bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interpretation of machine learning models using shapley values: application to compound potency and multi-target activity predictions
Authors: Rodríguez-Pérez Raquel , Bajorath Jürgen 
Published: May 2020

AbstractDifficulties in interpreting machine learning (ML) models and their predictions limit the practical applicability of and confidence in ML in pharmaceutical research. There is a need for agnostic approaches aiding in the interpretation of ML models regardless of their complexity that is also applicable to deep neural network (DNN) architectures and model ensembles. To these ends, the SHapley Additive exPlanations (SHAP) methodology has recently been introduced. The SHAP approach enables the identification and prioritization of features that determine compound classification and activity prediction using any ML model. Herein, we further extend the evaluation of the SHAP methodology by investigating a variant for exact calculation of Shapley values for decision tree methods and systematically compare this variant in compound activity and potency value predictions with the model-independent SHAP method. Moreover, new applications of the SHAP analysis approach are presented including interpretation of DNN models for the generation of multi-target activity profiles and ensemble regression models for potency prediction.
Design and locomotion analysis of two kinds of rolling expandable mobile linkages with a single degree of freedom
Authors: Hao Yanlin , Tian Yaobin , Wu Jianxu , Li Yezhuo , Yao Yan-An 
Published: May 2020

AbstractThis study presents two kinds of rolling robots that are able to roll by deforming their outer shapes with a single degree of freedom. Each robot is an essential multi-loop planar expandable linkage constructed by a concave outer loop and several inner parallelogram loops. In this study, the mechanical design of the robots is introduced. Dynamic rolling process is further analyzed on the basis of zero moment point method, and a morphing strategy is proposed to guarantee a stable dynamic rolling process. A novel passive rolling locomotion is also developed, which enables the robots to roll and stand on a slope. To verify the design, two prototypes are manufactured, wherein the dynamic and passive rolling locomotion are carried out.
Investigation of optical laser beam impairment on hypergolic lunarlander exhaust plumes for a lidar feasibility study
Authors: Stützer Robert , Kraus Stephan , Oschwald Michael 
Published: May 2020

AbstractPlumes of two hypergolic bipropellant thrusters of a LunarLander application, developed by ArianeGroup® Lampoldshausen, were optically examined regarding their potential to interfere with laser beams of a nearby LIDAR system. On one hand, hot exhaust gas of a 22 N Vernier thruster was used to investigate the scattering of a λ = 632.8 nm HeNe laser beam. A series of several engine pulse modes were conducted. An obvious correlation between engine pulse duration and backscattered light intensity is revealed. The shortest pulses result in the most intense backscattering, indicating an incomplete combustion process between the hypergolic constituents MMH = monomethylhydrazine and NTO = (di)nitrogen tetroxide for very short pulse lengths. On the other hand, a prolonged pulse mode of 120 ms firing time causes only marginal deflection of the laser beam. Furthermore, steady operation leads to a negligible signal of backscattered photons, accompanied by increasing emission bands of combustion products such as CN, O2, and CO2. However, the disappearance of the OH* emission band, typical for this hypergolic combustion, shows a nearly complete reaction of the hydroxyl radical within the combustor for all pulse modes. Mie scattering calculations show a correlation between the incident laser beam wavelength and the backscattered light intensity. On the other hand, near infrared spectroscopy on the exhaust plume of a 500 N apogee thruster revealed that interfering flame emission and absorption in the optical range around λ = 1064 nm can be neglected. The relatively intense flame emission measured for λ ≥ 1300 nm, on the other hand, is a potential risk for the application of a laser beam of a similar wavelength.
Loving-Kindness Meditation Promotes Mental Health in University Students
Authors: Totzeck Christina , Teismann Tobias , Hofmann Stefan G. , von Brachel Ruth , Pflug Verena , Wannemüller Andre , Margraf Jürgen 
Published: May 2020

Abstract
Objectives
Loving-kindness meditation (LKM) has been shown to improve wellbeing and positive emotions in clinical and non-clinical populations. The main goal of the present study was to examine whether LKM might be an effective intervention to promote positive mental health using the Positive Mental Health Scale (PMH) and to decrease depression, anxiety, and stress in university students.

Methods
The sample (n = 110) consisted of university students in Germany. One half of them (n = 55) underwent LKM intervention. They were compared with a matched control group (n = 55) which did not receive treatment. All participants completed positive and negative mental health measures at baseline and 1-year follow-up assessments. LKM participants additionally completed the same measures before and after treatment. Multiple analyses of variance were conducted to test for short- and long-term effects of LKM on positive and negative mental health measures.

Results
A significant short-term effect of LKM on anxiety and PMH was found. Long-term analyses revealed a significant decrease of depression, anxiety, and stress for LKM completers, and a significant increase of depression, anxiety, and stress for the control group.

Conclusions
The results suggest that LKM enhances mental health in university students.
Excellent tribological properties of epoxy—Ti3C2 with three-dimensional nanosheets composites
Authors: Meng Fanning , Zhang Zhenyu , Gao Peili , Kang Ruiyang , Boyjoo Yash , Yu Jinhong , Liu Tingting 
Published: May 2020

AbstractAs a widely used engineering polymer, epoxy resin has been successfully employed in high-performance components and setups. However, the poor thermal and friction properties of traditional epoxy resin greatly limit its application in many extreme environments. In this work, a new kind of epoxy-Ti3C2 with three-dimensional nanosheets (3DNS) composite which was designed by freeze-drying method showed up excellent thermal and friction properties. As a result, the coefficient of thermal expansion (CTE) of epoxy-Ti3C2 3DNS 3.0 composites was 41.9 ppm/K at 40 °C, which was lower than that of the traditional epoxy resin (46.7 ppm/K), and the thermal conductivity (TC) was also improved from 0.176 to 0.262 W/(m·K). Meanwhile, epoxy-Ti3C2 3DNS 1.0 composites showed up the best friction property, with wear rate 76.3% lower than that of epoxy resin. This work is significant for the research of high-performance composite materials.
Winter Climate Shapes Spring Phytoplankton Development in Non‐Ice‐Covered Lakes: Subtropical Lake Taihu as an Example
Authors: Deng Jianming , Zhang Wei , Qin Boqiang Q. , Zhang Yunlin , Salmaso Nico , Jeppesen Erik 
Published: May 2020

AbstractWinter warming plays a vital role in spring phytoplankton community succession in temperate lakes due to variation of ice cover duration in winter. How winter conditions affect spring phytoplankton in subtropical lakes without winter ice cover is, however, largely unknown. In this study, covering 26 years, we elucidated the effects of both climate conditions and nutrient levels in winter on the phytoplankton community (expressed as Morpho‐Functional Groups) in spring in Lake Taihu, a large shallow subtropical lake in China. During this period, wind speed declined significantly in both winter and spring from 1992 to 2017 and the sunshine hours increased slightly from 2000 to 2017. The biomass of eight dominant phytoplankton groups showed increasing trends from 1992 to 2017, while it declined for one group, which mainly included filamentous green algae such as Ulothrix sp. Nonmetric multidimensional scaling (NMDS) results indicated that wind speed and sunshine duration in winter and spring were the most important factors affecting the spring phytoplankton community in Lake Taihu. Also, partial least squares path modeling (PLS‐PM) suggested that the spring phytoplankton community was strongly affected by winter conditions. Our study indicated that the “climate memory” effects on phytoplankton, resulting from winter and acting on the following spring, not only occur in north temperate winter ice‐covered shallow lakes but also in subtropical lakes without ice‐covered in winter.
A high-quality reference genome of wild Cannabis sativa
Authors: Gao Shan , Wang Baishi , Xie Shanshan , Xu Xiaoyu , Zhang Jin , Pei Li , Yu Yongyi , Yang Weifei , Zhang Ying 
Published: May 2020

AbstractCannabis sativais a well-known plant species that has great economic and ecological significance. An incomplete genome of clonedC. sativawas obtained by using SOAPdenovo software in 2011. To further explore the utilization of this plant resource, we generated an updated draft genome sequence for wild-type varieties ofC. sativain China using PacBio single-molecule sequencing and Hi-C technology. Our assembled genome is approximately 808 Mb, with scaffold and contig N50 sizes of 83.00 Mb and 513.57 kb, respectively. Repetitive elements account for 74.75% of the genome. A total of 38,828 protein-coding genes were annotated, 98.20% of which were functionally annotated. We provide the first comprehensivede novogenome of wild-type varieties ofC. sativadistributed in Tibet, China. Due to long-term growth in the wild environment, these varieties exhibit higher heterozygosity and contain more genetic information. This genetic resource is of great value for future investigations of cannabinoid metabolic pathways and will aid in promoting the commercial production ofC. sativaand the effective utilization of cannabinoids. The assembled genome is also a valuable resource for intensively and effectively investigating theC. sativagenome further in the future.
Risk Factors of Asymptomatic Neurocognitive Impairment in People Living with HIV in an Indian Cohort
Authors: Gupta Salil , Venugopal Nirmala 
Published: May 2020

Abstract

Background Asymptomatic neurocognitive impairment (ANI) in people living with HIV (PLWH) can lower quality of life, reduce drug compliance, increase unemployment, and reduce life expectancy.

Objective This study was aimed to identify risk factors of ANI in PLWH in an Indian cohort and explore the usefulness of Mini Mental State Examination (MMSE) and Montreal Cognitive Assessment Score (MoCA) as screening tools.

Methods PLWH under follow-up at an antiretroviral treatment center who were 18 to 60 years were included in this study. Patients were excluded if they had any cognitive symptoms, previous history of any central nervous system (CNS) pathology, or any systemic illness. Included patients were subjected to domain wise standardized neuropsychological battery. Six domains were screened including language, attention, speed, memory, sensory motor skills, and executive. Abnormal dysfunctional scores in at least two domains were taken as suggestive of ANI. The two groups thus created, ANI and normal cognition, were evaluated for differences. Variables evaluated as risk factors included age, sex, handedness, education, presence of at least one vascular risk factor, duration of disease, biochemical profile, cluster of differentiation 4 (CD4) count (both current and nadir) HIV viral load, and use of antiretroviral therapy (ART) and its CNS penetration effectiveness (CPE). MMSE and MoCA were also done in all patients.

Statistical Analysis Regression analysis was used to find out significant variables. MMSE and MoCA scores were correlated using Spearman’s correlation coefficient. Sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) were also determined

Results Three hundred and eighty-four patients were included out of which 185 (48%) had ANI. In the multivariate regression analysis, female sex with odds Ratio (OR) of 1.89 (95% confidence interval [CI]: 1.21–2.79, p < 0.01), education below 10 years with OR = 2.43 (95% CI: 1.56–3.80, p < 0.01) and presence of at least one vascular risk factor with OR = 2.52 (95% CI: 1.67–3.80, p < 0.01) were found to be significant. Both MMSE and MoCA had a high PPV (0.99 and 0.97, respectively) but poor NPV (0.64 and 0.75) below a score of 25 with MoCA scoring slightly better. Both, MMSE and MoCA correlated well with each other.

Conclusion Nearly half of our patients had ANI, despite being on ART. Majority of patients were on ART with CPE > 7 and had relatively preserved immune status. Female HIV patients with at least one vascular risk factor and less than 10 years of formal education were found to be at risk for ANI. MMSE and MoCA are not good screening tools to identify this condition.
Cost-Effective Home Mechanical Ventilation in Neurosurgery Patients: Case Series of Three Patients
Authors: Agrawal Deepak , Chandra PS , Singh PK , Meena R , Doddamani R , Jagdevan A , Mishra S , Garg K 
Published: May 2020

Abstract

Background Neurological patients who are ventilator-dependent occupy scarce beds in the hospitals for prolonged periods of time. Most, if not all, can be discharged on home mechanical ventilation (HMV). However, due to lack of insurance and state support, it remains prohibitively expensive for the vast majority of those who require it most.

Materials and Methods The authors discuss three patients admitted in the Department of Neurosurgery between January and August 2019, who were discharged on HMV after remaining on ventilator support for prolonged period in the hospital. Each patient was discharged with two units (one as standby) of AgVa home ventilator (AgVa Healthcare; New Delhi, India), one Ambu-bag, one pulse oximeter, and one backup power supply unit capable of supplying power to ventilator for a minimum of 24 hours. All the equipment were given free-of-cost through donations by hospital staffs and other donors. All patients were followed up telephonically from their homes and the incidence of complications, ventilator malfunction, and additional cost of HMV on the families were ascertained.

Observation and Results Of the three patients, two were male and one female. Age ranged from 12 to 17 years. The duration of in-hospital ventilator support prior to discharge on HMV varied from 1 to 5 years. There was no insurance cover available for any of the patients with all expenses being “out of pocket.” The equipment cost Indian Rupees (INR) 115,700 (USD 1,615: two units of AgVa home ventilator costing INR 100,000 [USD 1,396], one Ambu-bag costing INR 1,100 [USD 15], one pulse oximeter costing INR 1,600 [USD 22], and one backup power supply unit costing INR 13,000 [USD 182]). Discharge on HMV was planned on specific request from patients’ families and informed consent was taken from all. All patients had tracheostomies. Mode of HMV was pressure support ventilation in all. Telephonic follow-up ranged from 1 to 7 months. The cost of disposables was INR 100 per month (USD 0.7) for all the patients. No complications occurred in any patient. There was no incidence of ventilator-associated pneumonia (VAP) or ventilator malfunction.

Conclusions Availability of cost-effective indigenous ventilator like AgVa home has made HMV possible, even for poor patients with neurological diseases, and has the potential to improve quality of life, decrease VAP rates, and free up scarce ventilator beds in hospitals. Longer-term follow-up in larger number of patients will improve the data on safety and feasibility in developing countries like India.
Study of Risk Factors Associated with Suicide Attempt in Patients with Bipolar Disorder Type I
Authors: Subramanian Karthick , Menon Vikas , Sarkar Siddharth , Chandrasekaran Vigneshvar , Selvakumar Nivedhitha 
Published: May 2020

Abstract

Background Suicide is the leading contributor to mortality in bipolar disorder (BD). A history of suicidal attempt is a robust predictive marker for future suicide attempts. Personality profiles and coping strategies are the areas of contemporary research in bipolar suicides apart from clinical and demographic risk factors. However, similar research in developing countries is rarer.

Objectives The present study aimed to identify the risk factors associated with suicidal attempts in BD type I (BD-I).

Materials and Methods Patients with BD-I currently in clinical remission (N = 102) were recruited. Sociodemographic details and the clinical data were collected using a semistructured pro forma. The psychiatric diagnoses were confirmed using the Mini-International Neuropsychiatric Interview 5.0. The National Institute of Mental Health–Life Chart Methodology Clinician Retrospective Chart was used to chart the illness course. Presumptive Stressful Life Events Scale, Coping Strategies Inventory Short Form, Buss–Perry aggression questionnaire, Past Feelings and Acts of Violence, and Barratt Impulsivity scale were used to assess the patient’s stress scores, coping skills, aggression, violence, and impulsivity, respectively.

Statistical Analysis Descriptive statistics were used for demographic details and characteristics of the illness course. Binary logistic regression analyses were performed to identify the predictors for lifetime suicide attempt in BD-I.

Results A total of 102 patients (males = 49 and females = 53) with BD-I were included. Thirty-seven subjects (36.3%) had a history of suicide attempt. The illness course in suicide attempters more frequently had an index episode of depression, was encumbered with frequent mood episodes, especially in depression, and had a higher propensity for psychiatric comorbidities. On binary logistic regression analysis, the odds ratios (ORs) for predicting a suicide attempt were highest for positive family history of suicide (OR: 13.65, 95% confidence interval [CI]: 1.28–145.38, p = 0.030), followed by the presence of an index depressive episode (OR: 6.88, 95% CI: 1.70–27.91, p = 0.007), and lower scores on problem-focused disengagement (OR: 0.72, 95% CI: 0.56–0.92, p = 0.009).

Conclusion BD-I patients with lifetime suicide attempt differ from non-attempters on various course-related and temperamental factors. However, an index episode depression, family history of suicide, and lower problem-focused engagement can predict lifetime suicide attempt in patients with BD-I.
Haematological Effects of Intermittent Pneumatic Compression for Deep Vein Thrombosis Prophylaxis
Authors: Morris Rhys J. , Roberts C. Heledd 
Published: May 2020

AbstractIntermittent pneumatic compression (IPC) is a widely used and recommended method to prevent deep vein thrombosis. While the haemodynamic effects of IPC are well understood, the objective of this systematic review was to analyse the evidence for additional haematological changes. Forty-eight studies were identified where the haematological effects of IPC were measured. The many differences between the studies prevented meta-analysis, but there was a significant amount of evidence that global fibrinolytic activity was increased by IPC, and that levels of D-dimer and tissue factor pathway inhibitor in the blood also increased. There was less consistent evidence for changes in tissue plasminogen activator, plasminogen activator inhibitor and other fibrinolytic parameters. The evidence for changes in pro-coagulant factors and many measures of platelet activation was weak, but there was evidence for increases in prostacyclin. There is sufficient evidence to conclude that IPC does produce haematological changes, but not enough data to clarify the detail of those changes or to determine if it is mediated more by direct compression of the blood vessels, or by the flow changes.
Transcranial Doppler for Monitoring and Evaluation of Idiopathic Intracranial Hypertension
Authors: R. Pradeep , Gupta Dhananjay , Shetty Nikith , Bhushan Anjani Kumar , Haskar Krishna , Gogineni Sujana , Mehta Anish , Javali Mahendra , Acharya Purshottam T. , Srinivasa Rangasetty 
Published: May 2020

Abstract

Background Idiopathic intracranial hypertension (IIH) is a disorder of unknown origin, characterized by features of raised intracranial pressure (ICP). Existing literature is inconclusive about the role of transcranial Doppler (TCD) in the management of IIH.

Objective To study the TCD changes in IIH patients, pre- and post-cerebrospinal fluid (CSF) drainage.

Materials and Methods This was a prospective study, conducted between July 2017 and December 2019, in a tertiary care referral center in South India. Sixteen consecutive patients, suspected to have IIH, underwent magnetic resonance imaging ofthe brain, a baseline TCD, and lumbar puncture with CSF drainage and pressure monitoring. Post-CSF drainage, TCD was repeated and mean flow velocities, peak systolic velocities, end-diastolic velocities, and pulsatility index (PI), in the middle cerebral artery (MCA), vertebral artery, and basilar artery (BA) were noted. Thirteen patients had elevated CSF pressure, and fulfilled the diagnostic criteria for IIH. These patients were included in the final analysis and pre- and post-CSF drainage TCD blood flow velocities and PI were compared.

Results The mean age of study participants was 29.92 ± 6.92 years. There was a significant reduction in the cerebral flow velocities in bilateral MCA, after CSF drainage and normalization of ICP. Flow velocities in posterior circulation and PI in MCA, PCA, and BA showed an insignificant reduction. Two patients, who did not show any reduction in flow velocities after CSF drainage, developed optic atrophy on follow-up.

Conclusion TCD-derived systolic blood flow velocities can be used in the management and follow-up of patients with IIH.
Polarised luminescence of bismuth active centres in germanosilicate glasses
Authors: Riumkin K.E. , Firstov S.V. , Khegai A.M. , Kharakhordin A.V. , Alyshev S.V. , Melkumov M.A. 
Published: May 2020

Abstract
We have studied polarised luminescence of bismuth active centres in germanosilicate glasses. The 1.4-μm luminescence components with orthogonal polarisation states under excitation with linearly polarised light at λ = 1.26 μm have been shown to differ in intensity. The degree of polarisation reaches ∼0.12. Increasing the concentration of bismuth active centres leads to a decrease in the degree of polarisation of luminescence in the range studied.
Possibility of reducing nonlinear distortions of a frequency response of a gas ring laser with a periodic alternating frequency bias
Authors: Zolotoverkh I.I. , Lariontsev E.G. 
Published: May 2020

Abstract
We report a theoretical study of the dependence of the beat frequency of counterpropagating waves on the rotation velocity in a gas ring laser with a periodic alternating frequency bias. Rectangular biases of two types are considered: with constant amplitude and with periodic amplitude modulation. We have found dynamic zones for locking-in the counterpropagating wave frequencies and determined deviations of the frequency response from the ideal one that arise when measuring frequency nonreciprocities, close in magnitude to the amplitude of an alternating frequency bias. It is shown that in the case of a rectangular bias with periodic amplitude modulation, nonlinear distortions of the frequency response can be reduced by an order of magnitude.
The influence of waveguide doping on the output characteristics of AlGaAs/GaAs lasers
Authors: Telegin K.Yu. , Ladugin M.A. , Andreev A.Yu. , Yarotskaya I.V. , Volkov N.A. , Padalitsa A.A. , Lobintsov A.V. , Aparnikov A.N. , Sapozhnikov S.M. , Marmalyuk A.A. 
Published: May 2020

Abstract
The influence of doping of waveguide layers on the output characteristics of lasers based on AlGaAs/GaAs double separate-confinement heterostructures is analysed. The heterostructures with narrow and broadened waveguides are studied. Samples of laser diode bars with undoped and doped waveguide layers are experimentally fabricated and compared. It is shown that the latter type of structures with a broadened waveguide allows one to increase the output power of the laser diode bars by 10 % – 15 %, all other conditions being equal.