bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rational design of novel compounds to serve as potential NDM-1 inhibitors using molecular docking, molecular dynamics simulation, and physicochemical studies
Authors: Salih Twana , Ali Pshtiwan G. 
Published: February 2023

Abstract
New Delhi Metallo-β-lactamase enzyme (NDM-1) is an enzyme that hydrolyzes a wide range of β-lactam antibiotics, including most carbapenems, leading to antimicrobial resistance. The development of a novel NDM-1 inhibitor for use in combination with carbapenems may help to combat drug-resistant pathogens. Twenty compounds derived from naphthalene, thiazole, and sulfone derivatives were designed to inhibit bacterial NDM-1 and protect β-lactam antibiotics from enzyme attack. Two- and three-dimensional structures of the designed molecules were sketched using MarvinSketch, and a molecular docking protocol was used to identify potential inhibitor(s) of the NDM-1 target protein using AMDock v 1.5.2. The binding free energy of each compound against NDM-1 was determined and the drug-likeness properties of the designed molecules were assessed using SwissADME. Two compounds with the highest ΔGbinding results, T008 and T016, were selected for further investigation using molecular dynamic (MD) simulations with the GROMACS simulation package (GROMACS 2020.4). The duration of each MD simulation was 100 ns. Both compounds had a significantly higher binding free energy than the positive control and other designed molecules, their MD simulations remained stable, they passed Lipinski’s rule of five, and were shown to have favorable physicochemical properties. The study outcomes can be used to inform synthesis and in vitro testing of the selected molecules.
Incidence of Appendiceal Neoplasms in Appendectomy Patients
Authors: Girón Felipe , Núñez-Rocha Ricardo E. , Rodríguez Lina , Camargo-Gómez Daniela , Restrepo-Bonilla Carolina , López Rocío , Cadena Manuel , Nassar Ricardo , Herrera-Almario Gabriel E. , Hernández-Restrepo Juan David 
Published: February 2023

Abstract
BACKGROUND:
Non-operative management has been suggested as a therapy for uncomplicated appendicitis. Notwithstanding, the risk of missing an appendiceal tumor must be considered, being the surgical piece crucial to rule out neoplasms. Therefore, we aim to determine the incidence of appendiceal neoplasms in patients with acute appendicitis, tumor types and the importance of the anatomopathological study of the surgical piece.
STUDY DESIGN:
Retrospective study with a prospective database in which we described patients who underwent emergent appendectomy with histopathological findings of appendiceal neoplasms from January 2012 to September 2018. Descriptive analysis included demographic variables, diagnostic methods, and surgical techniques.
RESULTS:
2993 patients diagnosed with acute appendicitis who underwent an emergency appendectomy. 64 neoplasms of the appendix were found with an incidence of 2,14%. 67.2% were women, the mean age was 46,4 years (±19.5). The most frequent appendiceal neoplasms were neuroendocrine tumors (42,2%), followed by appendiceal mucinous neoplasms (35,9%), sessile serrated adenomas (18,8%), and adenocarcinomas (3,1%). In 89,1% of the cases, acute appendicitis was determined by imaging, and 14 % of cases were suspected intraoperatively. Appendectomy was performed in 78,1% without additional procedures.
CONCLUSIONS:
Appendiceal tumors are rare and must be ruled out in patients with suspected acute appendicitis. The incidence of incidental neoplasms is higher in this study than in the previously reported series. This information must be included in decision-making when considering treatment options for acute appendicitis.
Scientific Interest in Lymphedema Rehabilitation; A Bibliometric Analysis
Authors: Koca Tuba Tülay 
Published: February 2023

Abstract
Background: To conduct bibliometric analysis to explore scientific interest in lymphedema rehabilitation.
Method: The data for this study was obtained from Scopus, a multidisciplinary database, for the period of fifty-four years (1969-2023) using keywords ‘lymphedema’ and ‘rehabilitation’.
Results: When the term 'Lymphedema' is scanned, 22.080 articles found; In addition, when we added the term 'rehabilitation', 747 articles were found. 271 of the articles were open Access. When we look at the year distribution, the highest number of articles was in 2022 year (N=88). There were 3 articles in 2023 year, 70 in 2021 year, 58 in 2020 year, and 54 year in 2019. USA (184), Italy (51), German (50), Spain (42), Poland (38), Turkey (36), Canada (35), Australia (33), South Korea (33), the United Kingdom (33), produced the most lymphedema rehabilitation research.
The distributions of documents types were; article (528), review (151), conference paper (17), editorial (15), book chapter (14) and short survey (9). English was the most common Language with 609 paper. The names of the top 10 authors were as listed; Schmitz KH (13), Armer, JM (12), Invernizzi M (9), Grushina TI (8), Staut NL (8), Stubblefield MD (7), Crevenna R (6), De Urieze T (6), Fusco N (6) and Jean JYO (6). The total number of citations was 1764, the maximum citation was in 2022. H index of the citations was 57.
Conclusion: We see the multidisciplinary interest in lymphedema rehabilitation, rising over the years. As a result of early diagnosis of cancer and increased awareness of survival, lymphedema rehabilitation will become among the trend topics of research area.
SRPK1 promotes metastasis of esophageal squamous cell carcinoma by phosphorylation of Gli3S664
Authors: Zhao Jimin , Ding Yongwei , Qin Jiace , Wu Huiting , Liu Chang , Guo Yaping , Wu Wenjie , Jiang Yanan , Ma Yanying , Chen Xinhuan , Lu Jing , Liu Kangdong , Dong Ziming , Qiao Yan 
Published: February 2023

Abstract
The authors have requested that this preprint be removed from Research Square.
Paeoniflorin alleviates depression by inhibiting the activation of NLRP3 inflammasome via promoting mitochondrial autophagy
Authors: Su Lili , Guo Pengli , He Zhongmei , Zhao Yan , Zong Ying , Li Jianming , Chen Weijia , Du Rui 
Published: February 2023

Abstract

Depression is one of the most common neuropsychiatric disorders. The antidepressant mechanism of paeoniflorin (PF) is related to mitochondrial autophagy and inflammation has been little reported. This study aimed to investigate the anti-depressive mechanism of PF by promoting autophagy and inhibit NLRP3 activation in chronic unpredictable mild stimulation (CUMS) -induced C57BL/6 mice models in vivo and CORT-induced HT22 cell models in vitro. The reactive oxygen species (ROS) accumulation was quantified by DCFH-DA probe and detection of mitochondrial membrane potential with JC-1. Autophagy was evaluated in the hippocampus by investigating autophagosomes under transmission electron microscope (TEM) and detecting Beclin1, Parkin, P62 and LC3II/I through western blotting and immunofluorescence. NLRP3 inflammasome activation was evaluated by the expression of IL-1β, NLRP3, ASC and Caspase-1. Finally, the autophagy inhibitor 3-methyladenine (3-MA) was used to elucidate the role of autophagy in the antidepressant mechanism of PF. The results showed that PF could promote autophagic activation and cell viability of HT22 cells induced by CORT, and weaken the accumulation of ROS. Additionally, PF could alleviate CUMS induced depressive behavior and improve hippocampus damage. Moreover, it also increases the expression of autophagy related proteins in hippocampus and promote the elimination of damaged mitochondria and the generation of autophagosome. In addition, PF inhibit the expression of NLRP3 and the synthesis of NLRP3 inflammasome. The efficacy of PF was weakened by 3-MA treatment. In conclusion, PF improves CUMS-induced depressive behavior in mice and inhibits NLRP3 inflammatory mediated inflammation in vivo and in vitro, these effects may be mediated by PF induced autophagy.
Second haploidentical stem cell transplantation (HAPLO-SCT2) after relapse from a first HAPLO-SCT in acute leukemia - a study on behalf of the Acute Leukaemia Working Party (ALWP) of the European Society for Blood and Marrow Transplantation (EBMT).
Authors: Schmid Christoph , Velázquez Giuliano Filippini , Labopin Myriam , Tischer Johanna , Raiola Anna Maria , Angelucci Emanuele , Kulagin Alexander , GALIENI PIERO , Bermudez Arancha , BULABOIS Claude-Eric , Kroeger Nicolaus , Díez-Martín Jose Luis , Kwon Mi , Nagler Arnon , Ciceri Fabio , Mohty Mohamad 
Published: February 2023

Abstract
For patients with acute myeloid and lymphoblastic leukemia (AML/ALL) lacking a matched sibling or unrelated donor, haploidentical stem cell transplantation (HAPLO-SCT) is increasingly used. However, available data on the treatment of relapse after HAPLO-SCT, including feasibility and efficacy of a second HAPLO-SCT (HAPLO-SCT2), is scarce. Hence, adults with AML/ALL, that had undergone HAPLO-SCT2 without ex-vivomanipulation after hematologic relapse from HAPLO-SCT1 were selected for a retrospective registry analysis.
Eighty-two patients (AML, n=63, ALL, n=19, median follow-up: 33 months) were identified. Engraftment rate was 87%. At day +180, cumulative incidences of acute GvHD II-IV°/chronic GvHD were 23.9%/22.6%, respectively. Two-year overall survival/leukemia-free survival (OS/LFS) were 34.3%/25.4%; 2-year non-relapse mortality (NRM) and relapse incidence (RI) were 17.6% and 57%. Leukemia was the most frequent cause of death. Separated by disease, 2-year OS/LFS/NRM/RI were 28.7%/22.3%/16.2%/61.6% in AML, and 55.3%/38.4%/23.5%/38.2% in ALL patients. In a risk-factor analysis among patients with AML, stage at HAPLO-SCT1 and HAPLO-SCT2, and interval from HAPLO-SCT1 to relapse significantly influenced outcome.
Our data demonstrate that HAPLO-SCT2 is a viable option in acute leukemia relapse after HAPLO-SCT1. Engraftment, toxicity, risk factors and long-term outcome are comparable to data reported after allo-SCT2 in a matched donor setting.
Is hypernatremia a risk factor to expansive hematomas among traumatic brain injured patients in a tertiary Sub-Saharan hospital?
Authors: Kamabu Larrey Kasereka , Bbosa Godfrey S. , Lekuya Hervé Monka , Vivalya Bives Mutume Nzanzu , Ssenyondwa John Baptist , Kataka Louange Maha , Najiingo Irene , Sekabunga Juliet Nalwanga , Obiga Doomwin Oscar Deogratius , Kiryabwire Joel , Galukande Moses 
Published: February 2023

Abstract
Background: Hypernatremia is a common electrolyte imbalance observed in patients with traumatic brain injury (TBI) and it commonly leads to poor outcome. However, the consequence of hypernatremia on occurrence of expansive hematoma (EH) is not well established, though there is limited information on the burden of EH among TBI patients and associated risk factors. This study therefore assessed the proportion of hypernatremia and its correlation with EH among TBI patients at Mulago National Referral Hospital (MNRH), Kampala, Uganda.
Methods: A prospective cohort study was conducted among TBI patients with intracranial hematoma undergoing surgical evacuation during a period of 16th June 2021 to 17th June 2022. A total of 332 patients were prospectively recruited. Demographic, clinical, laboratory and radiological data were captured using the Research Electronic Data Capture (Redcap) system. Patients were monitored for hematoma enlargement complications. The independent outcome was the sodium level (Na) > 145. The dependent outcomes were hematoma enlargement of over 33% evidence by two CT scans (baseline and follow up). Univariate and multivariate analyses were used to identify variables associated with hematoma enlargement.
Results: 184 participants (55.4%) had expansive hematomas identified on CT scan resulting in a proportion of 0.55 95% CI (0.50 to 0.60). Hypernatremia was detected in 80 patients (25.2 %) within 24 hours of admission. At multivariate analyses, the results showed that only hypernatremia PR =1.56 (95% CI 1.17 to 2.10; P=0.003) was found to be a risk factor for expansive hematomas among patients with TBI.
Conclusion: Hypernatremia is common with a prevalence of 25.2.8% among TBI patients. Patients with hypernatremia have 1.56-times higher risk of developing a EH when compared to patients who had no hypernatremia. These findings imply routine plasma sodium levels monitoring and could form the basis for establishing a blood chemistry control protocol for such patients in remote settings.
Identification and localization of polar tube proteins in the extruded polar tube of the microsporidian Anncaliia algerae
Authors: Fayet Maurine , Prybylski Nastasia , Collin Marie-Laure , Peyretaillade Eric , Wawrzyniak Ivan , Belkorchia Abdel , Akossi Reginald Florian , Diogon Marie , Alaoui Hicham El , Polonais Valérie , Delbac Frédéric 
Published: February 2023

Abstract
Microsporidia are obligate intracellular parasites able to infect a wide range of hosts from invertebrates to vertebrates. The success of their invasion process is based on an original organelle, the polar tube, that is suddenly extruded from the spore to inoculate the sporoplasm into the host cytoplasm. The polar tube is mainly composed of proteins named polar tube proteins (PTPs). A comparative analysis allowed us to identify genes coding for 5 PTPs (PTP1 to PTP5) in the genome of the microsporidian Anncaliia algerae. While PTP1 and PTP2 are found on the whole polar tube, PTP3 is present in a large part of the extruded polar tube except at its end-terminal part. On the contrary, PTP4 is specifically detected at the end-terminal part of the polar tube. To complete PTPs repertoire, sequential sporal protein extractions were done with high concentration of reducing agents. In addition, a method to purify polar tubes was developed. Mass spectrometry analysis conducted on both samples led to the identification of a PTP3-like protein (PTP3b), and a new PTP (PTP6) only found at the extremity of the polar tube. The specific localization of PTPs ask the question of their roles in cell invasion processes used by A. algerae.
Predicting depression using electronic health records data: A systematic review
Authors: Nickson David , Meyer Caroline , Walasek Lukasz , Toro Carla 
Published: February 2023

Abstract
Background
Depression is one of the most significant health conditions in personal, social, and economic impact. The aim of this review is to summarize existing literature in which machine learning (ML) methods have been used in combination with Electronic Health Records (EHRs) for prediction of depression.
Methods
Systematic literature searches were conducted within arXiv, PubMed, PsycINFO, Science Direct, SCOPUS and Web of Science electronic databases. Searches were restricted to information published after 2010 (from 1st January 2011 onwards) and were updated prior to the final synthesis of data (27th January 2022).
Results
Following the PRISMA process, the initial 744 studies were reduced to 19 eligible for detailed evaluation. Data extraction identified machine learning methods used, types of predictors used, the definition of depression, classification performance achieved, sample size, and benchmarks used. Area Under the Curve (AUC) values more than 0.9 were claimed, though the average was around 0.8. Regression methods proved as effective as more developed machine learning techniques.
Limitations
The categorization, definition, and identification of the numbers of predictors used within models was sometimes difficult to establish, Studies were largely Western Educated Industrialised, Rich, Democratic (WEIRD) in demography.
Conclusion
This review supports the potential use of machine learning techniques with EHRs for the prediction of depression. All the selected studies used clinically based, though sometimes broad, definitions of depression as their classification criteria. The reported performance of the studies was comparable to or even better than that found in primary care. There are concerns over the generalizability and interpretability.
Etiology and Clinical Characteristics of a Non-Cystic Fibrosis Bronchiectasis Cohort in a Middle Eastern Population
Authors: Shafiq Irfan , Wahla Ali Saeed , Uzbeck Mateen Haider , Zoumot Zaid , Abuzakouk Mohamed , ElKhalifa Shuayb , Bodi Govinda , Almazrouei Khalaf Mohamed , Bodi Kashyap , Isse Said 
Published: February 2023

Abstract
Introduction:
Bronchiectasis is a common airway disease characterized by airway dilatation and recurrent infections, leading to respiratory failure in severe cases. It is well known that the etiology of bronchiectasis varies geographically. However, there are no published data looking at the etiology of bronchiectasis within the middle eastern population.
Methods:
We performed a retrospective analysis of our bronchiectasis patient registry, recording the clinical and demographic characteristics from their electronic medical records. Quantitative variables are expressed as the median and interquartile range (IQR). Categorical variables are expressed as numbers and percentages. Statistical comparisons between continuous characteristics were carried out using the t-test, and a significant p-value was taken to be less than 0.05.
Results:
In total we analysed 260 records (63% female, 37% male), with median age of 58 years (interquartile range (IQR) 38–71), Body Mass Index (BMI) 25.8(IQR 22–30), forced expiratory volume in the first second (FEV1) %predicted 65 (IQR 43–79) and FEV1/forced vital capacity (FVC) 0.76 (0.67–0.86). Sixty-five cases (25%) were post-infectious in etiology (excluding post-TB – n:25 10.4%). Forty-eight (18.5%) patients were labelled idiopathic, while Primary Ciliary Dyskinesia (PCD) accounted for 23 (8.8%) cases. Pseudomonas aeruginosa was the most common colonizing organism (32.7%), followed by Haemophilus influenzae (9.2%) and Methicillin-Sensitive Staphylococcus aureus(6.9%). At the time of review, 11 patients had died (median age, FEV %predicted, and bronchiectasis severity index (BSI) 59 years, 38% and 15.5 respectively), all due to respiratory failure, and as expected, all were classed severe on BSI. The BSI score was available for 109 patients, of which 31(28%) were classed mild, 29(27%) were moderate, and 49 (45%) were classed severe. The median BSI score was 8 (IQR 4–11). On dividing the patients according to obstructive vs restrictive spirometry, we found that patients with FEV1/FVC < 0.70 had significantly higher BSI (10.1 vs 6.9, p-value < 0.001) and that 8 out of the 11 deceased patients had FEV1/FVC < 70%.
Conclusions:
In our cohort, post-infectious, idiopathic and the PCD were the most common aetiologies of bronchiectasis. Patients with obstructive spirometry seemed to have a worse prognosis than those with restriction.
Behavior dynamics at high temporal resolutions: the relevance of a right scale for sampling
Authors: Barberis Lucas , Simien Catalina , Marin Raul , Kembro Jackelyn 
Published: February 2023

Abstract
Many species used in behavioral studies are small vertebrates with high metabolic rates and potentially enhanced temporal resolution of perception. Nevertheless, the temporal organization of behaviors at fast time scales (≤ 1s) has received little attention. Herein, we studied the temporal organization of behaviors at short time scales to gain insight into behavioral dynamics and to rethink how behavioral events are defined. We statistically explored high-resolution quail (Coturnix japonica) datasets encompassing 17 coarse- and fine-grained defined behaviors. We show that for the majority of these behaviors, events last predominately < 300ms and can be shorter than 70ms. Insufficient sampling resolution, even in the order of 1s, of behaviors that involve spatial displacement (e.g. walking) yields distorted probability distributions of event durations and overestimation of event durations. Contrarily, behaviors without spatial displacement (e.g. vigilance) maintain non-Gaussian, power-law-type distributions indicative of long-term memory, independently of the sampling resolution evaluated. Since data probability distributions reflect underlying biological processes, our results highlight the importance of quantification of behavioral dynamics based on the temporal scale pertinent to the species, and data distribution. We propose a hierarchical model that links diverse types of behavioral definitions and distributions, and paves the way towards a statistical framework for defining behaviors.
Efficacy of Internet-Delivered Transdiagnostic Cognitive Behavior Therapy on Emotion Regulation, Repetitive Negative Thought and Social Adjustment in Adolescents with Sub- clinical Diagnosis of Emotional Disorders
Authors: Javadi Vahideh , Ahmadi Farzaneh , Ebrahimi Leila Salek , Dadashi Mohsen , Mousavi Seyedeh Elnaz 
Published: February 2023

Abstract
Objective: The Unified Protocol for Transdiagnostic Treatment of Emotional Disorders in Adolescents has been shown to be effective in reducing symptoms of anxiety and depression in adolescents with emotional disorders. The present study aims to assess the effectiveness of Internet-based UP-A in reducing repetitive negative thoughts, improving emotion regulation and social adjustment of adolescents with subclinical features of emotional disorder during the COVID-19 pandemic.
Methods: This is a longitudinal randomized clinical trial conducted on 40 adolescents aged 12-17 years with subclinical features of emotional disorder. They were randomly divided into two groups of intervention (n=20) and control (n=20). They first completed the Depression Anxiety Stress Scale- 21 item (DASS-21) and the Acceptance and Action Questionnaire (AAQ-2) online. Then, the intervention group received twelve 45-minute sessions of UP-A through video calls on WhatsApp two days a week. The control group received no treatment. Immediately and 3 months after the intervention, the questionnaires were completed again. The collected data were analyzed using longitudinal marginal modeling.
Results: The results of the data analysis indicated that Unified Transdiagnostic Therapy was effective in reducing the sub-clinical symptoms of emotional disorders, repetitive negative thoughts, increasing the use of adaptive strategies and reducing the use of maladaptive emotion regulation strategies. Regarding the social adaptation variable, there was not any effectiveness in the evaluation after the intervention and three months after the intervention.
Conclusion: The results of the research represent that the adolescent version of the Unified Transdiagnostic Protocol can be effective in preventing emotional disorders in adolescents.