inbred lines were test crossed with two male testers using line x tester mating design. Randomized complete block design was used as an experimental design with three replications at three locations in Indonesia. Results indicate that inbred line MYL7 had a positive and significant GCA effects for days to silking, maturity, ear diameter. Test cross MYL7×MAL01 had positive and significant SCA effect for ear length, MYL15×MAL01 for 1000-seed weight, and MYL10×MR14 for days to silking. Depend on the purpose of breeding program, each superior combination can be further explored for a specific use.