bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of Temperature on Structural Changes in nsp2 and nsp3 of CHIKV: Molecular Dynamics Simulations
Authors: Kumar Durgesh , Meena Mahendra Kumar , Kumar Vinod , Singh Prashant , Bahadur Indra 
Published: January 2022

Abstract
Authors have considered non-structural protease-2 (nsp2) and non-structural protease-3 (nsp3) of CHIKV for the investigation as they are involved in the replication of the virus and increases the infections in the human. CHIKV protease (nsp2), has a catalytic dyad (Cys1013/His1083) that processes viral polyproteins. Further, it has also been suggested that the catalytic dyad is interchangeable to a serine (proximal) and hence making called non-papain-like cysteine protease. Similarly, nsp3 plays important role during replication of CHIKV genome. In this work, we have investigated the effect of temperature on the structural stability of nsp2 and nsp3 of CHIKV. Although, we did not get any regular patter for change in the RMSD and RMSF for the nsp3 of CHIKV and observed that RMSD for nsp3 of CHIKV is acceptable at all the temperature (300, 325 and 350 K) but the minimum RMSD values are obtained at 325 K. Similarly, no regular pattern is observed for RMSF trajectories of nsp3 of CHIKV at different temperature and minimum fluctuations in the position of amino-acids at 325 K. Further, the RMSD and RMSF trajectories for nsp2 of CHIKV are investigated and observed a regular pattern in the RMSD and RMSF trajectories generated from MD simulations on increasing the temperature. In this, RMSD values are minimum at 300 K while the fluctuation in the position of amino-acids are maximum.
Anti-tumor Activity of Cetuximab Plus Avelumab in Non-Small Cell Lung Cancer Patients Involves Innate Immunity Activation: Findings from the CAVE-Lung Trial
Authors: Corte Carminia Maria Della , Fasano Morena , Ciaramella Vincenza , Cimmino Flora , Cardnell Robert , Gay Carl M. , Ramkumar Kavya , Diao Lixia , Liello Raimondo Di , Viscardi Giuseppe , Famiglietti Vincenzo , Ciardiello Davide , Martini Giulia , Napolitano Stefania , Tuccillo Concetta , Troiani Teresa , Martinelli Erika , Wang Jing , Byers Lauren , Morgillo Floriana , Ciardiello Fortunato 
Published: January 2022

Abstract
Background: We recently conducted Cetuximab-AVElumab-Lung (CAVE-Lung), a proof-of-concept, translational and clinical trial, to evaluate the combination of two IgG1 monoclonal antibodies (mAb): avelumab, an anti-PD-L1 drug, and cetuximab, an anti-epidermal growth factor receptor (EGFR) drug, as second- or third-line treatment in non-small cell lung cancer (NSCLC) patients. We have reported clinically relevant anti-tumor activity in 6/16 patients. Clinical benefit was accompanied by Natural Killer (NK) cell-mediated antibody-dependent cell cytotoxicity (ADCC). Among the 6 responding patients, 3 had progressed after initial response to a previous treatment with single agent anti-PD-1, nivolumab or pembrolizumab. Methods: We report long-term clinical follow-up and additional findings on the anti-tumor activity and on the immune effects of cetuximab plus avelumab treatment for these 3 patients. Results: As of November 30, 2021, 2/3 patients were alive. One patient was still on treatment from 34 months, while the other two patients had progression free survival (PFS) of 15 and 19 months, respectively. Analysis of serially collected peripheral blood mononuclear cells (PBMC) revealed long-term activation of NK cell-mediated ADCC. Comprehensive genomic profile analysis found somatic mutations and germline rare variants in DNA damage response (DDR) genes. Furthermore, by transcriptomic analysis of The Cancer Genome Atlas (TCGA) dataset we found that DDR mutant NSCLC displayed high STING pathway gene expression. In NSCLC patient-derived three-dimensional in vitro spheroid cultures, cetuximab plus avelumab treatment induced additive cancer cell growth inhibition as compared to single agent treatment. This effect was partially blocked by treatment with an anti-CD16 mAb, suggesting a direct involvement of NK cell activation. Furthermore, cetuximab plus avelumab treatment induced 10-, 20-, and 20-fold increase, respectively, in the gene expression of CCL5 and CXCL10 , two STING downstream effector cytokines, and of interferon β , as compared to untreated control samples. Conclusions: DDR mutations may contribute to DDR-induced STING pathway with sustained innate immunity activation following cetuximab plus avelumab combination in previously treated, PD-1 inhibitor responsive NSCLC patients.
Syndesmosis Changes Before And After Syndesmotic Screw Removal: A Retrospective Radiographic Study
Authors: Huang Chien-Ting , Huang Peng-Ju , Lu Cheng-Chang , Shih Chia-Lung , Cheng Yuh-Min , Chen Shu-Jung 
Published: January 2022

Abstract
Background and purpose: In patients with ankle fractures complicated by syndesmotic injuries, no consensus has been reached on the best method of syndesmosis fixation using syndesmotic screws. One previous study revealed no difference in the tibiofibular overlap between two groups with or without syndesmotic screw removal. Other studies have indicated that distal tibiofibular diastasis exists after the removal of syndesmotic screws. In this study, we aimed to confirm the effect of syndesmotic screw removal on diastasis occurrence. We further analyzed the risk factors that may contribute to the widening of the tibiofibular syndesmosis.Patients and methods: This retrospective study involved a review of the records of 63 patients with ankle fractures accompanied by syndesmosis injuries that required syndesmotic screw fixation. Anteroposterior radiographs were analyzed for each patient at various time points, from syndesmotic screw fixation to outpatient department follow-ups after screw removal. The changes in tibia–fibula overlap (OL), tibia–fibula clear space (CS), and medial clear space (MCS) were analyzed. Further analysis was performed to reveal potential factors that may have contributed to radiographic differences.Results: Compared with the postoperation radiographs following syndesmotic screw fixation, OL decreased (2.006 mm) and CS increased (0.821 mm) in the anteroposterior radiographs from outpatient department follow-ups. No significant changes were noted in OL or CS after syndesmotic screw removal. However, OL decreased (1.782 mm) and CS increased (0.492mm) before syndesmotic screw removal. No significant change in MCS occurred during the whole observation period. Linear regression analysis did not reveal any significant correlations between potentially related factors and radiographic changes. Conclusion: Marked diastasis had occurred at final follow-up. Notably, the diastasis occurred before rather than after screw removal. This implies that screw removal does not significantly influence the radiographic outcomes of rotational ankle fractures.
Quantitative Analysis of Routine Chemical Constituents of Tobacco Based on Thermogravimetric Analysis
Authors: Peng Yuhan , Bi Yiming , Dai Lu , Li Haifeng , Cao Depo , Qi Qijie , Liao Fu , Shen Yudong , Du Fangqi , Wang Hui 
Published: January 2022

Abstract
Background

Thermogravimetric analysis (TGA) is an important method to characterize the pyrolysis reaction characteristics of tobacco, reflecting the chemical composition of tobacco from the perspective of chemical reaction. However, quantitative analysis of tobacco chemical indexes based on TG curve has not yet been reported due to the complexity to the best of our knowledge.
Results

By the combination of TG curve and partial least squares (PLS) algorithm, we established quantitative analysis models of six routine chemical constituents in tobacco, including total sugar, reducing sugar, total nitrogen, total alkaloids, chlorine and potassium. We also performed an in-depth analysis of the chemical mechanism revealed by the result of the quantitative model, namely the regression coefficient which reflected the correlation degree between the six chemicals and different stages of tobacco thermal decomposition process.
Conclusions

The quantitative analysis model of chemical constituents in tobacco based on TG curve can be used for the rapid and accurate analysis of compound content. From the perspective of pyrolysis reaction mechanisms, the quantification of total sugar and reducing sugar mainly depended on the Maillard reaction in which carbohydrate compounds participate. The correlation of total nitrogen and total alkaloids with TG curves in the whole temperature range was affected by total sugar. Although chlorine was detrimental to Maillard reaction in general, it has different effects on the different elementary steps of the Maillard reaction. Potassium can promote the thermal decomposition of hemicellulose, pectin, and water-soluble carbohydrates such as glucose and fructose.
Formulation and evaluation of antibacterial gel containing ethanol extract of thorns of Bombax ceiba
Authors: chauahn prashant , Monika  
Published: January 2022

Abstract
Purpose

Formulation and evaluation of the herbal gel preparation from the thorn’s extract of Bombax ceiba to check its antibacterial activity against the bacteria Staphylococcus aureus and Propionibacterium acnes
Methods

Agar well diffusion method were employed for the purpose.
Results

Gel formulation of different concentration of extract were formulated that is 2%, 4%, 6% and 8% respectively and antibacterial activity of the gels were measured against the bacteria Staphylococcus aureus and Propionibacterium acnes. In this clindamycin gel was used as the standard for comparative analysis. From evaluation results it was concluded that formulation of 8% showed better antibacterial activity as compared to other formulated preparations. In addition to this, evaluation of gel formulations was performed considering various parameters which were pH, appearance, viscosity, spreadibility and homogeneity and the result were calculated.
Conclusion

The ethanol thorn’ extract of Bombax ceiba possess good antibacterial property against the Staphylococcus aureus and Propionibacterium acnes. It also contains various phytoconstituents which may be helpful in various health related problems.
Modeling of CO2 Emission Statistics in Turkey by Fuzzy Time Series Analysis
Authors: Cemrek Fatih 
Published: January 2022

Abstract
The process of determining the values which a time series will receive in the future is a very important concept. The fuzzy time series method has been widely used in recent years as it is more convenient to process data in small samples which are incomplete and/or ambiguous, and it does not contain any assumptions for time series. In this study, fuzzy time series analysis was used to predict CO2 emission values for Turkey. For this purpose, time series (annual) for total greenhouse gas emissions by sectors (CO2 equivalent) between 1990 and 2016 were analyzed. The main goal of this study is to model greenhouse gas emission statistics in Turkey with fuzzy time series analysis. The RMSE value was taken into consideration to determine the most suitable model among the analysis performed.
The neutrophil-lymphocyte ratio is positively correlated with aggression in schizophrenia
Authors: Tong Zhu , Zhu Jing , Wang Jiajia , Yang Yujing , Hu Wei 
Published: January 2022

Abstract
To find biomarkers to assess the risk of aggression, we looked at the association between aggression and levels of body inflammation in patients with schizophrenia. The Modified Overt Aggression Scale (MOAS) score was used to divide the aggressive (n=72) and non-aggressive (n=141) groups. The BPRS (Brief Psychiatric Rating Scale) is a tool for determining the severity of a patient's condition. After measuring the number of inflammatory cells in the peripheral blood, the platelet-lymphocyte ratio (PLR), neutrophil-lymphocyte ratio (NLR), and monocyte-lymphocyte ratio (MLR) were estimated. We investigated the relationship between aggressive behavior, bodily inflammation, and BPRS. Before therapy, the aggressive group's BPRS score, white blood cell(WBC) count, Neutrophils count, Monocyte count, NLR, and MLR were considerably more significant than the non-aggressive group's. After therapy, statistically significant variations in total BPRS score and Neutrophils count between the two groups. According to correlation analysis before and after treatment, aggressive behavior was positively connected with Neutrophils count, NLR, and BPRS score. The presence of aggressive behavior in schizophrenic patients indicates the severity of the disorder to some degree. NLR can be used as an objective biomarker to assess the risk of aggression in schizophrenic patients quickly.
Diagnosis of Neurosyphilis through Treponemal methods based on Hemagglutination in Cerebrospinal Fluid in PLWHIV and without HIV: Systematic review
Authors: Azevedo Beatriz 
Published: January 2022

Abstract
Neurosyphilis (NS) is the severe form of syphilis caused by the invasion of Treponema Pallidum subspecies pallidum in the Central Nervous System (CNS). The laboratory diagnosis is based on the analyses of Cerebrospinal Fluid (CSF) with the VDRL, considered “gold standard”, despite recent studies reporting low sensitivity (40-70%). The treponemal tests based on hemagglutination was performed for use in serum and plasma with great diagnostic accuracy. PURPOSE: This systematic review aims to analyze original studies with treponemal tests based hemagglutination on CSF in order to verify the diagnostic accuracy of these tests in the diagnosis of NS. METHODS: A search was performed in the electronic databases: EMBASE, Scielo, MEDLINE/PUBMED, LILACS, Cochrane Library, Trials and “grey literature” with the following DECS contained in the title or abstract, in English, Portuguese and Spanish: “Neurosyphilis” and "Cerebrospinal fluid" and "diagnosis" and "TPPA" or "TPHA" from 2010 to June 2021. RESULTS: 317 articles were identificated for reading the title and abstract and 27 articles were selected for full reading. Studies have shown that treponemal tests based on hemagglutination are useful when the CSF-VDRL is non-reactive and there are neurological symptoms. CONCLUSION:The sensitivity of CSF-TPPA or CSF-TPHA ranges from 75-85% and specificity ranges from 88.9% to 100% with titers ≥ 1:640 in TPPA and ≥ 1:80 in TPHA for the diagnosis of NS while when titers < 1:640 are used, the sensitivity and specificity tend to decrease. There was no difference in the accuracy of the tests between PLWHIV and without HIV.
IoT-Based Smart Irrigation System for Rice Fields
Authors: Taris Lu'mu , Cahyadi Ani , Nurmala Nurmala , Jaya Hendra , Shalihah Auladina 
Published: January 2022

Abstract
Rice farming in Indonesia requires effective irrigation channels. Traditional methods are still used for the care and regulation of rice field irrigation. Rice farmers have to come to the rice fields so that they can open/close irrigation channels, and rice field owners must take turns to flow water to the fields because they are used together. Internet of Things (IoT) information on water requirements in rice fields can be monitored at a distance, making it easier for farmers to care for their rice fields and reducing problems in the irrigation of rice fields. In this study, two products are developed for monitoring rice irrigation equipment: automatic rice field irrigation equipment and smartphone applications. In this test, success is proven through changes when pressing the button so that the tool can drain water to rice fields 1 and 2 and the humidity sensor works well. According to the test results for the functionality, namely in the form of IoT-based rice field irrigation tools and applications for monitoring that were tested, from the functionality test, 100% results must be obtained to ensure that the product can be used. By calculating the percentage of feasibility, it is found that the results of the feasibility test using the functionality test are obtained if the percentage is 100%; thus, it is declared feasible and the tool can work well.
Serjania marginata induced inhibition of mycobaterial growth, reduced cytokine and inflammatory parameters
Authors: Leitão Maicon Matos , Radai Joyce Alencar Santos , Macorini Luis Fernando Benitez , Fraga Thiago Leite , Vieira Silvia Cristina Heredia , Cardoso Claudia Andrea Lima , Arena Arielle Cristina , Kassuya Candida Aparecida Leite 
Published: January 2022

Abstract
Objectives: This study investigated the antimycobacterial, anti-inflammatory and antihyperalgesic effects of hydroalcoholic extract from leaves of S. marginata (EESM) in in vitro and in vivo models. Methods and Results: EESM (0.98–1000 µg/ml) was evaluated in in vitro against Mycobacterium tuberculosis, M. bovis, Klebsiella pneumoniae, Pseudomonas aeruginosa, Staphylococcus epidermidis. The EESM oral administration (p.o.) (30, 100 and 300 mg/kg) and dexamethasone subcutaneous injection (s.c.) (1 mg/kg) were tested against the carrageenan-induced inflammatory paw edema and pleurisy in Swiss mice. The EESM (30 and 100 mg/kg, p.o.) and dexamethasone (1 mg/kg, s.c.) were tested against the CFA-induced paw inflammation and M. bovis (bacillus Calmette-Guerin - BCG)-induced pleurisy in C57bL6 mice. The minimum inhibitory concentration (MIC) of EESM in the presence of M. tuberculosis was 62.4 µg/ml. The values of MIC of EESM in the presence S. epidermidis, K. pneumoniae were 1000 µg/mL while EESM did not interfere against P. aeruginosa growth. EESM significantly inhibited paw edema/mechanical hyperalgesia in carrageenan induced paw inflammation and leukocytes migration/proteins exudation in carrageenan-induced pleurisy model. In the BCG-induced pleurisy model, the daily treatment for 7 days, with EESM inhibited the levels of IL-1β in blood and in pleural exudate. The EESM did not alter the mycobacterial growth in the cell culture from pleural lavage, spleen and liver samples collected from BCG-treated animals. The EESM significantly inhibited the persistent edema and mechanical hyperalgesia induced by CFA. Conclusion: This study confirms the EESM anti-inflammatory property and showed that EESM has high potency in inducing inhibition of mycobaterial growth and low potency or no effects in relation to other microorganisms.
Novel AI to avert the mental health crisis in COVID-19: Novel application of GPT2 in Cognitive Behaviour Therapy
Authors: ANONYMOUS  
Published: January 2022

Abstract
The effect of the COVID-19 pandemic on mental health is substantial. The World Health Organization has called for action to avert an impending mental health crisis. To respond to this call, this paper contributes a novel application of Deep Learning in Natural Language Generation (NLG) to seed healthy thoughts for mental health therapy. For the 1st time in literature, a transfer learning capable large neural network with more than 100 million parameters for a NLG based mental health therapy application is proposed & demonstrated. This AI is designed to address scalable impact for millions of families with a timely health intervention in a privacy-safe approach. To the best of our knowledge, this is the first research paper to apply GPT2 (Generative Pretrained Transformer) for Cognitive Behavior therapy (CBT). Further, the paper demonstrates the proposed neural network architecture with a lab prototype implementation with reproducible results. This paper demonstrates this AI’s ability to generate conditional synthetic human-like text intended to seed a healthy mental outlook. This is accomplished by fine tuning a pre-trained GPT2 language model. The source code and video demonstration is contributed at https://sites.google.com/view/ai-in-mental-health. Also, for the 1st time in literature, a novel idea of NLU (Natural Language Understanding) activated NLG therapy is demonstrated with reproducible results using a BERT based classifier to activate the GPT2 based therapy. Performance of GPT2 models of three different sizes (124, 355, 774 million parameters) was the same for a very small dataset, thus a small GPT2 model is suggested for on-device AI inference. This AI is a step forward in responding to WHO’s call for action to avert the crisis. Towards addressing all the three dimensions of the monumental challenge, the paper designed a novel AI architecture by taking advantage of both BERT & GPT2. It also demonstrated the feasibility of Transformers-based AI for developing a mental health therapy solution. Further, this paper contributed an open-source AI prototype to support research communities to transform global mental wellness.
Artificial Neural Network Model Using Immune-infiltration Modules for Endometrial Receptivity Assessment of Implantation Failure
Authors: Li Bohan , Duan Hua , Wang Sha , Wu Jiajing , Li Yazhu 
Published: January 2022

Abstract
Objectives: This study was anchored on the state of local immune-infiltration in the endometrium, which acts as critical factors affecting embryonic implantation, and aimed at establishing novel approaches to assess endometrial receptivity for patients with IVF failure.Methods: Immune-infiltration levels in the GSE58144 dataset (n=115) from GEO were analyzed by digital deconvolution and validated by immunofluorescence (n=30), illustrating that dysregulation of the ratio of Mf1 to Mf2 is an important factor contributing to implantation failure. Then, modules most associated with M1/M2 macrophages (Mfs) and their hub genes were then selected by weighted gene co-expression network and univariate analyses, then validated by GSE5099 macrophage dataset, qPCR analysis (n=16), and western blot. It revealed that closely related gene modules dominated three biological processes in macrophages: antigen presentation, interleukin−1−mediated signalling pathway, and phagosome acidification, respectively. Their hub genes were significantly altered in patients and related with ribosomal, lysosome, and proteasomal pathways. Finally, the artificial neural network (ANN) and nomogram models were established from hub genes, of which efficacy was compared and validated in the GSE165004 dataset (n=72). Models established by the selected hub genes exhibited excellent predictive values in both datasets, and ANN performed best with an accuracy of 98.3% and an AUC of 0.975 (95% CI 0.945-1). Conclusions: Macrophages, proven to be essential for endometrial receptivity, were regulated by gene modules dominating antigen presentation, interleukin−1−mediated signalling pathway, and phagosome acidification. Selected hub genes can effectively assess endometrial dysfunction receptivity for IVF outcomes by the ANN approach.
REA: Resource Exergy Analysis - A basic guideline for application focusing on energy systems evaluation
Authors: Jentsch Andrej 
Published: January 2022

Abstract
This publication provides a basic guideline to the application of Resource Exergy Analysis (REA) with a focus on energy systems evaluation. REA is a proven application of exergy analysis to the field of technology comparison.REA aims to help decision makers to obtain an indicator in addition to GHG emissions, that is grounded in science, namely Resource Consumption.Even if an energy system uses GHG-free energy increased Resource Consumption likely increases the need for fossil fuels and thus GHG emissions of the global economy. Resource Consumption can replace the less comprehensive Primary Energy Consumption as an indictor and reduce the risk of suboptimal decisions.Evaluating energy systems using REA is key to ensure that climate targets are reached in time.