Characterizing protein protonation microstates using Monte Carlo sampling

Proteins are polyelectrolytes with acidic or basic amino acids making up ≈25% of the residues. The protonation state of all Asp, Glu, Arg, Lys, His and other protonatable residues, cofactors and ligands define each protonation microstate. As all of these residues will not be fully ionized or neutral, proteins exist in a mixture of microstates. The microstate distribution changes with pH. As the protein environment modifies the proton affinity of each site the distribution may also change in different reaction intermediates or as ligands are bound. Particular protonation microstates may be required for function, while others exist simply because there are many states with similar energy. Here, the protonation microstates generated in Monte Carlo sampling in MCCE are characterized in HEW lysozyme as a function of pH and bacterial photosynthetic reaction centers (RCs) in different reaction intermediates. The lowest energy and highest probability microstates are compared. The ∆G, ∆H and ∆S between the four protonation states of Glu35 and Asp52 in lysozyme are shown to be calculated with reasonable precision. A weighted Pearson correlation analysis identifies coupling between residue protonation states in RCs and how they change when the quinone in the QB site is reduced.

Integrative Analysis of the Transcriptome and Metabolome Reveals the Mechanism of Saline–Alkali Stress Tolerance in Astragalus membranaceus (Fisch) Bge. var. mongholicus (Bge.) Hsiao

Saline–alkali stress is a major abiotic stress affecting the quality and yield of crops. Astragalus membranaceus (Fisch) Bge. var. mongholicus (Bge.) Hsiao (A. mongholicus) is a well-known medicine food homology species with various pharmacological effects and health benefits that can grow well in saline–alkali soil. However, the molecular mechanisms underlying the adaptation of A. mongholicus plants to saline–alkali stress have not yet been clarified. Here, A. mongholicus plants were exposed to long-term saline–alkali stress (200 mmol·L -1 mixed saline–alkali solution), which limited the growth of A. mongholicus. The roots of A. mongholicus could resist long-term saline–alkali stress by increasing the activity of antioxidant enzymes and the content of osmolytes. Transcriptome analysis (via the Illumina platform) and metabolome analysis (via the Nexera UPLC Series QE Liquid Mass Coupling System) revealed that saline–alkali stress altered the activity of various metabolic pathways (e.g., amino acid metabolism, carbohydrate metabolism, lipid metabolism, and biosynthesis of other secondary metabolites). A total of 3,690 differentially expressed genes (DEGs) and 997 differentially accumulated metabolites (DAMs) were identified in A. mongholicus roots under saline–alkali stress, and flavonoid-related DEGs and DAMs were significantly up-regulated. Pearson correlation analysis revealed significant correlations between DEGs and DAMs related to flavonoid metabolism. MYB transcription factors might also contribute to the regulation of flavonoid biosynthesis. Overall, the results indicate that A. mongholicus plants adapt to saline–alkali stress by up-regulating the biosynthesis of flavonoids, which enhances the medicinal value of A. mongholicus.

The Influence of the Service Quality of Eyelash Beauty Treatment and Perceived Value on Behavior Intention

In this study, a questionnaire survey was conducted with women aged 20 to 50, in order to find how the service quality of eyelash beauty treatment and perceived value influence their behavior intention. For data analysis, SPSS23.0 and JAMOVI 1.6.16 program were used. For reliability verification, Cronbach’s α value was analyzed, and Pearson correlation analysis and hierarchical regression analysis were conducted. Firstly, according to the analysis on the influence of service quality on perceived value, assurance and empathy as the factors of service quality positively and significantly influenced perceived value. Secondly, according to the analysis on the influence of service quality and perceived value on behavior intention, assurance positively and significantly influenced behavior intention; responsiveness negatively and significantly influenced behavior intention. Therefore, The more assurance in perceived value and service quality, and the lower responsiveness in service quality, the more behavior intention.

The Evaluation of Temporal and Spatial Trends of Global Warming and Extreme Ocean Surface Temperatures: A Case Study of Canada

In recent years, extreme weather has frequently occurred worldwide and caused significant disasters, including large-scale forest fires, rare heat waves, heavy rains, floods, and tornadoes. Those have caused unprecedented losses of human lives and property in some countries, affecting the livelihoods of many people. Climate change and natural disasters are the two hotspots of scientific research today, and there is a certain degree of correlation between the two. Although countries worldwide have long known about climate change and its threats to human existence and have been discussing countermeasures, they have still not been able to carry out concerted and practical actions. The study takes Canada as an example, and selects six representative provinces to evaluate the temporal change characteristics of extreme temperature at different sites. We use MATLAB software to perform multiple linear regression, linear fitting methods, and Pearson correlation analysis to analyze spatial changes and time-space trends. The method studies the relationship between the emergence of extreme weather and climate change and uses the evolutionary game theory to explore whether there is any contradiction between global warming and extreme local cold. The study found: (i) The maximum temperature of most provinces in Canada will be constantly higher, and the minimum temperature will be lower. Generally speaking, the average temperature of each year is slowly decreasing. (ii) The average temperature data of British Columbia (Eastern Pacific) and Quebec (West Atlantic) show that ocean temperature has a specific effect on land temperature in surrounding areas. (iii) Pearson correlation analysis shows that the emergence of extreme weather is closely related to climate change. (iv) The evolution path of the two-party game shows that global warming and the occurrence of extreme local cold are not contradictory. Under the conditions, there is a certain degree of synchronization between the two, interacting and influencing each other.

An Investigation into the Self-Handicapping Behaviors in Terms of Academic Procrastination

Academic procrastination in completing tasks often occurs in students. If left unchecked, it will affect emotional instability, attitudes, and daily behavior. One of the reasons behind it is the threat of self-esteem and self-image. Among the individual attitudes of emotional evasion and threatening self-esteem and self-image is self-handicapping. This study aims to determine the relationship between self-handicapping and academic procrastination in UIN Imam Bonjol Padang students. The research instrument used a self-handicapping scale and an academic procrastination scale. Data were analyzed using the Pearson correlation analysis technique. The results showed a significant number of 0.234 (p0.05), meaning no relationship between self-handicapping and academic procrastination in UIN Imam Bonjol Padang students.

Electroencephalogram-derived pain index for evaluating pain during labor

Background The discriminative ability of a point-of-care electroencephalogram (EEG)-derived pain index (Pi) for objectively assessing pain has been validated in chronic pain patients. The current study aimed to determine its feasibility in assessing labor pain in an obstetric setting. Methods Parturients were enrolled from the delivery room at the department of obstetrics in a tertiary hospital between February and June of 2018. Pi values and relevant numerical rating scale (NRS) scores were collected at different stages of labor in the presence or absence of epidural analgesia. The correlation between Pi values and NRS scores was analyzed using the Pearson correlation analysis. The receiver operating characteristic (ROC) curve was plotted to estimate the discriminative capability of Pi to detect labor pain in parturients. Results Eighty paturients were eligible for inclusion. The Pearson correlation analysis exhibited a positive correlation between Pi values and NRS scores in parturients (r = 0.768, P < 0.001). The ROC analysis revealed a cut-off Pi value of 18.37 to discriminate between mild and moderate-to-severe labor pain in parturients. Further analysis indicated that Pi values had the best diagnostic accuracy reflected by the highest area under the curve (AUC) of 0.857, with a sensitivity and specificity of 0.767 and 0.833, respectively, and a Youden index of 0.6. Subgroup analyses further substantiated the correlations between Pi values and NRS scores, especially in parturients with higher pain intensity. Conclusion This study indicates that Pi values derived from EEGs significantly correlate with the NRS scores, and can serve as a way to quantitatively and objectively evaluate labor pain in parturients.

The Influence of Single-Clause Sentences on IELTS Writing Task 2 Band Score

This research aims to investigate the frequencies of single-clause sentences (SS) and multi-clause sentences (MS) used by IELTS test-takers in writing task 2 and the relationship between their use of single-clause sentences and band score in this section. The researcher used the descriptive comparative research design and the quantitative method design with convenient sampling with fifty (50) sample essays mainly sourced from the set of Cambridge English IELTS Academic books. After collecting the data, the researchers analyzed the data using statistical and descriptive analysis. The result shows that the percentages of single-clause and multi-clause sentences in the range between 0 and 6.0 bands are relatively equal. On the other hand, these percentages in the range of 6.5-9.0 have a significant difference. Additionally, the results of Pearson Correlation Analysis show that the frequency of single-clause sentences has an insignificant negative relationship with the IELTS writing task 2 band score. Therefore, IELTS writing task 2 compositions with more single-clause sentences are potentially graded with a lower band score.

Analysis of Radiation Intensity and Sunshine Duration in the Karst Area of Maros TN Bantimurung Bulusaraung South Sulawesi During Solstice Phenomenon

This study aims were to analyze the profile of radiation intensity and sunshine duration in the karst area of Maros TN Bantimurung Bulusaraung, South Sulawesi during solstice phenomenon in the period 2011-2020. In addition, radiation intensity and sunshine duration in the same area were also measured. A Pearson correlation shows that the intensity of solar radiation and the sunshine duration have a bimodal pattern. The average radiation intensity during the 2011-2020 solstices in June and December was 1.193 and 1.249 , respectively. Whereas the percentage of sunshine duration in June and December reached 54% and 35%, respectively. The results of the Pearson correlation analysis of the relationship between radiation intensity and sunshine duration in June were 0.722, while in December, it was 0.717. The interpretation results show that the two parameters have a strong correlation and have a close relationship

Serum Galectin-3 as a Potential Predictive Biomarker Is Associated with Poststroke Cognitive Impairment

Objective. Galectin-3, an inflammatory mediator derived from microglia, participates in the pathophysiological process of various neurological diseases. However, the relationship between galectin-3 and poststroke cognitive impairment (PSCI) remains ambiguous. This research purposed to prove whether serum galectin-3 can predict PSCI. Methods. In the end, an aggregate of 416 patients with the first acute ischemic stroke (AIS) were continuously and prospectively enrolled in the study. Upon admission, the baseline data of AIS patients were collected, and their serum galectin-3 levels were measured. Three months after the stroke, the Montreal Cognitive Scale (MoCA) was utilized to measure the cognitive function of AIS patients, and PSCI was defined as a MoCA score less than 26 points. Results. Premised on the MoCA scores, patients were categorized into PSCI cohort and non-PSCI cohort. The two AIS patient cohorts did not exhibit any statistical difference in their baseline characteristics ( p > 0.05 ). However, the serum galectin-3 level of AIS patients in the PSCI cohort was considerably elevated ( p < 0.001 ). Pearson correlation analysis illustrated that serum galectin-3 level was negatively linked to MoCA score ( r = − 0.396 , p < 0.05 ). The findings from the receiver-operating curve (ROC) illustrated that the sensitivity of serum galectin-3 as a possible biomarker for diagnosing PSCI was 66%, and the specificity was 94%. The cut-off value of serum galectin-3 to diagnose PSCI is 6.3 ng/mL ( OR = 5.49 , p < 0.001 ). Upon controlling for different variables, serum galectin-3 level remained to be an independent predictor of PSCI ( p < 0.001 ). Conclusions. Elevated serum galectin-3 levels are linked to a higher risk of PSCI. Serum galectin-3 could be a prospective biomarker for predicting PSCI.

Tahap Kemahiran dan Sikap Guru Terhadap Penggunaan Multimedia dalam Pengajaran dan Pembelajaran al-Quran Murid Autisme

This study was conducted to identify the teacher skill level and attitude towards the use of multimedia in the teaching and learning of the Holy Koran for Autism students. This study was conducted using a set of questionnaires that were completed by 40 teachers who teach in the Integrated Special Education Program (PPKI) class selected by random. These quantitative data from the questionnaire were analyzed descriptively through SPSS software, version 22 to obtain the frequency, percentage, mean and standard deviation. Pearson correlation analysis was used to determine the relationship between skill level and teacher attitude towards using multimedia in the teaching and learning of the Holy Koran for Autism students. The results of the analysis of the study found that the teacher skill level (M=3.63, SD.=0.82) and teacher attitude (M=3.80, SD.=0.71) were at a moderate and high level. Meanwhile, this study also shows that there is a significant relationship between skill level and teacher attitude. Indeed, the teacher skill level and attitude towards using multimedia in teaching is positive but has weaknesses in terms of the application of multimedia items. Thus, while conducting the teaching process, a teacher must take into account the skill level to be applied and the readiness of the teacher attitude to build a multimedia-based teaching process to be more effective. AbstrakKajian ini dijalankan bagi mengenal pasti tahap kemahiran dan sikap guru terhadap penggunaan multimedia dalam pengajaran dan pembelajaran al-Quran untuk murid Autisme. Kajian ini dilakukan menggunakan set soal selidik yang telah dilengkapkan oleh 40 orang guru yang mengajar di kelas Program Pendidikan Khas Integrasi (PPKI) yang dipilih secara rawak. Data kuantitatif daripada soal selidik ini dianalisis secara deskriptif menggunakan SPSS versi 22 bagi mendapatkan kekerapan (frekuensi), peratusan, min dan sisihan piawai. Analisis korelasi Pearson digunakan untuk menentukan hubungan antara tahap kemahiran dengan sikap guru menggunakan multimedia dalam pengajaran dan pembelajaran al-Quran murid Autisme. Hasil analisis kajian mendapati, tahap kemahiran guru (M=3.63, SP.=0.82) dan sikap guru (M=3.80, SP.=0.71) berada pada aras sederhana tinggi. Sementara itu, kajian ini juga menunjukkan wujud hubungan yang signifikan antara tahap kemahiran dengan sikap guru. Sememangnya tahap kemahiran dan sikap guru ke arah menggunakan multimedia dalam pengajaran adalah positif tetapi mempunyai kelemahan dari aspek pengaplikasian item-item multimedia. Justeru, semasa menjalankan proses pengajaran, seseorang guru mesti mengambil kira mengenai tahap kemahiran untuk diaplikasikan dan kebersediaan sikap guru untuk membina proses pengajaran berasaskan multimedia agar menjadi lebih efektif.