bluuebunny/crossref_metadata_2025 huggingface dataset:
Rape Myths in Rapists and Other Offenders
Authors: Justina W. Aranha Fernandes  , Dr. Nandini  Sanyal  , Brahmini Goud  , Prof. Saroj Arya
Published: May 2021

Rape is a commonly occurring International phenomenon which has no cultural boundaries. Rape is a pervasive crime (Grubb, 2008; Harrower, 2009) and is significant due to its huge social and personal cost to the victims, their families and eventually society as a whole (Polaschek, Ward & Hudson, 1997). Rape in India has been described as one of India’s most common crimes against women. The objective of this study was to determine whether there is a significant difference between rapists and other-offenders with respect to rape myths and its 7 dimensions (viz., ‘she asked for it’,  ‘it wasn’t really rape’, ‘he didn’t mean to’, ‘she wanted it’, ‘she lied’, ‘rape is a trivial event’ and ‘rape is a deviant event’). A non-probability purposive sampling method was employed to select a sample of 60 male prisoners who were convicted and sentenced. Among them, 30 were rapists and 30 were other-offenders. The Illinois Rape Myth Acceptance Scale (IRMA) (Payne, Lonsway & Fitzgerald, 1999) was used to measure the rape myths prevalent among rapists and other-offenders. The results revealed that there is a significant difference between rapists and other-offender with respect to rape myths and its 7 dimensions. Studies such as this draw attention to how we as a society responsible for introducing such appalling levels of violence against women, which is being endured, tolerated and even regularised. More laws or pleas for death sentences are not the answer to this deep-rooted societal problem. What is required today is not more protection and security, but education about rape and the motive behind such a monstrous crime and its implications.
Personality Profile of Trait Consciousness of Male and Female Sports Persons
Authors: Poonam Joshi  , Dr. B. K. Bhardwaj
Published: May 2021

The personality of an individual has important implications for the performance of all sorts of activities including sports and games. The Five Factor Model of personality traits have been reported to be reliable predictors of performance in many studies across the globe. The present study aimed to understand the distribution of consciousness personality profile in terms of gender and domicile of the participants in individual and team games. Four hundred male and female sports persons with different scores of trait of consciousness served as the participants in the present study. Their sports achievements in individual and team games were observed. The results of the present study evinced that sportspersons of team games scored higher on consciousness than did the sportspersons playing in individual games. The female participants showed relatively higher mean consciousness score in comparison to their male counterparts. Furthermore, the players having rural affiliations demonstrated higher mean consciousness score as compared to those who belonged to urban background. The main effect of gender on consciousness was also exhibited to have statistical significance along with statistically significant interactions between gender and background, game type and background as well as game type, gender and background. The results have been explained in the light of current theories of personality and sports achievements. The results evinced the role of gender, game types and domicile in shaping the personality trait of consciousness in sports activities the participants. The results of the study have important implications for researchers, academicians, sportspersons, policy makers and administrators. Future directions of research have also been discussed.
Adjustment of Higher Secondary Students of NCR (National Capital Region)
Authors: Dr. Ekta Chauhan
Published: May 2021

Maladjustment in any way leads to lot of social, psychological and behavioural problems. Present research paper is an attempt to find out the difference in the level of adjustment of male and female higher secondary students of NCR region, so that the measures are taken at school level to enhance the levels of adjustment amongst school students enabling them to become better performers at school and to deal with gender biases prevalent in Indian system. For this study a sample of 200 higher secondary students (100 female students and 100 male students from higher secondary classes) was selected with the help of stratified random sampling method from Ghaziabad and Gautam Budh Nagar of Uttar Pradesh, India. For collection of data A.I.S.S(Adjustment Inventory For School Students) by Prof. A.K.P. Sinha and Prof .R.P. Singh (published by National Psychological Corporation, Agra, India) was administered on selected sample. With the help of this study significance of differences with respect to emotional adjustment, social adjustment, educational adjustment and total adjustment between female and male higher secondary students, is analyzed. These differences in adjustment between male and female students were compared with the help of statistical Analysis: mean, standard deviation and t value. Analyses of data revealed that significant differences exist at .05 and .01 levels between male and female higher secondary students only in the area of social adjustment.
Comparing Self-Efficacy of Government and Private High School Female Students
Authors: Chandra Shekhar  , Rajinder Kumar
Published: May 2021

Self-efficacy is individual’s belief that he or she can perform some behavior or task successfully (Baron, 2001). Self-efficacy is hypothesized to affect individuals’ task choices, effort, persistence, and achievement (Bandura, 1997; Schunk, 1989). In our present research we had chosen a sample of 100 high school (10th class) female students; 50 from private schools and 50 from government schools within the age group of 14 to 18 years. Our main objective was to see if there is any statistically significant difference in the self-efficacy of the two groups or not. Mean obtained by government sample is 68.54 and by private sample are 70.84. With the help of t-test we found a significant difference in the mean score of self-efficacy between two samples at 0.05 level of significance as calculated t-ratio is 2.01 and corresponding significance value is 0.47.
Anger, Emotional Expressivity and Psychological Well-Being in Sports Players
Authors: Nandini Sanyal  , Tina  Fernandes  , Nimra Vizarath
Published: May 2021

The objective of the present study is to observe whether there is a difference between boys and girls engaged in Instrumental Aggression Sports and those engaged in Hostile Aggression Sports with respect to anger, emotional expressivity and psychological well-being and to observe whether there is a relationship between these variables. A non-probability purposive sampling method was used to select a sample of 160 sports players, among whom 80 (40 boys and 40 girls) were engaged in instrumental aggression sports and 80 (40 boys and 40 girls) were engaged in hostile aggression sports. The Multidimensional Anger Inventory (Siegel, 1986), Berkeley Expressivity Questionnaire (Gross, & John, 1998) and Psychological Well Being Scale (Ryff& Keyes, 1995) were administered to the participants. The results showed significant gender differences with respect to the dimension of anger arousal (p<0.05). However, no significant differences were found between the sport players engaged in instrumental aggression and those engaged in hostile aggression with respect to anger, emotional expressivity, and psychological well-being. The results also reveal that anger was positively correlated with emotional expressivity and negatively correlated with psychological well-being in both the groups (p<0.05). Additionally, emotional expressivity was negatively correlated with psychological well-being in sports players engaged in instrumental aggression sports and hostile aggression sports (p<0.05). The present study brings to light the toxic effects of anger and how we can learn to process emotions to augment effective functioning and psychological well-being.
Social Support In Relation To Quality Of Life among Caregivers of Drug Addicted People
Authors: Tabeer Ahmad  , Aqueleem Un Nabi  , Mohd Ilyas Khan
Published: May 2021

Taking care of a dependent relative entails different physical, psychological and social changes for caregivers. One of the most affected aspects is the social network and support, due to the lack of opportunities for leisure activities, impossibility to go out to work and changes in family routines. Social support also could act as a moderator when it affects caregiver’s quality of life by altering the direction and/or strength of the relation between the caregiver and his/her quality of life. Thus, social support to caregivers helps them to deal with their quality of life in a positive manner. Quality of life is a person’s perceived assessment of his/her own well-being. This includes emotional, social, and physical aspects of the individual’s life.. The social support scale and WHO quality of life brief questionnaire was administered on care givers of drug addicted people to collect data. T-test and Pearson product moment co-efficient of correlation were used for data analysis. The obtained result revealed significance difference between male and female caregivers of drug addicted people on social support and quality of life and the relationship between social support and quality of life was found significantly positive.
Anger Expression: A Study on Gender Differences
Authors: Suman
Published: May 2021

Anger or wrath is an intense emotional response. It is a normal emotion that involves a strong uncomfortable and emotional response to a perceived provocation. Often it indicates when one’s personal boundaries are violated. Some have a learned tendency to react to anger through retaliation. Anger may be utilized effectively by setting boundaries or escaping from dangerous situations. The present study investigates the gender differences in anger expression. This study investigates that which of the gender express their anger much? For this purpose Spielberger Anger Expression inventory was used. Data was collected from 50 subjects (25 males and 25 females).
Selected Anxiety Variables of Successful and Unsuccessful Male and Female Judo Players of All India Inter-University Level
Authors: Sajjad Ahmad Bhat  , Dhananjoy Shaw
Published: May 2021

The purpose of this study was to compare between male and female inter-university judo players in regard to their selected anxiety variable score at training session, during competition and at the post competition, secondly to compare between the successful and unsuccessful inter-university judo players in regard to their anxiety variable score. The study was conducted on Thirty Judo players (fifteen male and fifteen female).The subject age was ranged from 17 to 21 years. Out of thirty samples, eight male and seven female exhibited successful performances in the All India inter-university Judo competition, held at Punjabi University, Patiala 2006. Data was collected at Indira Ghandi Institute of Physical Education and Sports Sciences (IGIPESS), University of Delhi and during All India Judo championship 2006 held at Punjabi University, Patiala by administrating Illinois Competition Questionnaire (ICQ)/Competitive state Anxiety Inventory-2 (CSAI-2) following standard protocol. Descriptive statistics (Mean and standard deviation) and independent ‘t’ were used to analyze the data. The level of significance was set at 0.05.The finding regarding comparison of anxiety variables in CSAI-2scores of male judo players revealed that total anxiety scores were highest during post-competition stage (Mean =67.50) followed by training session (M = 59.80) and the total anxiety scores were lowest during competition stage (Mean =59.50). Likewise in female judo players, total anxiety were found to be highest at training session (M = 70.99) followed by competition period (M =65.35) and was found lowest after the competition (M =51.32). The findings further revealed that successful judo players had higher self-confidence than unsuccessful judo players (Mean = 84.00), whereas unsuccessful judo players had higher score in cognitive and somatic component of anxiety (Mean =69.33 and 59.86 respectively).

The study concluded that:-

The study concluded that:-
1. During training session the male judo players scored highest in self-confidence component of anxiety followed by cognitive and somatic variable.
2. During training session female judo player’s cognitive aspect dominated followed by self-confidence and somatic variable.
3. During competition, cognitive variable scored highest followed by self-confidence and somatic variable in male judo players.
4. During competition female judo player’s self-confidence scored highest followed by cognitive and somatic component.
5. In regard to post-competition, male judo players scored highest in self-confidence variable of anxiety followed by somatic and cognitive variable.
6. In regard to female judo players, self-confidence scored highest followed by cognitive and somatic variable of anxiety.
7. The study further revealed that successful judo players had higher self-confidence than unsuccessful judo players, whereas unsuccessful judo players had higher score in somatic and cognitive component of anxiety.
Parents Attitude toward Education among Muslim
Authors: Dr. Huma Hilal
Published: May 2021

Education is one of the major instruments of social change and it is the force, which brings changes in the traditional outlook of the people, and it develops insight for judging things in their context. It is assume that more the percentage of educated people more will be the rate of development.  As all we say that Education of a girl is like educating a family while educating a boy is merely educating a person. The importance of female education in a society and its spreading to all section of the life is well appreciated and documented to solve existing and emerging problems of the society. There is ample evidence that children from better educated parents more often go to school and tend to drop out less (UNESCO, 2010). Parents who have reached a certain educational level might want their children to achieve at least that level (Breen & Goldthorpe, 1997). For educational enrolment of girls, education of the mother might be especially important (Emerson & Portela Souza, 2007; Shu, 2004; Kambhampati & Pal, 2001; Fuller, Singer and Keiley, 1995). Mothers who have succeeded in completing a certain level of education have experienced its value and know that it is within the reach of girls to complete that level.

The present research was aimed at assessing attitude of parents toward education among Muslim.  Sample consists of 100; in which 50 male respondents and 50 female respondents were participated in the present research. Parents’ attitude was measured through Questionnaire consisting 23 items which is developed by Patnaik & Samal (2012). The respondents were required to indicate their agreement or disagreement with each of the statements about children’s education in a four-point Likert type scale, where 1 denotes strong disagreement and 4 denotes strong agreement. Mean scores were calculated separately for male and female respondents and high socio economic status and low socio economic status samples. The t test was used to examine the significance of difference between male and female respondents as well as high socio economic status and low socio economic status with regard to their attitude towards children’s education. The findings showed that the overall attitude of the respondents was moderately favourable and positive towards education of their children. This result was discussed in the light of existing findings and with other demographic variable i.e. education of the parents, income of the parents and number of children.
A Study of Political Interest and Democratic Attitude of Prospective Teachers of Chhattisgarh
Authors: Dr. Mukesh Kumar Chandrakar
Published: May 2021

Democracy is based on the faith in dignity and worth of every single individual as a human being….. The object of a democratic education is, therefore, the full, all-around development of every individual’s personality…. i.e. education to innate the student into the many- sided art of living in a community. It is obvious, however that an individual can’t live and develop alone. ….. No education is worth the name which does not inculcate the Qualities, necessary for living graciously, harmoniously and efficiently with one’s fellow men….. (Secondary Education Commission 1952-53). Belief in democracy and democratic attitude is an essential aspect of modern society and developing these attitudes among the future citizens rest on the teachers. So, it is the great responsibility of schools and moreover the teachers and prospective teachers to educate students about political process, political responsibilities and democratic traditions for giving them fully comprehended training about citizenship. In this paper the researchers made an attempt to know that what the prospective teachers themselves think about politics and democracy, and do they follow the democratic principles in their classroom and teaching learning process.
Prevalence and Associated Factors of Depression, Anxiety and Stress among Undergraduate Medical Students
Authors: Challa Venkata Suresh
Published: May 2021

The prevalence of psychological disturbances in medical undergraduate students has been reported from various countries. Very few studies regarding student distress reported from India. Therefore, we conducted this study to determine the presence of depression, anxiety and stress among medical students in MNR Medical College, Sangareddy, Telengana. In this cross-sectional study, we recruited 257 students from MNR Medical College after obtaining written voluntary consent. DASS 42 questionnaire was used to collect information on basic demographic. Scores for each of the respondents were calculated as per the severity- rating index. Data was analysed by SPSS 20.0. DASS scores were slightly higher in males than female, but it was not statistically significant. Depression, anxiety and stress in students has high negative effect in their social and personal lives. So there is a need for urgent attention to the psychological well-being of undergraduate medical students to improve their life style.
Chronic Insomnia & Its Impact amongst Adolescents
Authors: Himani Bhasin
Published: May 2021

Insomnia, or sleeplessness, is an individual’s reported sleeping difficulties. “Insomnia” is derived from the Latin word “Somnus”, the name of the Roman god of sleep, with the incorporation of the prefix “in-” to add contradiction.

Thus, insomnia is most often thought of as both a sign and a symptom that can accompany several sleeps, medical, and psychiatric disorders characterized by a persistent difficulty falling asleep and/or staying asleep or sleep of poor quality. Insomnia is typically followed by functional impairment while awake.
Phubbing: A Technological Invasion Which Connected the World But Disconnected Humans
Authors: Tehseen Nazir  , Dr. Metin Pişkin
Published: May 2021

The use of social networking sites and other mobile applications have been growing intensively. Several researches indicated that it is one of the factors that impact the relationship maintenance between one another. It is highly desirable for all citizens to have a good interpersonal communication to maintain and develop further relationships. Bad communication skills may have harmed the interpersonal relationships. With technology advancing, Smartphone’s play an important part in people’s lives. It’s easy to see people talking, slipping, or even playing on their phones in public places. Certainly, when people are concentrating on the small screens in hands, they won’t care about their plights. So the probability of an accident is higher than before. Some countries even set up the “mobile phone sidewalk” to reduce potential hazards. But that is just palliatives. People needed to find a solution that “describe the annoying situation and further remind people to put their phones down, and get talking to each other again.”In response to this request, a new word “phubbing” was created.
A Comparative Study of Impact of “No Detention Policy” on Different School Boards in West Bengal
Authors: Dr. S Rehan Ahmad  , Dr. Ajay Behera  , Mohammad Un Nisa
Published: May 2021

The “Right to Education Act 2009” accommodates no confinement of any understudy till Class VIII. Be that as it may, there has been much civil argument on this condition, with surmounting weight for renouncement of the No-Detention Policy and Continuous and Comprehensive Learning. In any case, “No confinement” does not signify “no evaluation”. CCE is the assessment technique under NDP, where evaluation is for learning” and not mere passing or failing.

The present study is to assess the effect of No Detention Policy on schools under four major boards in West Bengal named, State Govt. School Board, State Govt. Madrasah Board, CBSE Board and ICSE Board.  To perform the same, three unique sorts of Schedules to be specific as Schedule –T, Schedule –P and Schedule –S have been set up for instructors, Parents and Students respectively to assess the effect of NDP by the relative investigation of these three schedules. After near study it is found that ICSE board is slightest affected and WBMB are exceedingly affected by this policy, rest board is in the middle of these two boards. The order in which the schools are influenced are as following ICSE board, CBSE board, WBSEB   & [In ascending order]
Emotional Intelligence and Psychopathology in Schizophrenia
Authors: Pushpanjali Vishwakarma  , Dr. Anshul Kumar
Published: May 2021

Deficits in social cognition, emotion perception and thinking have been extensively documented in schizophrenia either during the course or even in prodromal phase and are associated with poor psychosocial functioning. The present study aimed to explore the associations among emotional intelligence and positive and negative syndromes in the patients with schizophrenia. A sample of 30 male patients with schizophrenia within age range of 18-45 years was taken. Patients were selected by purposive sampling on the basis of inclusion and exclusion criteria from the inpatient department of a psychiatry Institute. PANSS and MSREIS-R were administered on the patients to assess positive, negative symptoms and general symptoms and different components of emotional intelligence respectively. The results revealed that two components of emotional intelligence (a) ability to manage emotions in others (b) total score of MSREIS-R were significantly associated with negative and general symptoms.
Correlational Study of Life Satisfaction, Caregiving Self-Efficacy and Burden of Caregiving in the Primary Caregivers of Chronic Schizophrenia Patients in Pune
Authors: Ms. Sheetal A Lakhani  , Mrs. Shradha R Sakatkar
Published: May 2021

The prevalence of mental illnesses has been increasing more than ever and the effects are clearly seen in these rising trends. General stress levels of persons are also observing increasing trends accountable in major part to the urbanisation due to rise in competition and other issues. In such urbanised setups, lack of primary care facilities for severe psychiatric patients has lead to additional levels of stress in the relatives who are caregivers of such patients and are leading normally stressful lives. These caregivers are also not aware of the techniques to be used in dealing with patients and this can be an issue especially if patients have aggressive symptoms. Thus, the emotional well-being of the family, especially the primary caregivers, is affected on a large extent.

The aim of the study was to determine the correlation between level of life satisfaction, burden of care and caregiving self-efficacy in the caregivers of schizophrenia patients. Data was collected from 35 primary family caregivers belonging to the middle class of outpatients with chronic (duration of one or more year) schizophrenia in particular private clinics and hospitals of Pune. Zarit’s Burden Interview, Revised Scale for Caregiving Self-efficacy (by Steffen et al.) and Life Satisfaction Scale (by Alam & Srivastava) were used to collect the relevant information. The impact of socio-demographic variables such as duration of illness and employment status of caregiver was also considered. Correlational analysis was used to analyse the data. It was hypothesised that caregiving self-efficacy will be positively correlated with life satisfaction and that burden of care will be negatively correlated with general life satisfaction and finally, that caregiving self-efficacy will be negatively correlated with burden of care. Impactful psychosocial awareness and training programmes can be developed to increase the levels of life satisfaction of the caregivers based on the obtained results.
Effect of Prayer Along With Meditation V/S Meditation on Emotional Intelligence and Psychological Well-Being: A Comparative Study
Authors: Himani Anand  , Ira Das
Published: May 2021

A comparative study was made to see the effect of Prayer along with meditation and the effect of Meditation (verbal chanting of ‘OM’) on Emotional Intelligence and Psychological Well-being of 130 female university students in the age range of 18 to 24 years. The sample of the study consisted of 65 students in Group I (Prayer along with Meditation) and 65 students in Group II (Only Meditation). The daily practice time of intervention was 30 minutes in Group I (15 min. for Prayer and 15-20 min. for Meditation) and 15-20 minutes in Group II for 30 days. Pre- Post data was recorded before and after intervention in both groups. A significant difference was found between the pre and post scores of emotional intelligence (Z =6.34, p < .01 in Group I and Z= 4.50, p <.01 in Group II). A significant difference was also found between the pre and post scores of psychological well-being, (Z =4.43, p < .01 in Group I). In Group II, Z value for psychological wellbeing was found to be 1.94 that is not significant even at .05 level. So, there is a significant positive effect of prayer along with meditation on emotional intelligence and psychological well-being. It was also found that there is a significant positive effect of meditation on emotional intelligence but no significant effect was found on psychological wellbeing.
A Study of Psychiatric Morbidity in Patients Attending the Medical Gastro Enterology Unit in a Teaching Hospital
Authors: Arifuddin Ahmed  , Rajini Tenali  , Faheemuddin Naveed  , Ramakrishna Podaralla
Published: May 2021

The World Health Organization defines health a state of complete physical, mental and social wellbeing and not merely the absence of disease or infirmity. This includes the capability to be productive both socially and economically. The functional gastrointestinal disorders (FGIDs) are a heterogenous group of chronic conditions that are considered to have no structural or biochemical abnormalities that account for the symptoms. They are supposed to originate from malfunction of the gut with respect to the nervous mis perception. In these cases, anxiety and or depression could be present mainly in the ‘state’ and or ‘current’ form, reactive to the symptoms. Aim: Descriptive study to assess the socio demographic profile of patients with gastrointestinal disorders. To study the psychiatric morbidity in gastrointestinal disorder patients attending gastrointestinal clinics. Objectives: To study the relationships between factors attributable to gastrointestinal disorders and psychiatric morbidity. To study the effectiveness of GHQ as a screening instrument for psychiatric morbidity in gastrointestinal patients. Sample: 52 patients with gastrointestinal problems of all kinds who attended OPD with age group of 15-65 years. Methods: General Health Questionnaire (GHQ) standardized tool was used. Results: Married patients had higher GAD and MDD compared to unmarried patients. Unemployed and retired people had higher rates of GAD and MDD compared to employ. Students with GI disease had no psychiatric morbidity. All subscales of GHQ showed correlation significantly.
Parkinsonism reversed from treatment of pineal non-germinomatous germ cell tumor
Authors: Cole Sydni M. , Sarangi Sasmit , Einstein David , McMasters Malgorzata , Alterman Ron , Bruce Jeffrey , Hertan Lauren , Shih Helen A. , Wong Eric T.
Published: May 2021

Background:

Parkinsonism is a rare complication of non-germinomatous germ cell tumors (NGGCTs) arising from the pineal region.

Case Description:

We describe a 23-year-old man who presented with Parinaud syndrome, fatigue, and hypersomnia that were caused by a pineal region NGGCT with yolk sac component and an initial α-fetoprotein (AFP) of 1011.0 ng/ml. MRI revealed that the tumor was causing 10 mm of midline shift and compressing the cerebral aqueduct, the left thalamus, and the midbrain. Obstructive hydrocephalus was relieved by ventriculoperitoneal shunting. Six cycles of induction chemotherapy with ifosfamide, carboplatin, and etoposide reduced tumor size and decreased AFP levels in both serum and cerebrospinal fluid. Following the first cycle, the patient developed asymmetric, bilateral Parkinsonism consisting of bradykinesia, bradyphrenia, facial hypomimia, drooling, and dysphagia. Levodopa, amantadine, and methylphenidate were administered and resulted in symptom improvement. Second look neurosurgery revealed residual yolk sac tumor and a second induction regimen of gemcitabine, paclitaxel, and oxaliplatin was administered for rising AFP. The patient eventually received an autologous bone marrow transplant using a regimen of high-dose carboplatin, thiotepa, and etoposide with concomitant colony-stimulating factor and romiplostim support followed by consolidative proton craniospinal radiotherapy. Posttreatment head MRI showed that no evidence of tumor growth and serum AFP was within normal limits. His Parkinsonism eventually resolved and he was weaned off all dopaminergic drugs.

Conclusion:

Bilateral Parkinsonism from NGGCT in this patient is probably caused by pressure on nigrostriatal tracts, substantia nigra, or both. The Parkinsonian symptoms can be reversed by aggressive treatment of the tumor and administration of dopaminergic drugs.
Museum Educational Online Products: Creation Prerequisites and Development Prospects
Authors: Gordin Valery E. , Sizova Irina A.
Published: May 2021

This article examines online educational products developed by museums both independently and in cooperation with educational institutions. The analysis revealed a pool of museum online products, including mass open online courses (MOOCs), specialized professional online courses (SPOCs), educational games, mobile apps, and podcasts. The authors identify advantages and features of each type of the museum online products (MOPs) and determine the prospects for their inclusion in the educational process.

The study aims to reveal the activity of different kinds of museums and museum communities in the development and implementation of educational online products both in their own educational activities, carried out by an increasing number of museums, and in the process of formal and non-formal education in cooperation with universities, schools, and further education institutions that implement it. The study discovered that museums develop both MOOCs that are traditional for the system of higher professional education, and educational online products, such as educational games, podcasts, and mobile applications with educational content, that are not widely used at present, but are promising for formal and, especially, non-formal education. An important result of the study was the conclusion about the common practice of cooperation between museums and universities in the joint development of online products, as well as about the feasibility of deploying such work with institutions of secondary general and vocational education.

The authors’ analysis of the system of museum educational online products allowed us to conclude that new players — museums — have appeared in the online education market in the role of organizations that create and use various online resources in their activities, including those that can be used in the field of education.
Phase Stability of the Tin Monochalcogenides SnS and SnSe: A Quasi-Harmonic Lattice-Dynamics Study
Authors: Pallikara Ioanna , Skelton Jonathan
Published: May 2021

The tin monochalcogenides SnS and SnSe adopt four different crystal structures, viz. orthorhombic Pnma and Cmcm and cubic rocksalt and π-cubic (P213) phases, each of which has optimal properties for a range of potential applications. This rich phase space makes it challenging to identify the conditions under which the different phases are obtained. We have performed first-principles quasi-harmonic lattice-dynamics calculations to assess the relative stabilities of the four phases of SnS and SnSe. We investigate dynamical stability through the presence or absence of imaginary modes in the phonon dispersion curves, and we compute Helmholtz and Gibbs free energies to evaluate the thermodynamic stability. We also consider applied pressures from 0-15 GPa to obtain temperature-pressure phase diagrams. Finally, the relationships between the different crystal phases are investigated by explicitly mapping the potential-energy surfaces along the imaginary phonon modes and by using the climbing-image nudged elastic-band method.
The Oxygen Reduction Reaction on Pt: Why Particle Size and Inter-particle Distance Matter
Authors: Inaba Masanori , Zana Alessandro , Quinson Jonathan , Bizzotto Francesco , Dosche Carsten , Dworzak Alexandra , Oezaslan Mehtap , Simonsen Søren Bredmose , Kuhn Luise Theil , Arenz Matthias
Published: May 2021

Carbon supported Pt based nanoparticles are important electrocatalysts for energy conversion reactions such as the oxygen reduction reaction (ORR). Although this reaction has been extensively studied, the influence of factors such as the particle size and inter-particle distance of the nanoparticle-based or nano-sized electrocatalysts on the ORR activity and durability are not yet fully understood and often intertwined. This lack of understanding is mostly based on the limitation in the synthetic approaches of the electrocatalysts which usually do not allow an independent variation of particle size and inter-particle distance. In the presented work, we succeeded to disentangle both factors using a “colloidal toolbox” approach and have demonstrated an effect of the inter-particle distance on the electronic properties of the nanoparticle via operando electrochemical X-ray absorption spectroscopy (XAS).
Materials Representation and Transfer Learning for Multi-Property Prediction
Authors: Kong Shufeng , Guevarra Dan , Gomes Carla P. , Gregoire John
Published: May 2021

The adoption of machine learning in materials science has rapidly transformed materials property prediction. Hurdles limiting full capitalization of recent advancements in machine learning include the limited development of methods to learn the underlying interactions of multiple elements, as well as the relationships among multiple properties, to facilitate property prediction in new composition spaces. To address these issues, we introduce the Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP) framework that seamlessly integrates (i) prediction using only a material’s composition, (ii) learning and exploitation of correlations among target properties in multitarget regression, and (iii) leveraging training data from tangential domains via generative transfer learning. The model is demonstrated for prediction of spectral optical absorption of complex metal oxides spanning 69 3-cation metal oxide composition spaces. H-CLMP accurately predicts non-linear composition-property relationships in composition spaces for which no training data is available, which broadens the purview of machine learning to the discovery of materials with exceptional properties. This achievement results from the principled integration of latent embedding learning, property correlation learning, generative transfer learning, and attention models. The best performance is obtained using H-CLMP with Transfer learning (H-CLMP(T)) wherein a generative adversarial network is trained on computational density of states data and deployed in the target domain to augment prediction of optical absorption from composition. H-CLMP(T) aggregates multiple knowledge sources with a framework that is well-suited for multi-target regression across the physical sciences.
Stereoselective Synthesis of Highly-Congested Tetralin-Fused Spirooxindoles with Hydroxyl Group: Net Oxygen Atom Induced Hydride Shift/cyclization Process.
Authors: Sakai Dan , machida mizuki , Mori Keiji
Published: May 2021

Highly stereoselective synthesis of tetralin-fused spirooxindoles with two contiguous stereogenic centers. In the present reaction, not only [1,5]-hydride shift/cyclization process, but also replacemnt of nitrogen atom to oxygen atom ocurred smoothly to give target structure with hydroxy grop in good chemical yields with good to excellent diastereoselectivities (up to d.r. = >20:1). Investigation of the reaction mechanism suggested that this “atom-replacement” event ocurred via the iminium cation intermediates.
(Bio-)Synthesis of the Aquatic Phytotoxin Cyanobacterin – A Paradigm for Furanolide Core Structure Assembly
Authors: D'Agostino Paul , Seel Catharina Julia , Gulder Tanja , Gulder Tobias
Published: May 2021

The gamma-butyrolactone structural motif is commonly found in many natural signaling molecules and other specialized metabolites. A prominent example is the potent aquatic phytotoxin cyanobacterin bearing a highly functionalized gamma-butyrolactone core structure. The enzymatic machinery assembling cyanobacterin and the many structurally related natural products – herein termed furanolides – has remained elusive over decades. Here we discover and characterize the underlying biosynthetic process of furanolide core structure assembly. The cyanobacterin biosynthetic gene cluster (cyb) is identified by targeted bioinformatic screening and validated by heterologous expression in E. coli. Functional evaluation of the recombinant key enzymes provides in-depth mechanistic insights into a streamlined C,C-bond-forming cascade that involves installation of compatible reactivity at seemingly unreactive C-alpha-positions of the amino acid precursors and facilitates development of a one-pot biocatalytic in vitro synthesis. Our work extends the biosynthetic and biocatalytic toolbox for gamma-butyrolactone formation. It thereby provides a general paradigm for the biosynthesis of furanolides and thus sets the stage for their targeted discovery, biosynthetic engineering and enzymatic synthesis.
Neither Sphere nor Cube - Analyzing the Particle Shape Using Small-Angle Scattering and the Superball Model
Authors: Dresen Dominique , Qdemat Asmaa , Zákutná Dominika , Wetterskog Erik , Kentzinger Emmanuel , Salazar-Alvarez Germán , Disch Sabrina
Published: May 2021

Accurate characterization of the nanocrystal shape with high statistical relevance is essential for exploiting the strongly shape-dependent properties of cuboidal nanoparticles towards applications.

This work presents the development of a new small-angle scattering form factor based on the superball geometry. The superball quantifies the characteristic rounding of corners and edges of cuboidalnanoparticles with a single parameter. Applied to small-angle scattering data of sufficiently monodisperse nanoparticles, the superball form factor enables differentiation between the effects of extended

particle size distribution and irregular particle shape. The quantitative application of the superball form factor is validated against microscopy data for a series of monodisperse nanoparticles and implemented into the user-friendly, open source software Sasview.
A Deep Learning Based Scaffold Hopping Strategy for the Design of Kinase Inhibitors
Authors: Hu Lizhao , Yang Yuyao , Zheng Shuangjia , Xu Jun , Ran Ting , Chen Hongming
Published: May 2021

Scaffold hopping is a widely used strategy for drug design towards kinase inhibitors. In current study, we proposed a fragment-based deep learning strategy for scaffold hopping towards the conserved hinge binding motif of kinase inhibitors in a large scale.
Machine Learning 3D-Resolved Prediction of Electrolyte Infiltration in Battery Porous Electrodes
Authors: Shodiev Abbos , Duquesnoy Marc , Arcelus Oier , Chouchane Mehdi , Li Jianlin , Franco Alejandro A.
Published: May 2021

Electrolyte infilitration is one of the critical steps of the manufacturing process of lithium ion batteries. Along with being the most time-consuming step in manufacturing, electrolyte wetting directly impacts the battery cell energy density, power density and cycle life. We present here an innovative machine learning model to fast and accurately predict electrolyte infiltration in three dimensions in lithium ion battery electrodes. Our machine learning model is able to speed up the infiltration predictions by several orders of magnitude compared to a physics-based model based on Lattice Boltzmann Method, paving the way towards massive computational screening of electrode mesostructures/electrolyte pairs to unravel their impact on the cell wetting and optimize electrolyte infiltration conditions.
Incomplete Data Sets in the Model Free Analysis of Experimental Residual Dipolar Couplings in Small Organic Compounds
Authors: Roth Felix , Schmidts Volker , Rettig Jan , Thiele Christina
Published: May 2021

Residual dipolar couplings (RDCs) contain information on the relative arrangement and dynamics of internuclear spin vectors in chemical compounds. The recently introduced software TITANIA implements the MFA and extracts structure and dynamics parameters directly from experimental RDCs to facilitate de novo structure refinement for small organic compounds. Herein, we focus on the challenges faced with experimentally inaccessible data often encountered for small organic compounds leading to voids in the RDC matrix and the concomitant effects on the structure refinement. It is shown that RDC data sets obtained experimentally from currently available alignment media and measurement methods are of sufficient quality to allow relative configuration determination even when the relative configuration of the analyte is completely unknown.
Contrasting Effects of Inhibitors Li+ and Be2+ on Catalytic Cycle of Glycogen Synthase Kinase-3β
Authors: Reilley David , Arraf Zaher , Alexandrova Anastassia N.
Published: May 2021

Ionic lithium shows rare effectiveness for treating bipolar disorder and is a promising drug for treating neurodegenerative diseases. Unfortunately, lithium suffers from significant drawbacks as a drug, mainly a narrow therapeutic window. Among the different targets of lithium, glycogen synthase kinase 3β (GSK-3β) might be the one responsible for its therapeutic effects. Developing alternative, selective inhibitors of this kinase could avoid lithium side effects, but efforts to do so have met little success so far. A detailed, atomistic understanding of Li+ inhibition and a more detailed understanding of the phosphorylation reaction GSK-3β catalyzes would therefore facilitate the development of new drugs. In this study, we use extensive sampling of catalytic states with our mixed quantum-classical dynamics method QM/DMD and binding affinities from a competitive metal affinity (CMA) approach to fill out the atomic scale picture of Li+ GSK-3β inhibition. We compare Li+ action with Be2+, another known inhibitor, and find our results in agreement with in-vitro kinetics studies. Ultimately, our simulations show that Li+ inhibition is driven primarily by directly decreasing the reaction rate of the phosphorylation step, rather than reducing catalytic turnover through tight binding to different GSK-3β states like Be2+ inhibition. The effect of these metals derive from electrostatic differences and especially their smaller atomic radii compared to the native Mg2+ and thus provides insight for the development of GSK-3β inhibitors based on other paradigms.
Steric and Electronic Effects of Ligand Substitution on Redox-Active Fe4S4-Based Coordination Polymers
Authors: Salinas Omar , Xie Jiaze , Papoular Robert J. , Horwitz Noah E. , Elkaim Erik , Filatov Alexander S. , Anderson John
Published: May 2021

One of the notable advantages of molecular materials is the ability to precisely tune structure, properties, and function via molecular substitutions. While many studies have demonstrated this principle with classic carboxylate‐based coordination polymers, there are comparatively fewer examples where systematic changes to sulfur‐based coordination polymers have been investigated. Here we present such a study on 1D coordination chains of redox‐activeiron-sulfur clusters linked by methylated 1,4‐benzene‐dithiolates. A series of new iron-sulfur based coordination polymers were synthesized with either 2,5‐dimethyl‐1,4‐benzenedithiol (DMBDT) or 2,3,5,6‐tetramethyl‐1,4‐benzenedithiol. The structures of these compounds have been characterized based on synchrotron Xraypowder diffraction while their chemical and physical properties have been characterized by techniques including X‐ray photoelectron spectroscopy, cyclic voltammetry and UV–visible spectroscopy. Methylation results in the general trend of increasing electron‐richness in the series, but the tetramethyl version exhibits unexpected properties arising from steric constraints. All these results highlight how substitutions on organic linkers can modulate electronic factors to fine‐tune the electronic structures of metal‐organic materials.
Molecular Transformer-aided Biocatalysed Synthesis Planning
Authors: Probst Daniel , Manica Matteo , Teukam Yves Gaëtan Nana , Castrogiovanni Alessandro , Paratore Federico , Laino Teodoro
Published: May 2021

Enzyme catalysts are an integral part of green chemistry strategies towards a more sustainable and resource-efficient chemical synthesis. However, the use of enzymes on unreported substrates and their specific stereo- and regioselectivity are domain-specific knowledge factors that require decades of field experience to master. This makes the retrosynthesis of given targets with biocatalysed reactions a significant challenge. Here, we use the molecular transformer architecture to capture the latent knowledge about enzymatic activity from a large data set of publicly available biochemical reactions, extending forward reaction and retrosynthetic pathway prediction to the domain of biocatalysis. We introduce the use of a class token based on the EC classification scheme that allows to capture catalysis patterns among different enzymes belonging to the same hierarchical families. The forward prediction model achieves an accuracy of 49.6% and 62.7%, top-1 and top-5 respectively, while the single-step retrosynthetic model shows a round-trip accuracy of 39.6% and 42.6%, top-1 and top-10 respectively. Trained models and curated data are made publicly available with the hope of promoting enzymatic catalysis and making green chemistry more accessible through the use of digital technologies.