bluuebunny/crossref_metadata_2025_split huggingface dataset:
Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants
Authors: Guedes Isabella A. , Costa Leon S. C. , dos Santos Karina B. , Karl Ana L. M. , Rocha Gregório K. , Teixeira Iury M. , Galheigo Marcelo M. , Medeiros Vivian , Krempser Eduardo , Custódio Fábio L. , Barbosa Helio J. C. , Nicolás Marisa F. , Dardenne Laurent E. 
Published: March 2021

AbstractThe COVID-19 caused by the SARS-CoV-2 virus was declared a pandemic disease in March 2020 by the World Health Organization (WHO). Structure-Based Drug Design strategies based on docking methodologies have been widely used for both new drug development and drug repurposing to find effective treatments against this disease. In this work, we present the developments implemented in the DockThor-VS web server to provide a virtual screening (VS) platform with curated structures of potential therapeutic targets from SARS-CoV-2 incorporating genetic information regarding relevant non-synonymous variations. The web server facilitates repurposing VS experiments providing curated libraries of currently available drugs on the market. At present, DockThor-VS provides ready-for-docking 3D structures for wild type and selected mutations for Nsp3 (papain-like, PLpro domain), Nsp5 (Mpro, 3CLpro), Nsp12 (RdRp), Nsp15 (NendoU), N protein, and Spike. We performed VS experiments of FDA-approved drugs considering the therapeutic targets available at the web server to assess the impact of considering different structures and mutations to identify possible new treatments of SARS-CoV-2 infections. The DockThor-VS is freely available at www.dockthor.lncc.br.
The impact of facemasks on emotion recognition, trust attribution and re-identification
Authors: Marini Marco , Ansani Alessandro , Paglieri Fabio , Caruana Fausto , Viola Marco 
Published: March 2021

AbstractCovid-19 pandemics has fostered a pervasive use of facemasks all around the world. While they help in preventing infection, there are concerns related to the possible impact of facemasks on social communication. The present study investigates how emotion recognition, trust attribution and re-identification of faces differ when faces are seen without mask, with a standard medical facemask, and with a transparent facemask restoring visual access to the mouth region. Our results show that, in contrast to standard medical facemasks, transparent masks significantly spare the capability to recognize emotional expressions. Moreover, transparent masks spare the capability to infer trustworthiness from faces with respect to standard medical facemasks which, in turn, dampen the perceived untrustworthiness of faces. Remarkably, while transparent masks (unlike standard masks) do not impair emotion recognition and trust attribution, they seemingly do impair the subsequent re-identification of the same, unmasked, face (like standard masks). Taken together, this evidence supports a dissociation between mechanisms sustaining emotion and identity processing. This study represents a pivotal step in the much-needed analysis of face reading when the lower portion of the face is occluded by a facemask.
A network meta-analysis of the dose–response effects of lurasidone on acute schizophrenia
Authors: Srisurapanont Manit , Suttajit Sirijit , Likhitsathian Surinporn , Maneeton Benchalak , Maneeton Narong 
Published: March 2021

AbstractWe compared the efficacy, safety, and acceptability of lurasidone at different doses to establish the dose–response relationships of lurasidone therapeutic and adverse effects in acute schizophrenia. Included trials were 4- to 16-week, fixed-dose, randomized controlled trials of lurasidone in adults with acute schizophrenia. Different doses of lurasidone, other antipsychotics, and placebo were considered as independent treatments. Apart from all-cause dropout rates, four therapeutic and four adverse outcomes were included in the frequentist network meta-analysis (NMA). Lurasidone 160, 120, 80, 40, and 20 mg/day were studied in ten trials of 3,366 adults with schizophrenia exacerbation. Lurasidone 160 mg/day reduced Positive and Negative Syndrome Scale (PANSS) total scores significantly more than lurasidone 120, 80, 40, and 20 mg/day (mean differences = − 7.63, − 7.04, − 8.83, and − 12.25, respectively). All-cause dropout rates were significantly lower in participants receiving lurasidone 160 mg/day and 80 mg/day compared with those taking placebo. The half-maximal effective doses of lurasidone for PANSS total, PANSS positive, and MADRS score reductions were higher than 80 mg/day. The confidence of all NMA estimates was low or very low. Lurasidone 160 mg/day is currently the most efficacious and acceptable dose for acute schizophrenia. Its maximal effective doses may be higher than 160 mg/day.
Blockade of SARS-CoV-2 spike protein-mediated cell–cell fusion using COVID-19 convalescent plasma
Authors: Wang Ling , Zhao Juan , Nguyen Lam N. T. , Adkins James L. , Schank Madison , Khanal Sushant , Nguyen Lam N. , Dang Xindi , Cao Dechao , Thakuri Bal Krishna Chand , Lu Zeyuan , Zhang Jinyu , Zhang Yi , Wu Xiao Y. , El Gazzar Mohamed , Ning Shunbin , Moorman Jonathan P. , Yao Zhi Q. 
Published: March 2021

AbstractThe recent COVID-19 pandemic poses a serious threat to global public health, thus there is an urgent need to define the molecular mechanisms involved in SARS-CoV-2 spike (S) protein-mediated virus entry that is essential for preventing and/or treating this emerging infectious disease. In this study, we examined the blocking activity of human COVID-19 convalescent plasma by cell–cell fusion assays using SARS-CoV-2-S-transfected 293 T as effector cells and ACE2-expressing 293 T as target cells. We demonstrate that the SARS-CoV-2 S protein exhibits a very high capacity for membrane fusion and is efficient in mediating virus fusion and entry into target cells. Importantly, we find that COVID-19 convalescent plasma with high titers of IgG neutralizing antibodies can block cell–cell fusion and virus entry by interfering with the SARS-CoV-2-S/ACE2 or SARS-CoV-S/ACE2 interactions. These findings suggest that COVID-19 convalescent plasma may not only inhibit SARS-CoV-2-S but also cross-neutralize SARS-CoV-S-mediated membrane fusion and virus entry, supporting its potential as a preventive and/or therapeutic agent against SARS-CoV-2 as well as other SARS-CoV infections.
Interferometric measurements of refractive index and dispersion at high pressure
Authors: Kim Yong-Jae , Celliers Peter M. , Eggert Jon H. , Lazicki Amy , Millot Marius 
Published: March 2021

AbstractWe describe a high precision interferometer system to measure the pressure dependence of the refractive index and its dispersion in the diamond anvil cell (DAC). The reflective Fabry–Perot fringe patterns created by both a white light and a monochromatic beam are recorded to determine both the sample thickness and its index at the laser wavelength and to characterize the dispersion in the visible range. Advances in sample preparation, optical setup, and data analysis enable us to achieve $$10^{-4}$$

10

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4

random uncertainty, demonstrated with an air sample, a factor of five improvement over the best previous DAC measurement. New data on $${\text{H}}_{2}\text{O}$$

H
2

O

liquid water and ice VI up to 2.21 GPa at room temperature illustrate how higher precision measurements of the index and its optical dispersion open up new opportunities to reveal subtle changes in the electronic structure of water at high pressure.
Preliminary study on the influencing factors of shear wave elastography for peripheral nerves in healthy population
Authors: Tang Xinyi , Zhu Bihui , Tian Mei , Guo Ruiqian , Huang Songya , Tang Yuanjiao , Qiu Li 
Published: March 2021

AbstractThis study took shear wave elastography (SWE) technology to measure the shear wave velocity (SWV) of peripheral nerve in healthy population, which represents the stiffness of the peripheral nerves, and research whether these parameters (location, age, sex, body mass index (BMI), the thickness and cross-sectional area(CSA) of the nerve) would affect the stiffness of the peripheral nerves. 105 healthy volunteers were enrolled in this study. We recorded the genders and ages of these volunteers, measured height and weight, calculated BMI, measured nerve thickness and CSA using high-frequency ultrasound (HFUS), and then, we measured and compared the SWV of the right median nerve at the middle of the forearm and at the proximal entrance of the carpal tunnel. The SWV of the median nerve of the left side was measured to explore whether there exist differences of SWV in bilateral median nerve. Additionally, we also measured the SWV of the right tibial nerve at the ankle canal to test whether there is any difference in shear wave velocity between different peripheral nerves. This study found that there existed significant differences of SWV between different sites in one nerve and between different peripheral nerves. No significant difference was found in SWV between bilateral median nerves. Additionally, the SWV of peripheral nerves was associated with gender, while not associated with age or BMI. The mean SWV of the studied male volunteers in median nerve were significantly higher than those of female (p < 0.05). Peripheral nerve SWE measurement in healthy people is affected by different sites, different nerves and genders, and not associated with age, BMI, nerve thickness or CSA.
Antibody isotype diversity against SARS-CoV-2 is associated with differential serum neutralization capacities
Authors: Noval Maria G. , Kaczmarek Maria E. , Koide Akiko , Rodriguez-Rodriguez Bruno A. , Louie Ping , Tada Takuya , Hattori Takamitsu , Panchenko Tatyana , Romero Larizbeth A. , Teng Kai Wen , Bazley Andrew , de Vries Maren , Samanovic Marie I. , Weiser Jeffrey N. , Aifantis Ioannis , Cangiarella Joan , Mulligan Mark J. , Desvignes Ludovic , Dittmann Meike , Landau Nathaniel R. , Aguero-Rosenfeld Maria , Koide Shohei , Stapleford Kenneth A. 
Published: March 2021

AbstractUnderstanding antibody responses to SARS-CoV-2 is indispensable for the development of containment measures to overcome the current COVID-19 pandemic. Recent studies showed that serum from convalescent patients can display variable neutralization capacities. Still, it remains unclear whether there are specific signatures that can be used to predict neutralization. Here, we performed a detailed analysis of sera from a cohort of 101 recovered healthcare workers and we addressed their SARS-CoV-2 antibody response by ELISA against SARS-CoV-2 Spike receptor binding domain and nucleoprotein. Both ELISA methods detected sustained levels of serum IgG against both antigens. Yet, the majority of individuals from our cohort generated antibodies with low neutralization capacity and only 6% showed high neutralizing titers against both authentic SARS-CoV-2 virus and the Spike pseudotyped virus. Interestingly, higher neutralizing sera correlate with detection of -IgG, IgM and IgA antibodies against both antigens, while individuals with positive IgG alone showed poor neutralization response. These results suggest that having a broader repertoire of antibodies may contribute to more potent SARS-CoV-2 neutralization. Altogether, our work provides a cross sectional snapshot of the SARS-CoV-2 neutralizing antibody response in recovered healthcare workers and provides preliminary evidence that possessing multiple antibody isotypes can play an important role in predicting SARS-CoV-2 neutralization.
Accurate prediction of birth implementing a statistical model through the determination of steroid hormones in saliva
Authors: Alonso Silvia , Cáceres Sara , Vélez Daniel , Sanz Luis , Silvan Gema , Illera Maria Jose , Illera Juan Carlos 
Published: March 2021

AbstractSteroidal hormone interaction in pregnancy is crucial for adequate fetal evolution and preparation for childbirth and extrauterine life. Estrone sulphate, estriol, progesterone and cortisol play important roles in the initiation of labour mechanism at the start of contractions and cervical effacement. However, their interaction remains uncertain. Although several studies regarding the hormonal mechanism of labour have been reported, the prediction of date of birth remains a challenge. In this study, we present for the first time machine learning algorithms for the prediction of whether spontaneous labour will occur from week 37 onwards. Estrone sulphate, estriol, progesterone and cortisol were analysed in saliva samples collected from 106 pregnant women since week 34 by enzyme-immunoassay (EIA) techniques. We compared a random forest model with a traditional logistic regression over a dataset constructed with the values observed of these measures. We observed that the results, evaluated in terms of accuracy and area under the curve (AUC) metrics, are sensibly better in the random forest model. For this reason, we consider that machine learning methods contribute in an important way to the obstetric practice.
Poldip2 controls leukocyte infiltration into the ischemic brain by regulating focal adhesion kinase-mediated VCAM-1 induction
Authors: Eidson Lori N. , Gao Qingzeng , Qu Hongyan , Kikuchi Daniel S. , Campos Ana Carolina P. , Faidley Elizabeth A. , Sun Yu-Yo , Kuan Chia-Yi , Pagano Rosana L. , Lassègue Bernard , Tansey Malú G. , Griendling Kathy K. , Hernandes Marina S. 
Published: March 2021

AbstractStroke is a multiphasic process involving a direct ischemic brain injury which is then exacerbated by the influx of immune cells into the brain tissue. Activation of brain endothelial cells leads to the expression of adhesion molecules such vascular cell adhesion molecule 1 (VCAM-1) on endothelial cells, further increasing leukocyte recruitment. Polymerase δ-interacting protein 2 (Poldip2) promotes brain vascular inflammation and leukocyte recruitment via unknown mechanisms. This study aimed to define the role of Poldip2 in mediating vascular inflammation and leukocyte recruitment following cerebral ischemia. Cerebral ischemia was induced in Poldip2+/+ and Poldip2+/− mice and brains were isolated and processed for flow cytometry or RT-PCR. Cultured rat brain microvascular endothelial cells were used to investigate the effect of Poldip2 depletion on focal adhesion kinase (FAK)-mediated VCAM-1 induction. Poldip2 depletion in vivo attenuated the infiltration of myeloid cells, inflammatory monocytes/macrophages and decreased the induction of adhesion molecules. Focusing on VCAM-1, we demonstrated mechanistically that FAK activation was a critical intermediary in Poldip2-mediated VCAM-1 induction. In conclusion, Poldip2 is an important mediator of endothelial dysfunction and leukocyte recruitment. Thus, Poldip2 could be a therapeutic target to improve morbidity following ischemic stroke.
Comparative study between minimally invasive supraorbital craniotomy and pterional craniotomy for treating anterior circulation cerebral aneurysms in a low-resource setting
Authors: Fonseca Ricardo Brandão , Correia Alyne Oliveira , Vieira Raysa Siqueira , dos Santos José Erivaldo Fonseca , Alves-Neto Heverty Rocha , da Silva Vieira Anajara Ferraz , Belém Diego Ramon Ferreira , Tobias-Machado Marcos , Vidal Claudio Henrique Fernandes , Waisberg Jaques 
Published: March 2021

AbstractThe challenges encountered in performing minimally invasive approaches, such as supraorbital minicraniotomy (SOMC), in services without adequate equipment are rarely reported in the literature. This study analyzes the viability of SOMC in the treatment of cerebral aneurysms, using exactly the same resources as pterional craniotomy (PC). The results of these two techniques are compared. 35 patients underwent SOMC, compared to 50 patients underwent CP (100 aneurysms in total), using the same microsurgical instruments. The following variables were compared: operative time, angiographic cure, length of intensive care unit stay during the post-operative period, surgical complications, length of hospital stay after surgery until hospital discharge, intraoperative aneurysm rupture, aesthetic satisfaction with the scar, and neurological status at discharge. SOMC had a significantly shorter operative time in relation to PC (213.9 ± 11.09 min and 268.6 ± 15.44 min, respectively) (p = 0.0081).With respect to the cosmetic parameters assessed by the Visual Analog Scale, the average for SOMC was 94.12 ± 1.92 points, and the average for PC was 83.57 ± 4.75 points (p = 0.036). SOMC was as effective as PC in relation to successful aneurysm clipping (p = 0.77). The SOMC technique did not show advantages over PC in any other variable. Even in a general neurosurgery service lacking a specific structure for minimally invasive surgeries, SOMC was feasible and effective for treating intracranial aneurysms, using the same set of microsurgical instruments used for PC, obtaining better results in operating time and cosmetic satisfaction.
Stable isotope and chemical inhibition analyses suggested the existence of a non-mevalonate-like pathway in the yeast Yarrowia lipolytica
Authors: Dissook Sivamoke , Kuzuyama Tomohisa , Nishimoto Yuri , Kitani Shigeru , Putri Sastia , Fukusaki Eiichiro 
Published: March 2021

AbstractMethyl erythritol phosphate (MEP) is the metabolite found in the MEP pathway for isoprenoid biosynthesis, which is known to be utilized by plants, algae, and bacteria. In this study, an unprecedented observation was found in the oleaginous yeast Yarrowia lipolytica, in which one of the chromatographic peaks was annotated as MEP when cultivated in the nitrogen limiting condition. This finding raised an interesting hypothesis of whether Y. lipolytica utilizes the MEP pathway for isoprenoid biosynthesis or not, because there is no report of yeast harboring the MEP pathway. Three independent approaches were used to investigate the existence of the MEP pathway in Y. lipolytica; the spiking of the authentic standard, the MEP pathway inhibitor, and the 13C labeling incorporation analysis. The study suggested that the mevalonate and MEP pathways co-exist in Y. lipolytica and the nitrogen limiting condition triggers the utilization of the MEP pathway in Y. lipolytica.
Using mobile phone data to examine weather impacts on recreational ecosystem services in an urban protected area
Authors: Jaung Wanggi , Carrasco L. Roman 
Published: March 2021

AbstractMobile phone big data can offer new opportunities for identifying weather impacts on recreational ecosystem services in protected areas. This could be useful to assess how climate change could affect recreational ecosystem services. To explore these opportunities, we utilize mobile phone data and examine impacts of tropical weather (temperature, rainfall, and wind) and holidays on visitor numbers and stay time in an urban protected area in Singapore. These impacts were analyzed by visitors’ home regions and ethnic groups as well. The study results showed that rising temperatures below 31.7 °C had positive impacts on visitor numbers, in contrast to the common perception that cooler temperatures would be always preferred for outdoor activities in a tropical region. Meanwhile, these rising temperatures reduced visitor stay time in the protected area. Rain and wind had limited impacts on visitors. Compared to the weather variables, holidays had bigger impacts on visitors, particularly the Chinese group and those visitors living not close to the protected area. The study results highlight several advantages of mobile phone data application to analyzing weather impacts on public use of urban protected areas.
Ultrasound-irradiated synthesis of 3-mercaptopropyl trimethoxysilane-modified hydroxyapatite derived from fish-scale residues followed by ultrasound-assisted organic dyes removal
Authors: Sricharoen Phitchan , Kongsri Supalak , Kukusamude Chunyapuk , Areerob Yonrapach , Nuengmatcha Prawit , Chanthai Saksit , Limchoowong Nunticha 
Published: March 2021

AbstractWe report a novel method for the synthesis of 3-mercaptopropyl trimethoxysilane-modified hydroxyapatite (FHAP-SH) derived from fish-scale residues by using ultrasound irradiation. Scanning electron microscopy, transmission electron microscopy, energy-dispersive spectroscopy, X-ray diffraction, and Fourier transform infrared spectroscopy were used for the FHAP-SH characterization. Then, the organic dye adsorption on the FHAP-SH was monitored through an ultrasound process. After the dye removal optimization, significant improvements were observed in the maximum adsorption capacities for Congo Red (CR, 500 mg g−1), Coomassie Brilliant Blue G 250 (CB, 235 mg g−1), and Malachite Green (MG, 625 mg g−1). The adsorption behaviors of these dyes were fitted by using the Langmuir isotherm model with a high coefficient of determination values ranging from 0.9985 to 0.9969. The adsorption of the three dyes onto FHAP-SH was an endothermic process based on the adsorption thermodynamics model, while the adsorption kinetics analysis of the dyes presented a good alignment with the pseudo-second-order kinetics. The FHAP-SH exhibits a remarkably high adsorption capacity, is inexpensive, and fulfills the ecofriendly requirements of dye wastewater treatment, especially in the textile industry.
de novo transcriptomic profiling of differentially expressed genes in grass halophyte Urochondra setulosa under high salinity
Authors: Mann Anita , Kumar Naresh , Kumar Ashwani , Lata Charu , Kumar Arvind , Meena Babu Lal , Mishra Dwijesh , Grover Monendra , Gaba Sonam , Parameswaran C. , Mantri Nitin 
Published: March 2021

AbstractSoil salinity is one of the major limiting factors for crop productivity across the world. Halophytes have recently been a source of attraction for exploring the survival and tolerance mechanisms at extreme saline conditions. Urochondra setulosa is one of the obligate grass halophyte that can survive in up to 1000 mM NaCl. The de novo transcriptome of Urochondra leaves at different salt concentrations of 300–500 mM NaCl was generated on Illumina HiSeq. Approximately 352.78 million high quality reads with an average contig length of 1259 bp were assembled de novo. A total of 120,231 unigenes were identified. On an average, 65% unigenes were functionally annotated to known proteins. Approximately 35% unigenes were specific to Urochondra. Differential expression revealed significant enrichment (P < 0.05) of transcription factors, transporters and metabolites suggesting the transcriptional regulation of ion homeostasis and signalling at high salt concentrations in this grass. Also, about 143 unigenes were biologically related to salt stress responsive genes. Randomly selected genes of important pathways were validated for functional characterization. This study provides useful information to understand the gene regulation at extremely saline levels. The study offers the first comprehensive evaluation of Urochondra setulosa leaf transcriptome. Examining non-model organisms that can survive in harsh environment can provide novel insights into the stress coping mechanisms which can be useful to develop improved agricultural crops.