Floppy molecules—their internal dynamics, spectroscopy and applications

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Iwona Gulaczyk ◽  
Marek Kręglewski
Keyword(s):  
Internal Rotation ◽  
Dynamic Geometry ◽  
Molecular Spectra ◽  
Internal Dynamics ◽  
Theoretical Approaches ◽  
Different Types ◽  
Long Time ◽  
Floppy Molecules ◽  
Large Amplitude Vibrations ◽  
Effective Hamiltonians

Abstract Floppy molecules can be defined as molecules performing large amplitude vibrations (LAVs). There are different types of LAVs among which the most common are inversion and internal rotation. Molecules with LAVs have been of great interest for a very long time since their dynamic, geometry and molecular spectra were very often considered as a challenge. In the review, we present an outline of the history and development of various theoretical approaches concerning molecules with LAVs. Different types of LAVs are described with the emphasis on inversion tunneling (wagging) and internal rotation (torsion). Furthermore, strategies for building explicit and effective Hamiltonians are given and explained in detail using a hydrazine molecule, which is an exemplary molecule performing three LAVs—two inversions and one internal rotation. Since floppy molecules play a significant role in numerous areas as chemistry, pharmacy, astrophysics, biology, agriculture etc., we also provide an overview of their applications.

scholarly journals Creativity as a function of problem-solving expertise: posing new problems through investigations

ZDM ◽  
2021 ◽  
Author(s):  
Haim Elgrably ◽  
Roza Leikin
Keyword(s):  
Problem Solving ◽  
Dynamic Geometry ◽  
Problem Posing ◽  
Dynamic Geometry Environment ◽  
Mathematics Majors ◽  
Individual Interviews ◽  
University Mathematics ◽  
Domain Specific ◽  
Mathematics Test ◽  
Different Types

AbstractThis study was inspired by the following question: how is mathematical creativity connected to different kinds of expertise in mathematics? Basing our work on arguments about the domain-specific nature of expertise and creativity, we looked at how participants from two groups with two different types of expertise performed in problem-posing-through-investigations (PPI) in a dynamic geometry environment (DGE). The first type of expertise—MO—involved being a candidate or a member of the Israeli International Mathematical Olympiad team. The second type—MM—was comprised of mathematics majors who excelled in university mathematics. We conducted individual interviews with eight MO participants who were asked to perform PPI in geometry, without previous experience in performing a task of this kind. Eleven MMs tackled the same PPI task during a mathematics test at the end of a 52-h course that integrated PPI. To characterize connections between creativity and expertise, we analyzed participants’ performance on the PPI tasks according to proof skills (i.e., auxiliary constructions, the complexity of posed tasks, and correctness of their proofs) and creativity components (i.e., fluency, flexibility and originality of the discovered properties). Our findings demonstrate significant differences between PPI by MO participants and by MM participants as reflected in the more creative performance and more successful proving processes demonstrated by MO participants. We argue that problem posing and problem solving are inseparable when MO experts are engaged in PPI.

scholarly journals Deep foundations of happiness. Principal fundamentals of different types of understanding happiness

2021 ◽  
Vol 76 (1) ◽  
pp. 23-29
Author(s):  
L. Samarska ◽  
◽  
N.M. Sas ◽  
Keyword(s):  
Time Management ◽  
Well Being ◽  
Free Play ◽  
Deep Foundations ◽  
Subjective Well Being ◽  
Physiological Basis ◽  
Basic Principles ◽  
Theoretical Approaches ◽  
Different Types ◽  
Definition Of

The choice of the article’s topic is conditioned by the necessity to develop happiness management (such as knowledge management, time management, etc.). With considerable attention to the definition of “happiness”, the analysis of recent publications reveals that it is crucial to understand the deep foundations of happiness, create a typology, reveal the basic principles of different types of understanding of happiness, which was chosen as the topic research. Theoretical approaches to the definition of “happiness” are chosen sociology of imagination of G. Durand, the theory of archetypes of C. Jung, and the theory of images and dreams of G. Bachelard. In the context of this system of views, the idea of happiness is the result of a free play of the imagination, which, while being on the path from past to future, is transformed, revealed, comes accurate as a result of previous collective and individual intermediate ideas, and is enriched and concretised by individual people, social groups, individuals. The mythos of happiness across nations and people differs in the way, method, and tools of individuation, the discovery of the Self. The anthropological tract of happiness has an end to its existence. It is determined by the cessation of existence, the life of nations and individuals. The desire to experience pleasure (according to Freud), the desire to rise (according to Durand) are reflexive, which determines the physiological basis of happiness. Representations of happiness determine priorities, coordinate the direction of thinking, actions, reactions to external circumstances, and choose ways to achieve happiness. This is done through the transcendental function (according to Jung) – a psychological function that arises from the connection of the content of the unconscious with the content of consciousness. Achieving happiness allows one to strengthen the subjectivity and reveal their uniqueness, which allows them to identify typological features (archetypes) of behavioural reactions of people based on individual and group ideas about happiness. The authors reveal the basic foundations of such archetypes of happiness as hedonism, eudemonia, “rat racing”, nihilism, subjective well-being.

scholarly journals Phosphate and Ammonium Removal from Wastewaters Using Natural-Based Innovative Bentonites Impacting on Resource Recovery and Circular Economy

Molecules ◽  
2021 ◽  
Vol 26 (21) ◽  
pp. 6684
Author(s):  
Miltiadis Zamparas ◽  
Grigorios L. Kyriakopoulos ◽  
Marios Drosos ◽  
Vasilis C. Kapsalis
Keyword(s):  
Circular Economy ◽  
Low Cost ◽  
Resource Recovery ◽  
Sem Analysis ◽  
Langmuir Model ◽  
Treated Wastewater ◽  
Ammonium Removal ◽  
Different Types ◽  
Long Time ◽  
Ph Range

The research objective of the study is the estimation of a novel low-cost composite material f-MB (Fe-modified bentonite) as a P and N adsorbent from wastewaters. Τhe present study aimed at examining the phosphate and ammonium removal efficiency from different types of wastewater using f-MB, by conducting bench-scale batch experiments to investigate its equilibrium characteristics and kinetics. The SEM analysis revealed that the platelets of bentonite in f-MB do not form normal bentonite sheets, but they have been restructured in a more compact formation with a great porosity. Regarding the sorption efficiencies (Qm), the maximum phosphate sorption efficiencies (Qm) calculated using the Langmuir model were 24.54, 25.09, 26.13, 24.28, and 23.21 mg/g, respectively, for a pH range of 5 to 9. In addition, the maximum NH4+-N adsorption capacities (Qm) calculated from the Langmuir model were 131.8, 145.7, 168.5, 156.7, and 159.6 mg/g, respectively, for a pH range from 5 to 9. Another important finding of this study is that f-MB can recover P from treated wastewater impacting on resource recovery and circular economy (CE). The modified clay f-MB performed the phosphate and ammonium recovery rates of 80% and 78.5%, respectively. Finally, f-MB can slowly release the largest proportion of phosphate and ammonium ions for a long time, thus extending the application of the f-MB material as a slow-release fertilizer and soil improver.

scholarly journals Evaluations of All-in-One, Polycarboxylate-Based Superplasticizer with Viscosity Modifying Agents for the Application of Normal-Strength, High-Fluidity Concrete

2021 ◽  
Vol 11 (23) ◽  
pp. 11141
Author(s):  
Tae-Woong Kong ◽  
Hyun-Min Yang ◽  
Han-Seung Lee ◽  
Chang-Bok Yoon
Keyword(s):  
Compressive Strength ◽  
Rheological Properties ◽  
Yield Stress ◽  
Lower Yield ◽  
Lower Yield Stress ◽  
Slump Flow ◽  
Different Types ◽  
Long Time ◽  
Normal Strength ◽  
Physical Phenomena

High fluidity concrete exhibits an excellent self-compacting property. However, the application of typical high-fluidity concrete is limited in the normal strength range (18~35 MPa) due to the large amount of binder. Therefore, it is important to solve these problems by adding a viscosity modifying agent (VMA) with a superplasticizer (PCE), which helps to improve the fluidity of the concrete. In addition, the rheology and stability of the concrete with VMA can be improved by preventing bleeding and segregation issues. Current studies focused on the physical phenomena of concrete such as the fluidity, rheological properties, and compressive strength of normal-strength, high-fluidity concrete (NSHFC) with different types of a polycarboxylate-based superplasticizer (NPCE). The obtained results suggested that the combinations of all-in-one polycarboxylate-based superplasticizers (NPCE) did not cause any cohesion or sedimentation even stored for a long time. The combination of three types of VMA showed the best fluidity (initial slump flow of 595~630 mm) without any segregation and bleeding, and the compressive strength at 28 days was also found to be the highest: 34–37 MPa. From these results, the combination of PCE (2.0%) + HPMC (0.3%) + WG (0.1%) + ST (0.1%) showed an 18% higher plastic viscosity and -4.4% lower yield stress than Plain.

scholarly journals The Worshipers of Stones. Lacandon Sacred Stone Landscape

2020 ◽  
Vol 20 (1) ◽  
pp. 1-27
Author(s):  
Milan Kováč
Keyword(s):  
Archaeological Site ◽  
Theoretical Approaches ◽  
Different Types ◽  
Spiritual Energy ◽  
Different Levels ◽  
Rock Shelters

Abstract This article deals with the Lacandon cosmology, one of the few Maya cosmologies which has been exceptionally structured and until today, very well preserved. The present study is based mainly on associations related to stone. There are investigated the emic classifications of the Lacandon. Their classification of divine beings according to their location, and their connection to the stone houses, whether of natural or cultural origin. In the article are analyzed the most sacred Lacandon sites such as the rock shelters, cliffs and caves around the Lake Mensäbäk and Lake Yahaw Petha, as well as Yaxchilan, the archaeological site with the long tradition of Lacandon pilgrimages. The Lacandon believe in different types of transfer of spiritual energy through stone. The stones could be considered on different levels as the seat, heart or embodiment of deities. These relationships and contexts are very complex. The article tries to identify it and to offer some linguistic and theoretical approaches.

scholarly journals Review of LHC dark matter searches

2017 ◽  
Vol 32 (13) ◽  
pp. 1730006 ◽  
Author(s):  
Felix Kahlhoefer
Keyword(s):  
Dark Matter ◽  
Experimental Search ◽  
Theoretical Approaches ◽  
Different Types

This review discusses both experimental and theoretical aspects of searches for dark matter at the LHC. An overview of the various experimental search channels is given, followed by a summary of the different theoretical approaches for predicting dark matter signals. A special emphasis is placed on the interplay between LHC dark matter searches and other kinds of dark matter experiments, as well as among different types of LHC searches.

Structure Theory and Government IT

2008 ◽  
pp. 361-375
Author(s):  
J. Ramon Gil-Garcia ◽  
Shahidul Hassan
Keyword(s):  
Public Administration ◽  
Information Technologies ◽  
Organizational Structures ◽  
Structure Theory ◽  
Complex Nature ◽  
Dynamic Relationship ◽  
Theoretical Approaches ◽  
Technological Artifacts ◽  
The Social ◽  
Long Time

The relationship between information technologies (IT) and organizational (structural) change has been a topic of interest for public administration and policy scholars for a long time (Dawes, Gregg, & Agouris, 2004; Fountain, 2001; Garson, 2004; Heeks, 1999; Heintze & Bretschneider, 2000; Kling & Lamb, 2000; Kling & Schacchi, 1982; Kraemer & King, 2003; Kraemer, King, Dunkle, & Lane, 1989; Rocheleau, 2000). Initially, most studies were somewhat deterministic in nature, arguing that either IT had the power to transform organizational structures, or that organizational and institutional factors largely determined the characteristics and effects of IT. Current research in information systems (W. Orlikowski, 2000; W. J. Orlikowski, 1992; W. J. Orlikowski & Robey, 1991), organizational studies (Barley, 1990; De- Sanctis & Poole, 1994), and public administration and policy (Fountain, 2001), however, indicate that the relationships between IT and organizational structures are not so simple. In fact, they are recursive, complex, and somewhat unpredictable. Employing what has been called the ensemble view of technology (W. J. Orlikowski & Iacono, 2001), these studies argue that research on IT in organizations should focus not only on the technological artifacts themselves, but also on the social relationships around their adoption, development, and use. Thus, they use, and encourage others to use, theoretical approaches that call attention to the social and complex nature of IT in organizations. Structuration theory (Giddens, 1984) is one such theoretical approach that has proved to be useful in studying the dynamic relationship between IT and organizational structure.

Semantic and Pragmatic Analyses of Terms of Address in Taiwanese Southern Min

2012 ◽  
Vol 6 (2) ◽  
pp. 173-189
Author(s):  
Li-Hsueh Chen
Keyword(s):  
Social Distance ◽  
Third Parties ◽  
Main Concern ◽  
Semantic Features ◽  
Speech Event ◽  
Direct Address ◽  
Theoretical Approaches ◽  
Southern Min ◽  
Different Types ◽  
Taiwanese Southern Min

According to Chao (1956:230) terms of address in Chinese fall into three categories: vocative terms, designative terms and learned terms. Vocative terms are terms of direct address. Designative terms are used to refer to third parties. Learned terms are often used in epistolary style and scientific description. The main concern of this paper is vocative terms and designative terms. This paper will also examine self-addressing terms that Chao does not deal with. These three types of terms of address are referred to collectively as colloquial terms of address. The theoretical framework of the present paper for the study of the use of terms of addresses in Taiwanese Southern Min (TSM for short) is based on theoretical approaches of previous studies on terms of address in modern Mandarin (Gu 1990:248-252) as well as principles of sociolinguistics (Holmes 1992:372-376). Building on earlier studies, this paper aims at fleshing out the semantic features of different types of terms of address and their characteristics in TSM. The pivotal consideration is the speech event that takes place between speaker and hearer. I will then compare the differences in the use of terms of address between TSM and Mandarin, and explore the intriguing phenomena concerning the conflict between the use of kinship terms of address and self-denigration. The extended use of kinship terms bears on issues of solidarity / social distance and status / power.

Factors Influencing the Stillbirth Rates in Single and Multiple Births in Sweden, 1869 to 1967

2006 ◽  
Vol 9 (4) ◽  
pp. 591-596 ◽  
Author(s):  
Aldur W. Eriksson ◽  
Johan Fellman
Keyword(s):  
Rural Areas ◽  
Temporal Variations ◽  
Multiple Births ◽  
Stillbirth Rate ◽  
Rural Regions ◽  
Factors Influencing ◽  
Different Types ◽  
Long Time ◽  
Married Mothers ◽  
The Difference

AbstractTemporal variations in the stillbirth rate among singletons, twins and triplets in Sweden between 1869 and 1967 were studied. Both among single and multiple births there were marked secular decreasing trends in the stillbirth rates. Based on our long time series since 1869, this study confirms that among twins and triplets the stillbirth rate was higher among same-sexed than among opposite-sexed sets. Comparisons between the stillbirth rates among twin births in urban and rural regions indicate higher stillbirth rates in rural areas. In addition, the stillbirth rates among twins of unmarried mothers were higher than those of twins of married mothers. These findings also hold for both same-sexed and opposite-sexed twin pairs. Analyses of the stillbirth rates for singletons and for different types of twins indicate that up to 1950 the risk of stillbirth among males was almost constantly between 15% to 20% higher than among females. After that the difference in the risk decreased. Comparisons with other populations were performed.

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