Category: Statistics

J Phys Condens Matter. 2022 Feb 14. doi: 10.1088/1361-648X/ac54e3. Online ahead of print.

ABSTRACT

The Kohn-Sham density functional theory (KS-DFT) with the long-range corrected (LC) functional is applied to the benchmark dataset of 401 valence ionization potentials (IP) of 63 small molecules of Chong, Gritsenko and Baerends (the CGB set). The vertical ionization potentials (IP) of the CGB set are estimated as negative orbital energies within the context of the Koopmans’ prediction using the LCgau-core range-separation scheme in combination with PW86-PW91 exchange-correlation functional. The range separation parameterμof the functional is tuned to minimize the error of the negative HOMO orbital energy from experimental IP. The results are compared with literature data, including ab initio IP variant of the equation-of-motion coupled cluster theory with singles and doubles (IP-EOM-CCSD), the negative orbital energies calculated by KS-DFT with the statistical averaging of orbital potential (SAOP), and those with the QTP family of functionals. The optimally tuned LC functional performs better than other functionals for the estimation of valence level IP. The mean absolute deviations (MAD) from experiment and from IP-EOM-CCSD are 0.31 eV (1.77 %) and 0.25 eV（1.46 %）, respectively. LCgau-core performs quite well even with fixedμ(not system-dependent). Aμvalue around 0.36 bohr^-1gives MAD of 0.40 eV (2.42%) and 0.33 eV (1.96%) relative to experiment and IP-EOM-CCSD, respectively. The LCgau-core-PW86-PW91 functional is efficient alternative to IP-EOM-CCSD and it is reasonably accurate for outer valence orbitals. We have also examined its application to core ionization energies of C(1s), N(1s), O(1s) and F(1s). The C(1s) core ionization energies are reproduced reasonably (MAD of 46 cases is 0.76 eV (0.26 %)) but N(1s), O(1s) and F(1s) core ionization energies are predicted less accurately.

PMID:35158348 | DOI:10.1088/1361-648X/ac54e3

Seizure. 2022 Feb 5;96:79-85. doi: 10.1016/j.seizure.2022.01.019. Online ahead of print.

ABSTRACT

BACKGROUND: Super-refractory status epilepticus (SRSE) is extremely difficult to control and associated with poor outcomes. Ketogenic diet (KD) has been increasingly used for SRSE treatment. Enteral ketosis induction in SRSE is sometimes unfeasible, leading to the use of parenteral KD which has limited data among children.

OBJECTIVES: To assess the effectiveness of KD and compare parenteral and enteral ketosis induction as treatment options in pediatric SRSE patients.

METHODS: This study is a retrospective medical record review of children < 15 years old diagnosed with SRSE who received KD as one of the treatment modalities during 2007-2021 at King Chulalongkorn Memorial Hospital, Thailand.

RESULTS: KD was used in 14 (77.8%) of the 18 pediatric SRSE cases whose age ranged from 2 months to 13.5 years. The leading etiologies of SRSE were immune-mediated encephalitis, infectious encephalitis, and epilepsy. Ketosis was induced via enteral route (kEN) in 8/14 and parenteral route (kPN) in 6/14 cases. The median time from the onset of SRSE to KD initiation was 6 days (IQR 4.8-9.3) with no demonstrable difference between groups. The median time to achieve significant ketosis was significantly shorter in the kPN (2 days; IQR 1.8-4) compared to the kEN group (5 days (3.3-7.8)). Nonetheless, the median time after ketosis induction to SRSE termination when anesthetic infusion was stopped was not statistically difference between the kPN (14 days; IQR 8.5-18) and the kEN group (10.5 days (5.5-15.3)). Hypertriglyceridemia was found more in the kPN (6/6, 100%) compared to the kEN group (3/8, 37.5%). All survivors (12/14) were seizure free at discharge.

CONCLUSION: Parenteral ketosis induction achieved the target ketosis quicker than enteral induction but showed no difference in efficacy and duration for SRSE termination in our study. The adverse effects were minimal and controllable. Both parenteral and enteral KD could be considered early during SRSE treatment.

PMID:35158320 | DOI:10.1016/j.seizure.2022.01.019

Eur J Oncol Nurs. 2022 Feb 1;57:102098. doi: 10.1016/j.ejon.2022.102098. Online ahead of print.

ABSTRACT

PURPOSE: This study aimed to investigate the influence of type D personality on quality of life in patients with lung cancer.

METHODS: A correlational, cross-sectional research design was used. A convenience sample of 136 patients with lung cancer were recruited from an outpatient pulmonology clinic. Data collection was performed using a structured questionnaire between July and August 2019. Data analyses included descriptive statistics, an independent t-test, a one-way ANOVA, the χ² test, an ANCOVA, Pearson’s correlation coefficients, and hierarchical regression analysis, which were performed using the SPSS WIN 25.0 program.

RESULTS: Type D personality was identified in 18.4% of the participants. Patients with type D personality had poorer quality of life and experienced more cancer stigma and more severe symptoms. Type D personality had the strongest association with quality of life among patients with lung cancer, followed by cancer stigma and symptoms. Poor quality of life was associated with non-married status and higher Eastern Cooperative Oncology Group grade.

CONCLUSIONS: Type D personality, stigma, symptoms, and demographic and clinical factors should be considered when assessing quality of life in patients with lung cancer. Interventions that reflect these factors, including type D personality, may help enhance quality of life for patients with lung cancer in oncology nursing practice.

PMID:35158321 | DOI:10.1016/j.ejon.2022.102098

Waste Manag. 2022 Feb 11;141:271-281. doi: 10.1016/j.wasman.2022.02.004. Online ahead of print.

ABSTRACT

In this study, NASA’s VIIRS (Visible Infrared Imaging Radiometer Suite) fire hotspots and data of the Swedish Civil Contingencies Agency (MSB), collected between 2012 and 2018, was integrated to characterize waste fire incidents that were detected by VIIRS and reported to MSB (DaR), detected by VIIRS but not reported to MSB (DbNR) and that are reported to MSB but not detected by VIIRS (RbND). Results show that the average number of open waste fire incidents per million capita per year (AFIPMC) in Sweden, for the period 2012-2018, ranges from 2.4 to 4.7. Although a weak correlation exists (r = 0.44, P = 0.1563, one tailed) between years and number of fire incidents (MSB + VIIRS fires), a continuous increase in number of fire incidents was recorded between 2014 and 2018. It is concluded that the use of satellite data of fire anomalies, in-combination with the use of incident reports, will help in formalizing more reliable and comprehensive waste fire statistics. Another focus area of the article is to consolidate the recommendations and routines for safe storage of waste and biofuels and to present the lessons that can be learnt from past fire incidents. The article also discusses the technical, political, economic, social, and practical aspects of waste fires and provide a baseline for future research and experimentation.

PMID:35158312 | DOI:10.1016/j.wasman.2022.02.004

J Psychiatr Res. 2021 Dec 15;147:349-356. doi: 10.1016/j.jpsychires.2021.12.011. Online ahead of print.

ABSTRACT

This study examined if lithium’s association with suicide risk varies by diagnosis. We performed separate 1:1 high-dimensional propensity score (hdPS)-matching in US Veterans with and without bipolar disorder starting lithium or valproate. Among individuals with bipolar disorder, actively receiving lithium (compared to valproate) was not associated with suicide risk. However, in intent-to-treat analyses (following all individuals with bipolar disorder starting lithium or valproate for all 365 days, regardless of whether they stopped the medication), starting lithium was significantly associated with higher one-year risks of suicide (HR = 1.50, 95% CI: 1.05-2.15, p = 0.03). These intent-to-treat risks were attributable entirely to transiently elevated suicide risks observed among individuals no longer receiving lithium (significant at 180 days [HR = 6.10, CI: 1.37-27.3, p = 0.02] but not 365 days [HR = 2.05, CI: 0.88-4.79, p = 0.10]). Among individuals without bipolar disorder, depending on the analysis, actively receiving lithium was associated with nonsignificantly (HR = 0.43, CI: 0.15-1.20, p = 0.11) or significantly (HR = 0.28, CI: 0.08-0.98, p = 0.047) decreased one-year suicide risks. Study limitations included limited power, brief follow-up, and potential residual confounding. Residual confounding is suggested by the observation that more individuals diagnosed with suicidal ideation started lithium than valproate (with this difference being statistically significant for individuals with bipolar disorder, p = 0.0012). If it were possible to correct for this potential confounding, then the suicide-related risks associated with among individuals discontinuing lithium would be expected to be less, and the suicide-related benefits associated with actively receiving lithium (already statistically significant in some analyses among individuals without bipolar disorder) would be expected to increase. Further research is needed.

PMID:35158303 | DOI:10.1016/j.jpsychires.2021.12.011

Sleep Med. 2022 Jan 13;90:135-141. doi: 10.1016/j.sleep.2022.01.007. Online ahead of print.

ABSTRACT

OBJECTIVE/BACKGROUND: This retrospective non-randomized controlled cohort study aimed to evaluate the efficiency of simultaneous maxillary expansion and mandibular advancement for the management of pediatric OSAS.

PATIENTS/METHODS: The sample was composed of 94 children treated with an innovative orthopedic device to correct a Class II malocclusion associated with an OSAS. Polysomnographic recordings were performed before and after the treatment. We also included a group of 113 age-matched control patients who had the same pathologies, but who did not receive the orthopedic treatment at the time they undergone polysomnographic exams. Statistical tests evaluated the significance of the evolution of these data, both in treated and untreated control patients.

RESULTS: After nine months (±3 months) of treatment, respiratory OSAS symptoms significantly improved: the AHI significantly decreased as it became inferior to the pathological threshold (<1) for 53% of the treated patients’ sample, with a greater proportion within the youngest age group (63%). Only two patients still presented a moderate OSAS after treatment, with an AHI slightly superior to 5. This positive evolution of OSAS respiratory symptoms was not observed within the control group, highlighting the real impact of the orthopedic treatment over the children’s natural growth. However, sleep remained fragmented following the treatment.

CONCLUSIONS: This study confirmed that simultaneous maxillary expansion and mandibular advancement induced a modification of the maxilla-mandibular anatomy, helping in the significant improvement of the respiratory OSAS symptoms. Then, considering these preliminary results, pediatric OSAS can be managed with this new orthopedic strategy, especially if it is performed early.

PMID:35158293 | DOI:10.1016/j.sleep.2022.01.007

Sci Total Environ. 2022 Feb 7;823:153698. doi: 10.1016/j.scitotenv.2022.153698. Online ahead of print.

ABSTRACT

This study investigates the hypothesis that thermal adaptive opportunities available to building occupants affect their cognitive performance and mental workload. The change rate of cerebral blood flow (Δtotal Hb) was measured by Near Infra-Red Spectroscopy (NIRS) and interpreted as the metric of mental workload in subjects while performing cognitive tasks (n-back tests) with, or without access to thermal adaptive opportunities such as regulable fan-induced air flow and clothing insulation adjustment. Participants underwent three experimental conditions: Condition 22 (operative temperature t_o = 22 °C without adaptive opportunities), Condition 28 (t_o = 28 °C without adaptive opportunities), and Condition 28w (t_o = 28 °C with adaptive opportunities. Under Condition 28w, thermal sensations were neutral, while thermal satisfaction and comfort levels were higher than those reported for Condition 28, and the same as those reported under Condition 22. The subjects’ mean skin temperature under Condition 22 was the lowest at 32.1 °C, followed by Condition 28w at 33.6 °C, while the highest, 34.5 °C was recorded in Condition 28. No significant differences were observed in accuracy and reaction time of n-back tests between the three different environmental conditions. Under Condition 28w, mental fatigue levels and the left side Δ total Hb results were lowest out of all three conditions, although the differences failed to reach statistical significance. Availability of adaptive opportunities plays a role in expanding the range of thermal environmental conditions for optimal cognitive task performance in a moderately warm environment (t_o = 28 °C). This finding cannot be fully explained by the direct effect of adaptive behaviours on human heat balance and associated physiological responses, but the unexplained component may potentially be attributed to the psychological dimension of human adaptive response. These findings and their interpretation within an adaptive comfort framework are consistent with the extended-U hypothesis of cognitive performance.

PMID:35158287 | DOI:10.1016/j.scitotenv.2022.153698

Mult Scler Relat Disord. 2022 Feb 8;59:103682. doi: 10.1016/j.msard.2022.103682. Online ahead of print.

ABSTRACT

OBJECTIVES: To determine anti-SARS-Cov2 antibodies and T-cell immunity in convalescent people with multiple sclerosis (pwMS) and/or pwMS vaccinated against Covid-19, depending on the disease modifying therapy, and in comparison to healthy controls (HC).

METHODS: 75 participants were enrolled: Group 1-29 (38.7%) COVID-19 convalescent participants; Group 2-34 (45.3%) COVID-19 vaccinated; Group 3-12 (16.0%) COVID-19 convalescent participants who were later vaccinated against COVID-19. Cellular immunity was evaluated by determination of number of CD4+ and CD8+ cells secreting TNFα, IFNγ, and IL2 after stimulation with SARS-CoV-2 peptides.

RESULTS: pwMS treated with ocrelizumab were less likely to develop humoral immunity after COVID-19 recovery or vaccination. No difference was observed in the cellular immunity in all studied parameters between pwMS treated with ocrelizumab compared to HC or pwMS who were treatment naïve or on first line therapies. These findings were consistent in convalescent, vaccinated, and convalescent+vaccinated participants. COVID-19 vaccinated convalescent pwMS on ocrelizumab compared to COVID-19 convalescent HC who were vaccinated did not show statistically difference in the rate of seroconversion nor titers of SARS-CoV-2 antibodies.

CONCLUSION: Presence of cellular immunity in pwMS on B-cell depleting therapies is reassuring, as at least partial protection from more severe COVID-19 outcomes can be expected.

PMID:35158189 | DOI:10.1016/j.msard.2022.103682

Epilepsy Behav. 2022 Feb 11;128:108586. doi: 10.1016/j.yebeh.2022.108586. Online ahead of print.

ABSTRACT

OBJECTIVE: Developmental and epileptic encephalopathies (DEE) entail moderate to profound communication and other impairments that are poorly measured by typical clinical outcomes assessments (COA). We examined the potential of alternative approaches, specifically, the use of raw scores and COAs outside of their intended age ranges.

METHODS: In a cross-sectional survey, 120 parents of children with Dravet Syndrome, Lennox-Gastaut syndrome, KCNQ2-DEE, KCNB1-DEE, and SCN2A-DEE (ages 1-35 years) completed the Adaptive Behavior Assessment System-3 for ages 0-5 years, modified checklist for autism (mCHAT), communication and social behavior scales (CSBS), communication matrix (CM), and several parent-reported classifiers of communication. Adaptive Behavior Assessment System communication and social raw scores were the primary and adjunctive outcomes. Floor and ceiling effects, dispersion and convergence with related measures were assessed with appropriate parametric and nonparametric statistical techniques.

RESULTS: Median chronological age (CA) was 8.7 years (Interquartile range (IQR): 5.3-13.5). Adaptive Behavior Assessment Systemcommunication and social age equivalents were 12.5 months (IQR 7.5-28) and 16.5 months (IQR 9-31). Most raw scores corresponded to standardized scores indicating performance <3 standard deviations below the general population mean. Adaptive Behavior Assessment System raw scores demonstrated minimal floor and ceiling effects (<1-2.5%). In linear regression models, scores correlated with age under 6 years (communication, p = 0.001; social, p = 0.003) but significantly flattened out thereafter. Scores varied substantially by DEE group (both p < 0.001) and decreased with higher convulsive seizure frequency (communication, p = 0.01, social, p = 0.02). There was good convergence with mCHAT, CSBS, and CM scores (all r > 0.8).

SIGNIFICANCE: Raw scores and out-of-range COAs may provide measures that are sensitive at the very limited levels of functioning typical of profoundly impaired, older patients with DEEs. To ensure that targeted trial outcomes are responsive to meaningful change, development of these approaches will be essential to clinical trial readiness for novel therapies for rare DEEs.

PMID:35158285 | DOI:10.1016/j.yebeh.2022.108586

J Pharm Biomed Anal. 2022 Feb 8;212:114630. doi: 10.1016/j.jpba.2022.114630. Online ahead of print.

ABSTRACT

A sensitive and selective Ultra-performance liquid chromatography-mass spectrometry (UPLC-MS/MS) method was developed for the identification and quantification of two potential genotoxic impurities (PGIs) – viz. methyl N-((2′-(1H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-N-nitroso-L-valinate (PGI-1) and N-nitroso Valsartan (PGI-2) – in the angiotensin II receptor blocker valsartan. Among these impurities, PGI-1 is a distinctive compound which has never been reported. For this, chromatographic separation was performed using a Waters XBridge BEH C18 column (150 mm × 4.6 mm, 2.5 µm), with ammonium acetate aqueous solution (0.01 mol/L) as mobile phase A and acetonitrile as mobile phase B, in a gradient elution mode at a 0.5 mL/min flow rate. Mass spectrometric conditions were optimized using electrospray ionization (ESI) in positive mode. Following the International Conference of Harmonization (ICH) guidelines, this methodology is capable of quantifying 2 PGIs at 0.016 ppm in samples at 50 mg/mL concentration. This validated approach presented good linearity over the concentration range of 0.016-0.06 ppm for 2 PGIs. The correlation coefficient of each impurity was observed greater than 0.999. The accuracy of this method was in the range of 83-113% for the aforementioned PGIs. In addition, expert knowledge rules (Derek-based) and statistical (Q) SAR evaluation system (Sarah-based) were used to evaluate and classify the genotoxicity of both valsartan-related PGIs as well as to define their standard limits. The predicted results were positive and classified into the third category, and the total nitrosamine limit was set to 0.03 ppm. As such, this approach represents a good quality control system for the simultaneous and precise quantitation of PGIs in valsartan.

PMID:35158183 | DOI:10.1016/j.jpba.2022.114630