Computational Infrared Spectroscopy: Reproducing Kernel- and Multipolar-Based Force Field Simulations for Site-Selective Dynamics of Proteins

Characterizing the structural and functional dynamics of complex systems in the condensed phase requires fine spatial and/or temporal resolution which is a challenging problem, demanding vibrational probes that confer possible functional and steric variation on local properties. Vibrational time occurs in the femtosecond domain and frequencies are dependent on spatial arrangement and the characteristics of the constituent atoms. Therefore, vibrational spectroscopy has become an essential tool to study the structure and dynamics of various biological systems at the molecular level. However, achieving site-specific information on biological molecules of interest, such as proteins, is impossible in many cases or problematic to rely on the intrinsic vibrational modes. To overcome this limitation, the focus of this work is the development and application of several intrinsic backbone and side chain vibrational probes that can be easily incorporated into proteins and be used to site-specifically investigate their structural or environmental properties using reproducing kernel- and multipolar-based force field simulations

The group psychodrama consultation effect on resiliency and spiritual intelligence of Eight grade female students

This study aimed to evaluate the effectiveness of group counseling Psychodrama on spiritual intelligence and resilience of students. For this purpose, 60 secondary school female students in  Tehran were selected based on multi-stage cluster sampling. Then, the patients were selected randomly as 30 in the experimental group and 30 in the control group. In order to analyze data, ANOVA was used as the statistical method of analysis. The results showed that group Psychodrama counseling is effective for resiliency of students, and it has a significant impact on students' spiritual intelligence

Iranian English Teachers’ Perception over Applying Different Feedbacks in Writing

This study aimed to inspect the written feedback practices as well as the Iranian teachers’ perceptions and attitudes towards written feedback in their writing classes. In fact, it tried to investigate what type of feedback the teachers usually give more and whether their written feedback practices are in agreement with their beliefs or not. To this end, data were collected by means of questionnaires and 30 TOEFL/IELTS writing teachers’ written feedback given to 300 students’ essays in different language institutes of Tehran. Both the quantitative and qualitative analyses in this study showed that although most of these teachers were of the opinion that teachers must give feedback to the language (i.e., spelling, grammar, vocabulary, capitalization, and punctuation), organization (i.e., cohesion, coherence, and unity), and content of students’ essays, most of their written feedbacks were given to the language of their students’ essays. In other words, a discrepancy was found between their perceptions and practices. In addition, most of their written feedbacks were direct while the majority of them believed that teachers must give indirect feedback to their students’ writings. This lack of agreement between what was believed and what actually happened indicates that teachers may not be completely aware of the feedback they give to their students’ writings

Effects of Short-Term Accruals on the Pricing of Audit Services

This study investigates the relationship between short-term accruals and pricing of audit services in the Tehran Stock Exchange during the period 2009-2014 will be discussed. For this study, the 90 companies listed in Tehran Stock Exchange for the period was determined. To test study hypothesis by regression analysis using software integrated in all companies use EViews6 In this study to determine the audit fees were used for short-term accruals. The dependent variable pricing study audit services to assess which of the four criteria, audit fees, the natural logarithm effort, the natural logarithm of the investment cost of the audit, the natural logarithm was used to increase the selling price. Also in this study, the control variables of the current debt ratio of short-term investments, financial debt ratio, return on assets, long-term financial leverage, the rate of depreciation expense, size, and variable operating loss was ambivalent. The findings suggest that short-term accruals and effort spent on the remuneration of the auditors' audit and the audit contract gross profit and significant positive impact, but the impact on the auditor's fee when the investment is negative and significant. In this study, the control variables depreciation expense spent on trying the resort's auditors have a positive impact and meaning. Keywords: short-term accruals, pricing of audit services, audit fees, effort, and money invested time auditor

Site-Selective Dynamics of Ligand-Free and Ligand-Bound Azidolysozyme

Azido-modified alanine residues (AlaN3) are environment-sensitive, minimally invasive infrared probes for the site-specific investigation of protein structure and dynamics. Here, the capability of the label is investigated to query whether or not a ligand is bound to the active site of lysozyme and how the spectroscopy and dynamics change upon ligand binding. The results demonstrate specific differences for center frequencies of the asymmetric azide stretch vibration, the longtime decay, and the static offset of the frequency fluctuation correlation function (FFCF)—all of which are experimental observables—between the ligand-free and the ligand-bound N3-labeled protein. The center-frequency shifts range from 1 to 8 cm−1, which is detectable from state-of-the art experiments. Similarly, the nonvanishing static component Δ0 of the FFCF between ligand-free and ligand-bound protein can differ by up to a factor of 2.5. This makes the azide label a versatile and structurally sensitive probe to report on the dynamics of proteins in a variety of environments and for a range of different applications. Ligand-induced differences in the dynamics are also mapped onto changes in the local and through-space coupling between residues by virtue of dynamical cross correlation maps. This demonstrates that the position where the label is placed also influences the local and global protein motions

Site-Selective Dynamics of Azidolysozyme

The spectroscopic response of and structural dynamics around all azido-modified alanine residues (AlaN$_3$) in Lysozyme is characterized. It is found that AlaN$_3$ is a positionally sensitive probe for the local dynamics, covering a frequency range of $\sim 15$ cm$^{-1}$ for the center frequency of the line shape. This is consistent with findings from selective replacements of amino acids in PDZ2 which reported a frequency span of $\sim 10$ cm$^{-1}$ for replacements of Val, Ala, or Glu by azidohomoalanine (AHA). For the frequency fluctuation correlation functions (FFCFs) the long-time decay constants $\tau_2$ range from $\sim 1$ to $\sim 10$ ps which compares with experimentally measured correlation times of 3 ps. Attaching azide to alanine residues can yield dynamics that decays to zero on the few ps time scale (i.e. static component $\Delta_0 \sim 0$ ps$^{-1}$) or to a remaining, static contribution of $\sim 0.5$ ps$^{-1}$ (corresponding to 2.5 cm$^{-1}$), depending on the local environment on the 10 ps time scale. The magnitude of the static component correlates qualitatively with the degree of hydration of the spectroscopic probe. Although attaching azide to alanine residues is found to be structurally minimally invasive with respect to the overall protein structure, analysis of the local hydrophobicity indicates that the hydration around the modification site differs for modified and unmodified alanine residues, respectively.Comment: for MS: 33 page, 10 figures for SI: 6 pages, 9 figure

Effects of short-term accruals on the pricing of audit services

This study investigates the relationship between short-term accruals and pricing of audit services in the Tehran Stock Exchange during the period 2009-2014 will be discussed. For this study, the 90 companies listed in Tehran Stock Exchange for the period was determined. To test study hypothesis by regression analysis using software integrated in all companies use EViews6 In this study to determine the audit fees were used for short-term accruals. The dependent variable pricing study audit services to assess which of the four criteria, audit fees, the natural logarithm effort, the natural logarithm of the investment cost of the audit, the natural logarithm was used to increase the selling price. Also in this study, the control variables of the current debt ratio of short-term investments, financial debt ratio, return on assets, long-term financial leverage, the rate of depreciation expense, size, and variable operating loss was ambivalent. The findings suggest that short-term accruals and effort spent on the remuneration of the auditors' audit and the audit contract gross profit and significant positive impact, but the impact on the auditor's fee when the investment is negative and significant. In this study, the control variables depreciation expense spent on trying the resort's auditors have a positive impact and meaning. Keywords: short-term accruals, pricing of audit services, audit fees, effort, and money invested time auditor

Cross Correlated Motions in Azidolysozyme

The changes in the local and global dynamics of azide-labelled lysozyme compared with that of the wild type protein are quantitatively assessed for all alanine residues along the polypeptide chain. Although attaching -N3 to alanine residues has been considered to be a minimally invasive change in the protein it is found that depending on the location of the alanine residue, the local and global changes in the dynamics differ. For Ala92, the change in the cross-correlated motions are minimal, whereas attaching -N3 to Ala90 leads to pronounced differences in the local and global correlations as quantified by the cross-correlation coefficients of the Cα atoms. We also demonstrate that the spectral region of the asymmetric azide stretch distinguishes between alanine attachment sites, whereas changes in the low frequency, far-infrared region are less characteristic

The effect of selective rhythmic movements on, hand- foot coordination in girl children with developmental coordination disorder

زمینه و هدف: اختلال هماهنگی رشدی وقتی رخ می دهد که در رشد مهارت های حرکتی تاخیر بیافتد یا در انجام حرکات هماهنگ مشکلاتی بروز کند که نتیجه آن عدم توانایی انجام وظایف روزمره است. این مطالعه با هدف بررسی اثر یک دوره حرکت های منتخب ریتمیک بر هماهنگی دست و پای کودکان دارای اختلال هماهنگی رشدی انجام شد. روش بررسی: در این تحقیق نیمه تجریی ابتدا توسط غربالگری از طریق پرسشنامه رشدی ویلسون و سیاهه مشاهده حرکتی آموزگاران از بین 475 دانش آموز دختر دبستانی (6 تا 11 ساله) شهرکرد تعداد 30 کودک دارای ناهنجاری هماهنگی رشدی انتخاب شدند. از این گروه پیش‌ـ آزمون توسط مقیاس رشد حرکتی لینکن‌ـ اوزرتسکی (آیتم‌های مربوط به هماهنگی دست و پا) اخذ شد و سپس با تقسیم تصادفی، در دو گروه تجربی و کنترل قرار گرفتند. گروه تجربی در یک دوره برنامه‌ی منتخب حرکات ریتمیک به مدت 8 هفته (سه جلسه در هفته، هر جلسه 45 دقیقه) شرکت کردند، در انتها مجدداً آیتم‌های مربوط به هماهنگی دست – پا مقیاس رشد حرکتی لینکن‌ـ اوزرتسکی از هر دو گروه اخذ شد. داده ها با استفاده از آزمون آماری تی مستقل تجزیه و تحلیل شد. یافته‌ها: نتایج نشان داد که در پیش آزمون میانگین هماهنگی دست و پای (گروه تجربی و کنترل) تفاوت معنادار وجود ندارد، اما در پس آزمون میانگین هماهنگی دست و پا در گروه تجربی بیشتر از گروه کنترل بود (01/0