bluuebunny/crossref_metadata_2025_split huggingface dataset:
Diversity oriented Deep Reinforcement Learning for targeted molecule generation
Authors: Pereira Tiago , Abbasi Maryam , Ribeiro Bernardete , Arrais Joel P. 
Published: March 2021

AbstractIn this work, we explore the potential of deep learning to streamline the process of identifying new potential drugs through the computational generation of molecules with interesting biological properties. Two deep neural networks compose our targeted generation framework: the Generator, which is trained to learn the building rules of valid molecules employing SMILES strings notation, and the Predictor which evaluates the newly generated compounds by predicting their affinity for the desired target. Then, the Generator is optimized through Reinforcement Learning to produce molecules with bespoken properties. The innovation of this approach is the exploratory strategy applied during the reinforcement training process that seeks to add novelty to the generated compounds. This training strategy employs two Generators interchangeably to sample new SMILES: the initially trained model that will remain fixed and a copy of the previous one that will be updated during the training to uncover the most promising molecules. The evolution of the reward assigned by the Predictor determines how often each one is employed to select the next token of the molecule. This strategy establishes a compromise between the need to acquire more information about the chemical space and the need to sample new molecules, with the experience gained so far. To demonstrate the effectiveness of the method, the Generator is trained to design molecules with an optimized coefficient of partition and also high inhibitory power against the Adenosine $$A_{2A}$$

A

2
A

and $$\kappa$$
κ
opioid receptors. The results reveal that the model can effectively adjust the newly generated molecules towards the wanted direction. More importantly, it was possible to find promising sets of unique and diverse molecules, which was the main purpose of the newly implemented strategy.
Impact of contouring methods on pre-treatment and post-treatment dosimetry for the prediction of tumor control and survival in HCC patients treated with selective internal radiation therapy
Authors: Nodari Guillaume , Popoff Romain , Riedinger Jean Marc , Lopez Olivier , Pellegrinelli Julie , Dygai-Cochet Inna , Tabouret-Viaud Claire , Presles Benoit , Chevallier Olivier , Gehin Sophie , Gallet Matthieu , Latournerie Marianne , Manfredi Sylvain , Loffroy Romaric , Vrigneaud Jean Marc , Cochet Alexandre 
Published: March 2021

Abstract
Introduction
The aim of this study was to evaluate the impact of the contouring methods on dose metrics and their predictive value on tumor control and survival, in both situations of pre-treatment and post-treatment dosimetry, for patients with advanced HCC treated with SIRT.

Methods
Forty-eight patients who underwent SIRT between 2012 and 2020 were retrospectively included in this study. Target volumes were delineated using two methods: MRI-based contours manually drawn by a radiologist and then registered on SPECT/CT and PET/CT via deformable registration (Pre-CMRI and Post-CMRI), 99mTc-MAA-SPECT and 90Y-microspheres-PET 10% threshold contouring (Pre-CSPECT and Post-CPET). The mean absorbed dose (Dm) and the minimal absorbed dose delivered to 70% of the tumor volume (D70) were evaluated with both contouring methods; the tumor-to-normal liver uptake ratio (TNR) was evaluated with MRI-based contours only. Tumor response was assessed using the mRECIST criteria on the follow-up MRIs.

Results
No significant differences were found for Dm and TNR between pre- and post-treatment. TNR evaluated with radiologic contours (Pre-CMRI and Post-CMRI) were predictive of tumor control at 6 months on pre- and post-treatment dosimetry (OR 5.9 and 7.1, respectively; p = 0.02 and 0.01). All dose metrics determined with both methods were predictive of overall survival (OS) on pre-treatment dosimetry, but only Dm with MRI-based contours was predictive of OS on post-treatment images with a median of 23 months for patients with a supramedian Dm versus 14 months for the others (p = 0.04).

Conclusion
In advanced HCC treated with SIRT, Dm and TNR determined with radiologic contours were predictive of tumor control and OS. This study shows that a rigorous clinical workflow (radiologic contours + registration on scintigraphic images) is feasible and should be prospectively considered for improving therapeutic strategy.
Research on energy-efficient routing algorithm based on SWIPT in multi-hop clustered WSN for 5G system
Authors: Han Shu , Liu Xiao-ming , Huang Hong-yu , Wang Fei , Zhong Yuan-hong 
Published: March 2021

AbstractAs one of the basic supporting technologies of 5G system, wireless sensor networks technology is facing a new challenge to improve its transmission energy efficiency. This paper considers combining simultaneous wireless information and power transfer (SWIPT) technique and routing technique, and applying them to multi-hop clustered wireless sensor networks (MCWSN), where each node can decode information and harvest energy from a received radio-frequency signal. And the relay nodes in MCWSN can utilize the harvest energy to forward data to their next hop nodes according to the routing scheme. First, we formulate an energy-efficient routing problem of MCWSN with SWIPT. Then, a heuristic energy efficient cooperative SWIPT routing algorithm (EECSR) is presented to find a transmission path with the maximum energy efficiency. Specifically, in EECSR, the resource allocation problem in each hop of the path is transformed to some equivalent convex optimization problems, which are resolved via dual decomposition. Moreover, a distributed routing protocol based on EECSR is proposed. As far as we know, this is the first solution that considers energy efficiency optimization based on routing and SWIPT in MCWSN. Simulation results show that our EECSR algorithm has high energy efficiency and good robustness. And our distributed routing protocol has better real-time performance than traditional protocols.
Integral transforms for logharmonic mappings
Authors: Arbeláez Hugo , Bravo Víctor , Hernández Rodrigo , Sierra Willy , Venegas Osvaldo 
Published: March 2021

AbstractBieberbach’s conjecture was very important in the development of geometric function theory, not only because of the result itself, but also due to the large amount of methods that have been developed in search of its proof. It is in this context that the integral transformations of the type $f_{\alpha }(z)=\int _{0}^{z}(f(\zeta )/\zeta )^{\alpha }\,d\zeta $

f
α

(
z
)
=

∫
0
z

(
f
(
ζ
)
/
ζ
)

α

d
ζ
or $F_{\alpha }(z)=\int _{0}^{z}(f'(\zeta ))^{\alpha }\,d\zeta $

F
α

(
z
)
=

∫
0
z

(

f
′

(
ζ
)
)

α

d
ζ
appear. In this note we extend the classical problem of finding the values of $\alpha \in \mathbb{C}$
α
∈
C
for which either $f_{\alpha }$

f
α

or $F_{\alpha }$

F
α

are univalent, whenever f belongs to some subclasses of univalent mappings in $\mathbb{D}$
D
, to the case of logharmonic mappings by considering the extension of the shear construction introduced by Clunie and Sheil-Small in (Clunie and Sheil-Small in Ann. Acad. Sci. Fenn., Ser. A I 9:3–25, 1984) to this new scenario.
Investigation on dynamics of an impulsive predator–prey system with generalized Holling type IV functional response and anti-predator behavior
Authors: Sirisubtawee Sekson , Khansai Nattawut , Charoenloedmongkhon Akapak 
Published: March 2021

AbstractIn the present article, we propose and analyze a new mathematical model for a predator–prey system including the following terms: a Monod–Haldane functional response (a generalized Holling type IV), a term describing the anti-predator behavior of prey populations and one for an impulsive control strategy. In particular, we establish the existence condition under which the system has a locally asymptotically stable prey-eradication periodic solution. Violating such a condition, the system turns out to be permanent. Employing bifurcation theory, some conditions, under which the existence and stability of a positive periodic solution of the system occur but its prey-eradication periodic solution becomes unstable, are provided. Furthermore, numerical simulations for the proposed model are given to confirm the obtained theoretical results.
Implementation facilitation to introduce and support emergency department-initiated buprenorphine for opioid use disorder in high need, low resource settings: protocol for multi-site implementation-feasibility study
Authors: McCormack Ryan P. , Rotrosen John , Gauthier Phoebe , D’Onofrio Gail , Fiellin David A. , Marsch Lisa A. , Novo Patricia , Liu David , Edelman E. Jennifer , Farkas Sarah , Matthews Abigail G. , Mulatya Caroline , Salazar Dagmar , Wolff Jeremy , Knight Randolph , Goodman William , Hawk Kathryn 
Published: March 2021

Abstract
Background
For many reasons, the emergency department (ED) is a critical venue to initiate OUD interventions. The prevailing culture of the ED has been that substance use disorders are non-emergent conditions better addressed outside the ED where resources are less constrained. This study, its rapid funding mechanism, and accelerated timeline originated out of the urgent need to learn whether ED-initiated buprenorphine (BUP) with referral for treatment of OUD is generalizable, as well as to develop strategies to facilitate its adoption across a variety of ED settings and under real-world conditions. It both complements and uses methods adapted from Project ED Health (CTN-0069), a Hybrid Type 3 implementation-effectiveness study of using Implementation Facilitation (IF) to integrate ED-initiated BUP and referral programs.

Methods
ED-CONNECT (CTN 0079) was a three-site implementation study exploring the feasibility, acceptability, and impact of introducing ED-initiated BUP in rural and urban settings with high-need, limited resources, and different staffing structures. We used a multi-faceted approach to develop, introduce and iteratively refine site-specific ED clinical protocols and implementation plans for opioid use disorder (OUD) screening, ED-initiated BUP, and referral for treatment. We employed a participatory action research approach and use mixed methods incorporating data derived from abstraction of medical records and administrative data, assessments of recruited ED patient-participants, and both qualitative and quantitative inquiry involving staff from the ED and community, patients, and other stakeholders.

Discussion
This study was designed to provide the necessary, time-sensitive understanding of how to identify OUD and initiate treatment with BUP in the EDs previously not providing ED-initiated BUP, in communities in which this intervention is most needed: high need, low resource settings.
Trial registration: The study was prospectively registered on ClinicalTrials.gov (NCT03544112) on June 01, 2018: https://clinicaltrials.gov/ct2/show/NCT03544112.
“Non-timber forest products and climate change adaptation among forest dependent communities in Bamboko forest reserve, southwest region of Cameroon”
Authors: Tieminie Robinson Nghogekeh , Loh Chia Eugene , Tieguhong Julius Chepezi , Nghobuoche Manyiadieh Frankline , Mandiefe Piabuo Serge , Tieguhong Mamboh Rolland 
Published: March 2021

Abstract
Background
Forests are naturally endowed to combat climate change by protecting people and livelihoods as well as creating a base for sustainable economic and social development. But this natural mechanism is often hampered by anthropogenic activities. It is therefore imperative to take measures that are environmentally sustainable not only for mitigation but also for its adaptation. This study was carried out to assess the role of Non-timber forest products (NTFPs) as an adaptation strategy based on local perception to cope with the impacts of climate change among forest-dependent communities around the Bamkoko Forest Reserve in the South West Region of Cameroon.

Methods
Datasets were collected through household questionnaires (20% of the population in each village that constitute the study site was sample), participatory rural appraisal techniques, transect walks in the 4 corners of the Bamboko Forest Reserve with a square sample of 25 m2 × 25 m2 to identified and record NTFPs in the reserve,and direct field observations.). Both qualitative and quantitative (statistics) methods were used to analyze the collected data.

Results
A total of 18 plant species were identified as being harvested as Non Timber Forest Products by the residents around Bamkoko Forest Reserve. The majority of the respondents (88%) perceived that there has been a change in climate patterns due to increased temperatures and unpredictable rainfalls. Eru was the most affected NTFPs with a standard deviation of 1.66799 and agricultural crops was the most affected livelihood activity by climate change around Bamboko Forest Reserve with a standard deviation of 1.20459 and local population used more than one strategy to cope with these adverse effects

Conclusions
The study concluded that with the increasing climate change effects on crop production and other livelihoods, non-timber forest products still play a safety net role to assist communities. The need to ensure sustainable harvesting, improved processing, and access to non-timber forest products markets cannot be over-emphasized.
Probing 3-D electrical conductivity of the mantle using 6 years of Swarm, CryoSat-2 and observatory magnetic data and exploiting matrix Q-responses approach
Authors: Kuvshinov Alexey , Grayver Alexander , Tøffner-Clausen Lars , Olsen Nils 
Published: March 2021

AbstractThis study presents results of mapping three-dimensional (3-D) variations of the electrical conductivity in depths ranging from 400 to 1200 km using 6 years of magnetic data from the Swarm and CryoSat-2 satellites as well as from ground observatories. The approach involves the 3-D inversion of matrix Q-responses (transfer functions) that relate spherical harmonic coefficients of external (inducing) and internal (induced) origin of the magnetic potential. Transfer functions were estimated from geomagnetic field variations at periods ranging from 2 to 40 days. We study the effect of different combinations of input data sets on the transfer functions. We also present a new global 1-D conductivity profile based on a joint analysis of satellite tidal signals and global magnetospheric Q-responses.
The ionospheric condition and GPS positioning performance during the 2013 tropical cyclone Usagi event in the Hong Kong region
Authors: Yu Shiwei , Liu Zhizhao 
Published: March 2021

AbstractThe ionosphere plays a critical role in the electromagnetic waves in communication systems such as the global positioning system (GPS). However, it is suspected that the strong convection during the tropical cyclone (TC) events can be a trigger to anomalous electron density variation in the ionosphere. This study analyzed the variation of three ionosphere-related parameters based on the GPS data including scintillation index S4, cycle slips, and total electron content (TEC) rate (TECR) during the tropical cyclone event (the 2013 TC Usagi) in the Hong Kong region. The results showed that the ionosphere-related parameters had a consistent significant increase on the second day after the Usagi made landfall near Hong Kong. Consequently, the positioning performance of GPS precise point positioning (PPP) and relative positioning modes was degraded. The degradation was ~ 138%, ~ 181%, and ~ 460% in the east (root mean square (RMS) 0.050 m), north (RMS 0.045 m), and up (RMS 0.185 m), respectively, compared with the RMS of 0.021 m in the east, 0.016 m in the north, and 0.033 m in the up on the normal day. Regarding the relative positioning, the positioning errors in the east (RMS 0.134 m) and north (RMS 0.118 m) directions were ~ 7.1 and ~ 7.9 times, respectively, as large as the RMS of 0.019 m in the east and 0.015 m in the north on the normal day. The positioning errors in the up (RMS 0.513 m) direction were ~ 12.2 times larger than the RMS of 0.042 m on the normal day.
Full methylation of H3K27 by PRC2 is dispensable for initial embryoid body formation but required to maintain differentiated cell identity
Authors: Miller Sara A. , Damle Manashree , Kim Jongmin , Kingston Robert E. 
Published: March 2021

ABSTRACT
Polycomb repressive complex 2 (PRC2) catalyzes methylation of histone H3 on lysine 27 and is required for normal development of complex eukaryotes. The nature of that requirement is not clear. H3K27me3 is associated with repressed genes, but the modification is not sufficient to induce repression and, in some instances, is not required. We blocked full methylation of H3K27 with both a small molecule inhibitor, GSK343, and by introducing a point mutation into EZH2, the catalytic subunit of PRC2, in the mouse CJ7 cell line. Cells with substantively decreased H3K27 methylation differentiate into embryoid bodies, which contrasts with EZH2 null cells. PRC2 targets had varied requirements for H3K27me3, with a subset that maintained normal levels of repression in the absence of methylation. The primary cellular phenotype of blocked H3K27 methylation was an inability of altered cells to maintain a differentiated state when challenged. This phenotype was determined by H3K27 methylation in embryonic stem cells through the first 4 days of differentiation. Full H3K27 methylation therefore was not necessary for formation of differentiated cell states during embryoid body formation but was required to maintain a stable differentiated state.
Electrostatic plasma membrane targeting contributes to Dlg function in cell polarity and tumorigenesis
Authors: Lu Juan , Dong Wei , Tao Yan , Hong Yang 
Published: March 2021

ABSTRACT
Discs large (Dlg) is an essential polarity protein and a tumor suppressor originally characterized in Drosophila but also well conserved in vertebrates. Like the majority of polarity proteins, plasma membrane (PM)/cortical localization of Dlg is required for its function in polarity and tumorigenesis, but the exact mechanisms targeting Dlg to the PM remain to be fully elucidated. Here, we show that, similar to recently discovered polybasic polarity proteins such as Lgl and aPKC, Dlg also contains a positively charged polybasic domain that electrostatically binds the PM phosphoinositides PI4P and PI(4,5)P2. Electrostatic targeting by the polybasic domain contributes significantly to the PM localization of Dlg in follicular and early embryonic epithelial cells, and is crucial for Dlg to regulate both polarity and tumorigenesis. The electrostatic PM targeting of Dlg is controlled by a potential phosphorylation-dependent allosteric regulation of its polybasic domain, and is specifically enhanced by the interactions between Dlg and another basolateral polarity protein and tumor suppressor, Scrib. Our studies highlight an increasingly significant role of electrostatic PM targeting of polarity proteins in regulating cell polarity.
Spatial, but not temporal, aspects of orientation are controlled by the fine-scale distribution of chemical cues in turbulent odor plumes
Authors: Moore Paul A. , Edwards David , Jurcak-Detter Ana , Lahman Sara 
Published: March 2021

ABSTRACT
Orientation within turbulent odor plumes occurs across a vast range of spatial and temporal scales. From salmon homing across featureless oceans to microbes forming reproductive spores, the extraction of spatial and temporal information from chemical cues is a common sensory phenomenon. Yet, given the difficulty of quantifying chemical cues at the spatial and temporal scales used by organisms, discovering what aspects of chemical cues control orientation behavior has remained elusive. In this study, we placed electrochemical sensors on the carapace of orienting crayfish and measured, with fast temporal rates and small spatial scales, the concentration fluctuations arriving at the olfactory appendages during orientation. Our results show that the spatial aspects of orientation (turning and heading angles) are controlled by the temporal aspects of odor cues.
Mitochondrial physiology and responses to elevated hydrogen sulphide in two isogenic lineages of an amphibious mangrove fish
Authors: Martin Keri E. , Currie Suzanne , Pichaud Nicolas 
Published: March 2021

ABSTRACT
Hydrogen sulphide (H2S) is toxic and can act as a selective pressure on aquatic organisms, facilitating a wide range of adaptations for life in sulphidic environments. Mangrove rivulus (Kryptolebias marmoratus) inhabit mangrove swamps and have developed high tolerance to environmental H2S. They are hermaphroditic and can self-fertilize, producing distinct isogenic lineages with different sensitivity to H2S. Here, we tested the hypothesis that observed differences in responses to H2S are the result of differences in mitochondrial functions. For this purpose, we performed two experimental series, testing (1) the overall mitochondrial oxidizing capacities and (2) the kinetics of apparent H2S mitochondrial oxidation and inhibition in two distinct lineages of mangrove rivulus, originally collected from Belize and Honduras. We used permeabilized livers from both lineages, measured mitochondrial oxidation, and monitored changes during gradual increases of sulphide. Ultimately, we determined that each lineage has a distinct strategy for coping with elevated H2S, indicating divergences in mitochondrial function and metabolism. The Honduras lineage has higher anaerobic capacity substantiated by higher lactate dehydrogenase activity and higher apparent H2S oxidation rates, likely enabling them to tolerate H2S by escaping aquatic H2S in a terrestrial environment. However, Belize fish have increased cytochrome c oxidase and citrate synthase activities as well as increased succinate contribution to mitochondrial respiration, allowing them to tolerate higher levels of aquatic H2S without inhibition of mitochondrial oxygen consumption. Our study reveals distinct physiological strategies in genetic lineages of a single species, indicating possible genetic and/or functional adaptations to sulphidic environments at the mitochondrial level.