Protein Conformations in the Gas Phase Probed by Mass Spectrometry and Molecular Dynamics Simulations

Mass Spectrometry (MS) has been revolutionized by the ability to produce intact gaseous protein ions by electrospray ionization (ESI). The question to what extent these ions retain solution-like conformations under “native” ESI conditions remains a matter of debate. Traditional high-resolution structure determination techniques only report on proteins in the condensed phase. For this reason, MD simulations play an important role in exploring the behavior of gas phase proteins. In this research, mobile and non-mobile proton MD simulations along with mass spectrometry data at 300 K in both positive and negative ion mode indicated that native-like conformations were largely retained. Surface titratable side chains were found to adopt orientations that were less extended than in crystals and in solution (with the radius of gyration [Rg] values 3-5% lower than for the X-ray coordinates), causing the gaseous protein to be somewhat more compact than in the condensed phase. Calculated collision cross sections of these MD structures were in good agreement with experimental data

Protein Ions Generated by Native Electrospray Ionization: Comparison of Gas Phase, Solution, and Crystal Structures.

Experiments and molecular dynamics (MD) simulations in the literature indicate that gaseous proteins generated by electrospray ionization (ESI) can retain native-like structures. However, the exact properties of these ions remain to be explored. Focusing on ubiquitin and lysozyme, we examined several pertinent questions. (1) We applied solvent MD runs to test whether the X-ray structures of both proteins are affected by crystal packing. Main and side-chain orientations were retained in solution, providing a justification for the hitherto unscrutinized approach of relying on crystal data for solution versus gas-phase comparisons. (2) Most earlier gas-phase protein MD investigations employed short (ns) simulation windows. By extending this time frame to 1 μs, we were able to observe rare unfolding/folding transitions in ubiquitin. These predicted fluctuations were consistent with a semi-unfolded subpopulation detected by ion mobility spectrometry (IMS). (3) Most earlier modeling studies did not account for the high H+ mobility in gaseous proteins. For the first time, we compared static and mobile H+ simulations, focusing on both positively and negatively charged ions. The MD runs revealed a strong preference for retention of a solution-like backbone fold, whereas titratable/polar side chains collapsed onto the protein surface. This side-chain collapse was caused by a multitude of intramolecular salt bridges, H-bonds, and charge-dipole interactions. Our results generalize the findings of Steinberg et al. ( ChemBioChem, 2008, 9, 2417-2423) who had first proposed the occurrence of such side-chain contacts on the basis of short-term simulations with static H+. (4) Calculated collision cross sections of the MD conformers were in close agreement with IMS experiments. Overall, this study supports the view that solution-like protein structures can be retained because of kinetic trapping on the time scale of typical ESI-IMS experiments

Effectiveness of acceptance and commitment group therapy on postpartum depression and psychological flexibility

Background and aims: Postpartum depression (PPD) is a common and disabling psychosocial disorder that it suffers 10% to 15% women during the first year after delivery. PPD is a public health problem with negative consequences for both mother and infant. Thus, the aim of this study was to investigate the effectiveness of acceptance and commitment group therapy on postpartum depression and its effect on psychological flexibility. Methods: The current study was a clinical trial on 32 women who refereed to Gynecology Clinic in Isfahan, Iran. Participants were randomly divided in two groups of experiment and control, 16 women in each group. The instruments of research included Beck depression inventory, Edinburgh postpartum depression inventory and Acceptance and Action questionnaires. These were completed by both groups in three stages: Pre-test, post-test and the follow up stage after a 2- month intervention. Interventions were conducted in 8 sessions, 2 hours in a week. Data were analyzed using analysis of variance with repeated measures. Results: The results showed that Acceptance and commitment therapy, was significantly reduced the rate of depression and increased the psychological flexibility, compared with the control group (P=0.001). Conclusion: According to the results, use of this therapy approach is recommended by clinical psychology specialists to women with PPD

Predicting emotional divorce based on metacognitive beliefs and psychological flexibility

Introduction: This study aimed to predict emotional divorce based on metacognitive beliefs and psychological flexibility. Materials and Methods: The type of study was cross-sectional. The target population was the total married individuals in Tehran. Using cluster random sampling 467 married people (282 women, 185 man) were chosen to complete the Gottman emotional divorce scale, Meta Cognition Questionnaire (MCQ-30), acceptance and commitment inventory and demographic information sheet. Results: findings showed that metacognitive beliefs and psychological flexibility had a significant relationship (p <0.01) with emotional divorce. These variables accounted for 24% of variance in emotional divorce. Negative metacognitions had a positive significant relationship with emotional divorce. In other words, by incremental level of negative metacognitions the rate of emotional divorce will increase. Also, positive metacognitions and psychological flexibility had a negative significant relationship with emotional divorce. Results showed that by increasing in level of psychological flexibility and applying Positive metacognitions instead of negative metacognitions the rate of emotional divorce will diminish. Conclusion: The current study support empirical evidence that a significant relationship does exist between aforementioned constructs. Given the implications of this research, by modifying of metacognitive beliefs and increasing psychological flexibility, the marital relationship can be improved. Thereby diminishing emotional divorce in couples.   &nbsp

Frequency of craniofacial pain in patients with ischemic heart disease

Referred craniofacial pain of cardiac origin might be the only symptom of ischemic heart accidents. This study aimed to determine the frequency of craniofacial pain in patients with ischemic heart disease. This cross-sectional study was accomplished on 296 patients who met the criteria of having ischemic heart disease. Data regarding demographics, medical history and referred craniofacial pain were recorded in data forms. In addition, patients underwent oral examination to preclude any source of dental origin. Chi-square test, Student’s t-test and backward regression model were used to analyze the data by means of SPSS software version 21. P<0.05 was considered significant. A total of 296 patients were studied comprising of 211 men (71%) and 85 women (29%) with the mean age of 55.8. Craniofacial pain was experienced by 53 patients out of 296, 35 (66%) of whom were male and 18 (34%) were female. None of the patients experienced craniofacial pain solely. The most common sites of craniofacial pain were occipital and posterior neck (52.8%), head (43.3%), throat and anterior neck (41.5%) respectively. We found no relationship between craniofacial pain of cardiac origin with age, diabetes, hypertension, and family history. On the other hand, there was a significant relationship between hyperlipidemia and smoking with craniofacial pain of cardiac origin. Radiating pain to face and head can be expected quite commonly during a cardiac ischemic event. Dental practitioners should be thoroughly aware of this symptomatology to prevent misdirected dental treatment and delay of medical care

The effect of amniotic membrane on growth, proliferation, and survival of the myeloma cells and examination of genes related to proliferation (BCL2), implantation (CXCR4), and cell cycle stop (P21 and P27)

BACKGROUND: The myeloma cell is not able to grow and proliferate out of bone marrow (BM) media, and in laboratory conditions its survival is low. We considered to use an environment that has the same conditions as body physiological conditions. In this study, the effect of the amniotic membrane (AM) on the growth and proliferation of myeloma cells were evaluated.METHODS: This study was performed on plasma cells derived from BM aspiration (primary cells) in 3 patients with multiple myeloma (MM). Plasma cells of these patients were isolated by magnetic-activated cell sorting (MACS) technique and cultured in different environments of AM for two consecutive weeks, and then were examined by qualitative polymerase chain reaction (PCR) technique for expression of genes related to proliferation [B-cell lymphoma 2 (BCL2)], implantation [chemokine receptor type 4 (CXCR4)], and cell cycle stop (P21, P27).RESULTS: Isolated plasma cells were cultured in 3 different groups for 2 weeks. The most cell proliferation was observed in the medium containing Roswell Park Memorial Institute (RPMI) medium from amniotic cultures and plasma cells [an environment without fetal bovine serum (FBS)]. All genes were expressed on day zero (on the day of isolation). On the day 4, proliferation genes (BCL2) and implantation genes (CXCR4) had an expression in the control group without FBS medium, but P21 and P27 genes had no expression.CONCLUSION: The best environment for the growth and maintenance of plasma cells in vitro is the use of RPMI from the AM (without FBS) in which plasma cells can be kept alive for 10 days

Factors Affecting Maternal Role Adaptation in Mothers of Preterm Infants Hospitalized in the Intensive Care Unit: A Qualitative Study

Introduction: Becoming a mother in the neonatal intensive care unit is very different from becoming a mother of a full term infant in normal conditions. This study was conducted to explore factors affecting maternal role adaptation in mothers of preterm infants hospitalized in neonatal intensive care unit (NICU). Method: This study was a qualitative research. Participants were mothers of preterm infants hospitalized in neonatal intensive care unit of social security hospitals and hospitals affiliated to Kermanshah University of Medical Sciences located in Kermanshah City, Iran. Sampling method was purposive and data collection was through individual and semi-structured interviews. Data saturation was achieved after 17 interviews with mothers of preterm infants (under 36 weeks) who had history of hospitalization for at least one week in the NICU. Data was analyzed through conventional content analysis. In order to verify the trustworthiness of research data, credibility, transferability, conformability, and dependability were assessed. Results: Two main categories were explored in this study; individual factors which included three subcategories of emotional chaos, self-efficacy, and alienation; and social factors which included three subcategories of interaction, social support, and other’s judgment. Conclusion: By providing different kinds of supports, prevention of other’s judgment, and promote mothers' self-efficacy can empower mothers against problems and negative emotions and promote maternal role adaptation. Keywords: Qualitative research, Neonatal intensive care unit, Physiological adaptation, Preterm infan

Mothers’ Perception of Quality of Services from Health Centers after Perinatal Loss

Abstract Introduction: Perinatal loss is one of the most stressful life events that parents and caregivers experience. Providing an empathetic, caring environment to support mothers who experience perinatal loss is necessary. The aim of this study was to assess mothers’ perception of the quality of services received from health centers after perinatal loss. Methods: This study was conducted in 2014-2015 using qualitative content analysis. Participants in the study were 40 women with a history of miscarriage, stillbirth, or neonatal death who live in Tehran and Shahrekord, Iran. Data were collected from the participants through semi-structured, in-depth interviews, and they were analyzed using qualitative content analysis. Results: One theme and six main categories were developed, and they indicated the mothers’ experiences and understandings of the quality of service received after perinatal loss. The major theme was ‘dissatisfaction with the quality of care received.’ The main categories included: 1) effective communication, 2) expecting responsiveness, 3) expecting to respect the patient’s dignity, 4) expecting better care, 5) tension of medical expenses, and 6) insufficient facilities. Conclusion: The findings of this study highlighted the weaknesses, inadequacies, strengths, and opportunities in providing health services. They can help reproductive health policy-makers reduce the pain and suffering of the affected families with appropriate measure

Bounded Linear Stability Analysis - A Time Delay Margin Estimation Approach for Adaptive Control

This paper presents a method for estimating time delay margin for model-reference adaptive control of systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent the conventional model-reference adaptive law by a locally bounded linear approximation within a small time window using the comparison lemma. The locally bounded linear approximation of the combined adaptive system is cast in a form of an input-time-delay differential equation over a small time window. The time delay margin of this system represents a local stability measure and is computed analytically by a matrix measure method, which provides a simple analytical technique for estimating an upper bound of time delay margin. Based on simulation results for a scalar model-reference adaptive control system, both the bounded linear stability method and the matrix measure method are seen to provide a reasonably accurate and yet not too conservative time delay margin estimation

The relationship between Personality Traits, Anxiety and Depression, in Life Quality of patients under treatment by Hemodialysis [HD]

Please cite this article as: Bakhtiari M, Falaknazi K, Lotfi M, Noori M, Naseri Saleh Abad A. The relationship between Personality Traits, Anxiety and Depression, in Life Quality of patients under treatment by Hemodialysis [HD]. Novel Biomed 2013;1:1-7.Background: The purpose of this study is to examine personality traits in renal patients undergoing haemodialysis (HD) and its connection to depression, anxiety, and life quality. In this study we also aim to propose an intervention for treatment and prevention of these personality traits.Methods: This cross-sectional study was performed on 70 patients affected by chronic renal failure undergoing haemodialysis treatment. Patients were selected based on an accessible sample. Required data were gathered through questioners: Hospital Anxiety and Depression, NEO-FFL, and SF-36 Health Survey.Results: Based on the results obtained from this study 47.1% of patients undergoing HD treatment fall into the abnormal category according to the rate of depression. There is a positive meaningful correlation between conscientiousness and agreeableness and a negative correlation between extroversion, anxiety, and depression in life quality of renal patients.Conclusion: With respect to the correlation existing between the quality of life and the personality traits, anxiety and depression, in patients under HD treatment, life quality and treatment outcome can be improved if psychological problems are diagnosed early and psycho education and social interventions are presented