bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods
Authors: Vivas-Reyes Ricardo , Morales-Bayuelo Alejando , Gueto Carlos , Drosos Juan C. , Márquez Lázaro Johana , Baldiris Rosa , Ahumedo Maicol , Vivas-Gomez Catalina , Aparicio Dilia 
Published: April 2020

Background:Heat shock protein (Hsp90KDa) is a molecular chaperone involved in the process of cellular oncogenesis, hence its importance as a therapeutic target. Geldanamycin is an inhibitor of Hsp90 chaperone activity, which binds to the ATP binding site in the N-terminal domain of Hsp90. However, geldanamycin has shown hepatotoxic damage in clinical trials; for this reason, its use is not recommended. Taking advantage that geldanamycin binds successfully to Hsp90, many efforts have focused on the search for similar analogues, which have the same or better biological response and reduce the side effects of its predecessor; 17-AAG and 17-DMAG are examples of these analogues.Methods:In order to know the chemical factors influencing the growth or decay of the biological activity of geldanamycin analogues, different computational techniques such as docking, 3DQSAR and quantum similarity were used. Moreover, the study quantified the interaction energy between amino acids residues of active side and geldanamycin analogues, through hybrid methodology (Autodock-PM6) and DFT indexes.Results:The evaluation of interaction energies showed that the interaction with Lys58 residue is essential for the union of the analogues to the active site of Hsp90, and improves its biological activity. This union is formed through a substituent on C-11 of the geldanamycin macrocycle. A small and attractor group was found as the main steric and electrostatic characteristic that substituents on C11 need in order to interact with Lys 58; behavior was observed with hydroxy and methoxy series of geldanamycin analogues, under study.Conclusion:This study contributes with new hybrid methodology (Autodock-PM6) for the generation of 3DQSAR models, which to consider the interactions between compounds and amino acids residues of Hsp90´s active site in the alignment generation. Additionally, quantum similarity and reactivity indices calculations using DFT were performed to know the non-covalent stabilization in the active site of these compounds.
Evaluation of dental arches in orthodontic patients with condylar hyperplasia in a North Sumatra subpopulation: a cross-sectional study
Authors: Sofyanti Ervina , Boel Trelia , Satria Denny , Ritonga Zuriyah Fionita , Hasibuan Indah Hafniar 
Published: April 2020

Background: Condylar Hyperplasia (CH) is a self-limiting mandibular condyle disorder that shows asymmetry progress conjunction with associated occlusal changes as long as condylar growth is still active and leads to facial asymmetry. This study aimed to evaluate dental arches by analyzing dental arch asymmetry and form in orthodontic patients with CH in a North Sumatra subpopulation. Methods: This is a retrospective study of suspected CH patient’s clinical records who sought for the initial orthodontic treatment between January 2015 to March 2019. Patient with facial asymmetry (based on photography, posterior cross bite and midline deviation), positive temporomandibular joint disorder in functional analysis, and no history of facial trauma were included in the study. Dental arch asymmetry was based on the measurement of dental midline deviation, canine tip in the dental arch, distance of the upper canines from the palatal suture, and inter canine distance. The evaluation of dental arch was achieved by comparing arch width and length. Results: There was a significant difference (p<0.05) of upper canine distance from the palatal suture in female patients when evaluating upper dental arch asymmetry. There was a moderate correlation (r=0.379) in midline deviation between upper and lower dental arch. The dimension and dental arch form was mid and flat, and there was moderate correlation (r=0.448) between the upper and lower dental arch form in these CH patients. Conclusion: The evaluation of dental arch symmetry and arch form showed asymmetric occlusal characteristics in orthodontics patient with CH in North Sumatera subpopulation. In treating these patients, we recommend the plaster cast evaluation as essential and routine procedure in order to understand the complexity of occlusal change due to active growth of condylar and limitation in radiography evaluation.
A multi-parameter diagnostic clinical decision tree for the rapid diagnosis of tuberculosis in HIV-positive patients presenting to an emergency centre
Authors: van Hoving Daniël Jacobus , Meintjes Graeme , Maartens Gary , Kengne Andre Pascal 
Published: April 2020

Background: Early diagnosis is essential to reduce the morbidity and mortality of HIV-associated tuberculosis. We developed a multi-parameter clinical decision tree to facilitate rapid diagnosis of tuberculosis using point-of-care diagnostic tests in HIV-positive patients presenting to an emergency centre. Methods: A cross-sectional study was performed in a district hospital emergency centre in a high-HIV-prevalence community in South Africa. Consecutive HIV-positive adults with ≥1 WHO tuberculosis symptoms were enrolled over a 16-month period. Point-of-care ultrasound (PoCUS) and urine lateral flow lipoarabinomannan (LF-LAM) assay were done according to standardized protocols. Participants also received a chest X-ray. Reference standard was the detection of Mycobacterium tuberculosis using Xpert MTB/RIF or culture. Logistic regressions models were used to investigate the independent association between prevalent microbiologically confirmed tuberculosis and clinical and biological variables of interest. A decision tree model to predict tuberculosis was developed using the classification and regression tree algorithm. Results: There were 414 participants enrolled: 171 male, median age 36 years, median CD4 cell count 86 cells/mm3. Tuberculosis prevalence was 42% (n=172). Significant variables used to build the classification tree included ≥2 WHO symptoms, antiretroviral therapy use, LF-LAM, PoCUS independent features (pericardial effusion, ascites, intra-abdominal lymphadenopathy) and chest X-ray. LF-LAM was positioned after WHO symptoms (75% true positive rate, representing 17% of study population). Chest X-ray should be performed next if LF-LAM is negative. The presence of ≤1 PoCUS independent feature in those with ‘possible or unlikely tuberculosis’ on chest x-ray represented 47% of non-tuberculosis participants (true negative rate 83%). In a prediction tree which only included true point-of-care tests, a negative LF-LAM and the presence of ≤2 independent PoCUS features had a 71% true negative rate (representing 53% of sample). Conclusions: LF-LAM should be performed in all adults with suspected HIV-associated tuberculosis (regardless of CD4 cell count) presenting to the emergency centre.
COVID-19 Considerations in Dental Care
Authors: Darwish Samy 
Published: April 2020

COVID-19 is a disease that is causing uncertainty with the provision of dental services. The situation is rapidly changing and dentists remain unsure on how to change practices accordingly. Formal guidance remains sparse at the time of writing, so this paper presents matters within the practice of dentistry to be considered, as we adapt to the rapidly-changing need. CPD/Clinical Relevance: Dentists are unsure what to do and where to look for guidance during this worrying pandemic situation. A structured presentation of matters arising within the practice of dentistry is required for consideration in order to maximize the safety of patients and members of the dental team.
Body Dysmorphic Disorder: a Guide to Identification and Management for the General Dental Practitioner
Authors: Rosten Adina , Newton Tim 
Published: April 2020

Body Dysmorphic Disorder (BDD) is a relatively common psychiatric condition in which the individual is disproportionately concerned about an aspect of his/her appearance. People with BDD are highly likely to seek cosmetic dental treatment. However, the provision of such treatment is contra-indicated. This article will identify simple techniques for practitioners to screen for and manage patients with BDD. CPD/Clinical Relevance: This article addresses the management of patients with a specific psychiatric illness who are likely to present for cosmetic dental treatments.
Spectroscopic investigations of 142Nd3+:YVO4 for quantum memory applications
Authors: Liang Peng-Jun , Liu Xiao , Li Pei-Yun , Zhou Zong-Quan , Li Chuan-Feng , Guo Guang-Can 
Published: April 2020

A

Y
V
O

4

single crystal doped with

142

N
d

3
+

ions is grown using the Czochralski method. We present systematic spectroscopy measurements of the

4

I

9

/

2

→

4

F

3

/

2

transition of

142

N
d

3
+

ions at a temperature of 1.5 K. An absorption coefficient of

3.0

m
m

−
1

is obtained, along with an inhomogeneous broadening below 0.5 GHz. Under a magnetic field of 0.3 T, the optical coherence time and population lifetime are measured as 64 µs and 120 µs, respectively. The ground-state spin relaxation time approaching 11.3 s is determined by spectral hole burning. These results demonstrate the potential for broadband quantum storage using the electron spin levels of this material.
From speakability to hypothetical mise en scène: A Chinese rendition of monologues from Peter Shaffer’s Amadeus from page to stage
Authors: Yang Yichen 
Published: April 2020

AbstractIn order to develop a deeper understanding of speakability and its connection to the actual practice of stage translation, this study explores the rendition of Salieri’s monologues in the 1986 Beijing production of Peter Shaffer’sAmadeus. The study finds that speakability does not manifest itself in specific stylistic forms; nor would it be determined by the adoption of any particular translation strategy. Rather, its conceptualization could be deeply embedded in the translator’s reading of the given dramatic roles and circumstances. This would make the translated playtext a so-called ‘hypothetical performance text’ incorporated with the translator’s own hypotheticalmise en scène. The process of testing speakability through the actor’s verbalization is also one where the translator’s hypotheticalmise en scèneis evaluated. By tracking the verbal changes made from page to stage, this study shows how the process could be influenced by the negotiation with and between the translational and the theatrical norms governing the different phases of the production, and how a stage translator could make greater contribution to the process.
A importância de unidades de conservação na proteção de aves da floresta atlântica frente à fragmentação
Authors: Zimmermann Carlos Eduardo , Branco Joaquim Olinto , Marenzi Rosemeri Carvalho , Willrich Matheus Allan Kurtz 
Published: April 2020

Due to the few studies in ornithology in the gleba menor of the Sassafras and Canela Preta Biological, the objective of this study was to evaluate the role of these Units for the preservation of forest birds. In the field, a monthly quantitative inventory was carried out, covering all seasons and periods of the day. The specimens were identified by sonic and visual evidences using a 7 X 35 mm binocular. The displacement in each area was one hour, carried out by walking at a constant speed (Â± 3.0 km / h) on pre-existing tracks, covering the largest area and possible environments. For each unit with the area and perimeter values, the form factor was calculated. With a sample effort of 65 and 71 hours of observation for the Canela Preta Biological Reserve and for the gleba menor, it was possible to record 182 and 190 species respectively. The richness in the areas can be considered high when compared to the richness in the greater area in the Sassafras Rebio (3,840 ha), where 237 species were registered. Among the species are those considered endemic, which for the two areas add up to 84 species, such as Lipaugus lanioides (Lesson, 1844). It was possible to record the presence of species characteristic of altitudes such as: Pyrrhocoma ruficeps (Strickland, 1844). Among species of conservation interest we have Amazona vinacea (Kuhl, 1820) considered threatened (EN). The most representative species was the Critically Endangered (CR) Primolius maracana (Vieillot, 1816). For the shape factor we obtained values of 0.21 (Sassafras) and 0.18 (Canela-Preta). Values less than 1 indicate a more circular area and, consequently, less edge effect. From the above, it is evident the importance of these protected areas Â for the conservation of bird species against the fragmentation of the Atlantic Forest in Santa Catarina.
Determination of hemolysis cut-offs for biochemical and immunochemical analytes according to their value
Authors: Dupuy Anne Marie , Bargnoux Anne Sophie , Kuster Nils , Cristol Jean Paul , Badiou Stéphanie 
Published: April 2020

Abstract

Background
All general biochemistry instruments allow the measure of hemolysis index (HI), and suppliers provide an acceptable HI for each assay without consideration of the analyte value or its clinical application. Our first objective was to measure the impact of hemolysis degree on plasma biochemical and immunochemical analytes to determine the maximum allowable HI for each of them using four calculation methods as significant bias in comparison to manufacturer’s data. The second objective was to assess whether the maximum allowable HI varied according to the analyte values.

Methods
Twenty analytes were measured in hemolyzate-treated plasma to determine the HI leading to a significant change compared to baseline value. Analytes were assessed at one (3 analytes), two (5 analytes) and three (12 analytes) values according to their sensitivity to hemolysis and their clinical impact. We used four calculation methods as significant limit from baseline value: the total change limit (TCL), the 10% change (10%Δ), the analytical change limit and the reference change value.

Results
Allowable HI was significantly different according to the threshold chosen for most analytes and was also dependent on the analyte value for alkaline phosphatase, alanine aminotransferase, aspartate aminotransferase, creatine kinase, iron, haptoglobin and high sensitivity troponin T. No hemolysis interference was observed for albumin, creatinine, C-reactive protein, and procalcitonin even at an HI value of 11 g/L.

Conclusions
This study highlights that TCL is the most appropriate calculation method to determine allowable HI in practice for biochemical and immunochemical parameters using Cobas 8000© from Roche Diagnostics. In addition, different allowable HI were found according to analyte value leading to optimization of resampling to save time in patient care.
The value of urine biochemical parameters in the prediction of the severity of coronavirus disease 2019
Authors: Liu Rui , Ma Qingfeng , Han Huan , Su Hanwen , Liu Fang , Wu Kailang , Wang Wei , Zhu Chengliang 
Published: April 2020

Abstract

Background
Among patients with coronavirus disease 2019 (COVID-19), the cases of a significant proportion of patients are severe. A viral nucleic acid test is used for the diagnosis of COVID-19, and some hematological indicators have been used in the auxiliary diagnosis and identification of the severity of COVID-19. Regarding body fluid samples, except for being used for nucleic acid testing, the relationship between COVID-19 and routine body fluid parameters is not known. Our aim was to investigate the value of urine biochemical parameters in the prediction of the severity of COVID-19.

Methods
A total of 119 patients with COVID-19 were enrolled at Renmin Hospital of Wuhan University. According to the severity of COVID-19, the patients were divided into three groups (moderate 67, severe 42 and critical 10), and 45 healthy persons were enrolled in the same period as healthy controls. The relationship between the results of urine biochemical parameters and the severity of COVID-19 was analyzed.

Results
The positive rates of urine occult blood (BLOOD) and proteinuria (PRO) were higher in COVID-19 patients than in healthy controls (p < 0.05); the urine specific gravity (SG) value was lower in patients than in healthy controls (p < 0.05), and the urine potential of hydrogen (pH) value was higher in patients than in healthy controls (p < 0.01). The positive rates of urine glucose (GLU-U) and PRO in the severe and critical groups were higher than those in the moderate group (p < 0.01 and p < 0.05, respectively); other biochemical parameters of urine were not associated with the severity of COVID-19.

Conclusions
Some urine biochemical parameters are different between patients with severe acute respiratory syndrome (SARS)-CoV-2 and healthy controls, and GLU-U and PRO may be helpful for the differentiation of COVID-19 severity.
Routine blood tests as a potential diagnostic tool for COVID-19
Authors: Ferrari Davide , Motta Andrea , Strollo Marta , Banfi Giuseppe , Locatelli Massimo 
Published: April 2020

Abstract

Objectives
The outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) to date, the epidemic has gradually spread to 209 countries worldwide with more than 1.5 million infected people and 100,000 deaths. Amplification of viral RNA by rRT-PCR serves as the gold standard for confirmation of infection, yet it needs a long turnaround time (3–4 h to generate results) and shows false-negative rates as large as 15%–20%. In addition, the need of certified laboratories, expensive equipment and trained personnel led many countries to limit the rRT-PCR tests only to individuals with pronounced respiratory syndrome symptoms. Thus, there is a need for alternative, less expensive and more accessible tests.

Methods
We analyzed the plasma levels of white blood cells (WBCs), platelets, C-reactive protein (CRP), aspartate aminotransferase (AST), alanine aminotransferase (ALT), γ-glutamyl transpeptidase (GGT), alkaline phosphatase and lactate dehydrogenase (LDH) of 207 patients who, after being admitted to the emergency room of the San Raffaele Hospital (Milan, Italy) with COVID-19 symptoms, were rRT-PCR tested. Of them, 105 tested positive, whereas 102 tested negative.

Results
Statistically significant differences were observed for WBC, CRP, AST, ALT and LDH. Empirical thresholds for AST and LDH allowed the identification of 70% of either COVID-19-positive or -negative patients on the basis of routine blood test results.

Conclusions
Combining appropriate cutoffs for certain hematological parameters could help in identifying false-positive/negative rRT-PCR tests. Blood test analysis might be used as an alternative to rRT-PCR for identifying COVID-19-positive patients in those countries which suffer from a large shortage of rRT-PCR reagents and/or specialized laboratory.
Full-Scale Experimental Study on the Single and Group of Soil-Cement Columns under Vertical Load Applying for Buildings
Authors: Do Huu-Dao , Pham Van-Ngoc , Phan Cao-Tho , Puppala Anand , Oh Erwin 
Published: April 2020

Abstract
This article presents the results of in-situ research on the soil-cement (SC) column as the foundation of buildings. A physical model was constructed consisting of two single SC columns, one group of three SC columns (G1), and another group of five SC columns (G2) with a diameter of 0.6 m and a length of 7.5 m. Among ten experimental columns, four SC columns were instrumented by strain gages to determine the load transfer and analysis of the skin and toe resistance distributions along the depth of the SC columns. These columns were constructed by the wet mixing method according to Japanese technology with two static blades to increase the quality of the mixture. The bearing capacity of the single SC column was measured as 1,180 kN, and the top and toe displacements were measured to be approximately 36.6 mm and 27.7 mm, respectively. For the group of SC columns, the skin resistance of the center and outer columns decreased by 4.17 % and 16.16 %, respectively, in comparison to the single column. The toe resistance of the SC column in the groups was significantly lower than that of the single column, from 45.10 % for the group G1, and up to 60.78 % for the group G2. The effect of the group of SC columns was also determined from the experiment with the group coefficients around 0.664 for group G1 and 0.554 for group G2. The research results from the full-scale model are essential in evaluating the group effects of the SC columns, especially in applications for the foundation of buildings.
Acceptance Sampling Scheme with Warranty for Life Testing Using Bayesian Inference Methods
Authors: Zhu Jianping , Sun Junge , Xin Hua , Zheng Chenlu , Tsai Tzong-Ru 
Published: April 2020

Abstract
We propose an empirical Bayesian (EB) procedure with a rebate warranty policy to search for optimal sampling plans for three-parameter Burr-type XII distribution (3pBXIID) under truncated life testing. The proposed method requires fewer assumptions than its competitors to search for optimal sampling plans when the lifetimes of products follow a 3pBXIID. The Newton–Raphson method using the quasi-Newton (QN) algorithm, the evolution algorithm method using the particle swarm optimization (PSO) algorithm and genetic algorithm (GA) are used in the proposed EB procedure to search for reliable estimates of the parameters in the Bayesian model, and the obtained estimates are denoted as QN-EB, PSO-EB, and GA-EB, respectively. The performance of the QN-EB, PSO-EB, and GA-EB estimates were evaluated by performing Monte Carlo simulations. The simulation results show that the PSO-EB method outperforms the GA-EB and QN-EB methods in obtaining reliable estimates of the parameters in terms of bias and mean squared error. A grid-searching algorithm with the plug-in parameters of PSO-EB estimates to search for the optimal EB sampling plans is presented. Two examples pertaining to the lifetime of an oil-well pump in a sucker-rod oil pumping system and the first failure time of a small electric cart are used to illustrate the application of the proposed EB method.
Sex-Selective Effects on Behavior in a Mouse Model of Tuberous Sclerosis Complex
Authors: Saré Rachel Michelle , Lemons Abigail , Figueroa Christopher , Song Alex , Levine Merlin , Beebe Smith Carolyn 
Published: April 2020

AbstractTuberous sclerosis complex (TSC) is an autosomal dominant genetic disorder that is caused by a mutation in eitherTSC1orTSC2. TSC affects multiple systems of the body, and patients with TSC display a range of neurologic and behavioral manifestations including seizures, intellectual disability, autism spectrum disorders, attention deficit hyperactivity disorder, anxiety, and mood disorders. Whereas behavioral phenotypes of many mouse models have been studied, the effects of sex have, for the most part, not been explored. We studied adult male and femaleTsc2heterozygous and control mice to investigate the influence of sex and genotype on behavior. On a test of social preference,Tsc2heterozygous mice, regardless of sex, demonstrated lower preference for the stranger mouse than control mice. In the open field,Tsc2heterozygous males and control females habituated to the open field with decreasing anxiety-like behavior over time, whereasTsc2heterozygous females did not show habituation to the open field environment. We did not find any statistically significant effects of genotype on open field activity, learning and memory or motor function. Our results highlight phenotype differences inTsc2heterozygous mice, some of which are influenced by sex. A consideration of how sex influences the behavioral phenotypes of TSC is critical to develop a more complete understanding of the disorder and better target future pharmacological treatments.