First-principle density-functional calculation of the Raman spectra of BEDT-TTF

We present a first-principles density-functional calculation for the Raman spectra of a neutral BEDT-TTF molecule. Our results are in excellent agreement with experimental results. We show that a planar structure is not a stable state of a neutral BEDT-TTF molecule. We consider three possible conformations and discuss their relation to disorder in these systems.Comment: 3 pages, 2 figures, submitted to the proceedings of ISCOM 200

X-Ray scattering study of the average polycyclic aromatic unit in Ledo coal

This report is an attempt to understand the short-range structural features, to determine the relationship(s) between the aryl/alkyl carbon ratio, and to determine the size of the average polycyclic aromatic unit in Ledo coal from Makum coalfield, Assam, India. An X-ray scattering analysis of the average polycyclic aromatic unit in the coal indicates that the aromatic fraction in this coal is 74% with the aliphatic fraction correspondingly estimated to be 26%. The average carbon atom has 2.3 nearest carbon atom neighbours at an average bond distance of 1.50 (1) Å. The average stacking height of the parallel aromatic layers and the average diameter of the aromatic layers are estimated to be 7.58 Å and 4.86 Å, respectively. For this coal, the average number of stacking layers and the average number of atoms per layer are estimated to be 2 and 8, respectively. In addition, the Gamma band is observed at a d value of 4.42 Å

PAN AIR: A computer program for predicting subsonic or supersonic linear potential flows about arbitrary configurations using a higher order panel method. Volume 2: User's manual (version 3.0)

A comprehensive description of user problem definition for the PAN AIR (Panel Aerodynamics) system is given. PAN AIR solves the 3-D linear integral equations of subsonic and supersonic flow. Influence coefficient methods are used which employ source and doublet panels as boundary surfaces. Both analysis and design boundary conditions can be used. This User's Manual describes the information needed to use the PAN AIR system. The structure and organization of PAN AIR are described, including the job control and module execution control languages for execution of the program system. The engineering input data are described, including the mathematical and physical modeling requirements. Version 3.0 strictly applies only to PAN AIR version 3.0. The major revisions include: (1) inputs and guidelines for the new FDP module (which calculates streamlines and offbody points); (2) nine new class 1 and class 2 boundary conditions to cover commonly used modeling practices, in particular the vorticity matching Kutta condition; (3) use of the CRAY solid state Storage Device (SSD); and (4) incorporation of errata and typo's together with additional explanation and guidelines

Effect of Graded Levels of Condensed Tannin (CT) from \u3cem\u3eMimosa pudica\u3c/em\u3e on \u3cem\u3ein-Vitro\u3c/em\u3e Methane Production

Livestock in the country are primarily being fed on fibrous feed resulted in high enteric methane (CH4) emission along with low nutrients availability to host animal. Rumen methano genesis is necessary for the host system as this process ensure the removal of fermentative H2 through the reduction of CO2 into CH4. At the same time this process is wasteful because the emission also represents a loss of dietary energy (6-12% of gross energy intake) apart from contributing to global warming. Worldwide livestock contribute around 90-95 Tg methane to the pool with a contribution of 12-13% from the Indian livestock. Various nutritional and other approaches have been attempted with highly variable success rate in the country and elsewhere for the enteric methane amelioration. The cost of the item used for the mitigation purpose, adaptation of ruminal microbes and toxicity to either host animal or inhabiting microbes are few important criteria for an economic, sustainable and effective amelioration approach (Malik et al. 2015). Herbal materials are being used by the peoples since ages; however, their anti-methanogenic effect is recently established. The anti-methanogenic effect of different herbal materials mainly lies in their secondary metabolites which are highly effective even at very low concentration (Bhatta et al., 2014). Keeping these facts in view, a study was carried to ascertain the effect of varying levels of CT on in vitro total gas and methane production

Effect of Selected Tanniniferous Leaves on \u3cem\u3ein Vivo\u3c/em\u3e Enteric Methane Emission in Sheep

Concentration of methane is continuously increasing in atmosphere and now almost 155% (IPCC, 2007) more than that recorded during pre-industrial era. Livestock production is a major sector accountable for high methane emission into atmospheric pool. World’s livestock is contributing around 15% of total atmospheric methane on annual basis feeds (Moss et al., 2000). Additionally, methane emission from ruminants leads to a loss of 2 to 15% of the dietary energy (Holter and Young, 1992). Due to these two crucial issues, researchers are working tirelessly to find a suitable and effective way for enteric methane amelioration accompanied with minimal inputs. So far numerous interventions have been tried with variable results, but due to one or another reason the search for effective strategy is on the priority of animal scientist. One of the possible approaches for enteric methane amelioration may be the use of plant secondary metabolites which are being traditionally used by the people since ages. Under the ICAR sponsored outreach project on Estimation of methane emission under different feeding systems and development of mitigation strategies more than 1700 feed, herbs and grasses samples were screened through in vitro gas production technique at different participating centres and finally selected few plant & herbs for evaluating the secondary metabolites on in vivo enteric methane emission. Three selected tanniniferous leaves were evaluated for their effect on enteric methane emission and feed fermentability in adult sheep

Kondo resonances and anomalous gate dependence of electronic conduction in single-molecule transistors

We report Kondo resonances in the conduction of single-molecule transistors based on transition metal coordination complexes. We find Kondo temperatures in excess of 50 K, comparable to those in purely metallic systems. The observed gate dependence of the Kondo temperature is inconsistent with observations in semiconductor quantum dots and a simple single-dot-level model. We discuss possible explanations of this effect, in light of electronic structure calculations.Comment: 5 pages, four figures. Supplementary material at http://www.ruf.rice.edu/~natelson/publications.htm

Balancing voices and views in socratic circle seminars: A self-study

Abstract: Object of study. My research revolves around Socratic Circle Seminars (SCSs) which are intellectual conversations and democratic discussions carried out between students and centered on exploring and interpreting common texts (Adler, 1982; Lambright, 1995; Copeland, 2005). This form of qualitative research and practitioner inquiry (Samaras, 2015) draws upon my 15 years of experience in implementing SCSs in Enriched English as a Second-Language (EESL) classrooms at the Académie Ste-Thérèse in Québec (2001-2017). Specifically, this Self-Study focuses on how I conducted three SCSs in my EESL classes in Secondary 5 (94 learners) in June 2017. Problem. Despite all my classroom experience with SCSs, my recalibration of practice, my production of resources as well as my outreach to the teaching and research community (Nelson, 2008, 2010, 2011, 2015a, 2015b), I still face the recurrent problem of uneven student participation as well as the unbalanced expression of viewpoints. This situation is explored from the vantage point of “living educational theory” (McNiff, Lomax, & Whitehead, 2003; McNiff & Whitehead, 2006; Samaras, 2011) by framing and reframing typical problems as disjunctions or discrepancies between practice and belief. General and Specific Research Objectives & Hypothesis. Generally, I seek to identify what needs to be done to get all learners to participate more actively in Socratic Circle Seminars so that the process of meaningful and democratic dialogue includes more voices and balances more views. Specifically, I will be looking to better align my practice with my belief by identifying “avoidable obstacles” through more strategic teaching. Research Design and Methodology. This research corresponds to “Reflexive Analysis of One’s Professional Practice” (Paillé, 2007). In terms of underlying methodological guidelines, I am applying the “Five Foci” framework of Self-Study Teacher Research (Samaras, 2011, p.94): 1) personal situated inquiry; 2) critical collaborative inquiry; 3) improved learning; 4) transparent and systemic research process; 5) knowledge generation and presentation. Data Analysis, Interpretation & Assessment. I collected and catalogued three types of data (Hendricks, 2006) from a variety of sources and in a variety of formats: 1) teacher-produced artefacts; 2) observational data; and 3) inquiry data. I employed “constant comparative method” (Creswell, 2007), presented the evidence into emerging and converging themes and later conducted a categorical analysis of the evidence. The data analysis and interpretation as well as my methodology was assessed by my Critical Friend Team to increase validity, ensure transparency and secure trustworthiness of findings. Summary conclusions. My findings show that I had been unintentionally short-circuiting my own better intentions about using SCSs to implement student-centered learning and participation. The most significant finding of my research shows the necessity of adopting a more pro-active coaching role as a teacher and developing very flexible and differentiated coaching skills. Originality of contribution. Beyond this specific educational context of second-cycle high-school EESL teaching in Québec, this study would be of special interest for those who wish to implement SCSs in their own classrooms in a more systematic way. Novice and seasoned teachers alike who read this study would be better prepared to understand tested practices that shape stronger participation in student-centered, democratic and academic conversations.Objet d’étude. Ce projet de recherche comporte une analyse réflexive entourant ma pratique dans l’enseignement des « Séminaires de Cercles Socratiques » (SCSs) au deuxième cycle du secondaire en tant qu’enseignant d’Anglais langue-seconde enrichi à l’Académie Ste-Thérèse au Québec. Les SCSs sont des conversations intellectuelles et discussions démocratiques centrées sur l’exploration et l’interprétation de sujets et de textes plus complexes (Adler, 1982; Lambright, 1995; Copeland, 2005). Plus précisément, ce projet de recherche qualitative propose une auto-analyse de ma pratique pédagogique (Samaras, 2015) avant, pendant et après trois SCSs pilotés dans des cours d’anglais enrichis en 5e secondaire (94 apprenants) au mois de juin 2017. Problématique. Malgré 15 ans d’expérience en classe avec les SCSs, le partage de mon expertise dans la communauté de la recherche en enseignement au Québec (Nelson, 2008, 2010, 2011, 2015a, 2015b), la production d’outils didactiques, ainsi que le réinvestissement de mes réflexions dans l’action pédagogique, les problèmes portant sur la participation active ainsi que l’expression plus équilibrée des perspectives multiples persistent. Cette situation est explorée à partir de la perspective d’un enseignant qui cherche à recadrer des problèmes typiques en tant que divergences entre ses croyances et sa pratique, selon le courant de « living educational theory » (McNiff, Lomax, Whitehead, 2003 ; McNiff & Whitehead, 2006 ; Samaras, 2011). Objectif général et objectif spécifique de recherche ainsi que l’hypothèse. Généralement, je cherche à identifier ce qui doit être fait afin de favoriser un plus grand nombre d’apprenants à participer dans les SCSs pour enclencher un processus de dialogue démocratique signifiant qui inclut plus de voix et balance plus de perspectives. Plus précisément, je cherche à mieux aligner ma pratique avec mes croyances tout en identifiant les « obstacles potentiels » à travers un enseignement plus stratégique. Modèle d’essai et méthodologie de recherche. Ce projet de recherche correspond à « une auto-analyse réflexive de sa pratique professionnelle » (Paillé, 2007). En termes méthodologiques, ce projet applique le cadre « Cinq Axes » ou « Five Foci Framework of Self-Study Teacher Research» (Samaras, 2011, p.94) qui comporte les principes récursifs et herméneutiques suivants : 1) investigation personnelle et située; 2) investigation critique et collaborative; 3) apprentissage amélioré; 4) processus systémique et transparent de recherche; 5) production et présentation du savoir. Analyse, intérprétation et validation des données. J’ai récolté et compilé trois types de données (Hendricks, 2006) provenant d’une variété de sources et de formats : 1) des artéfacts produits par l’enseignant; 2) des données observées; 3) des données d’évaluation. J’ai utilisé la « méthode constante et comparative » (Creswell, 2007), présenté des thèmes émergents de mes données afin d’en faire une analyse catégorique. Des membres de mon équipe d’amis critiques (Critical Friends Team) ont validé la méthodologie utilisée, ainsi que l’analyse et l’interprétation de données afin d’assurer la transparence, garantir la fiabilité et augmenter la crédibilité de ma recherche. Conclusions sommaires. Mes découvertes démontrent que j’étais en train de court-circuiter ma propre vision socio-constructiviste de l’apprentissage et l’enseignement au sein des SCSs. La découverte la plus probante de ma recherche porte sur la nécessité d’accorder une place plus importante au rôle de coach-enseignant. De plus, je dois dévellopper davantage des compétences flexibles et différenciées en coaching

FT-IR spectroscopic investigation of high sulphur assam coals and their solvent-extracts

The FT-IR spectroscopic techniques were used to understand the structural feature of four samples of high sulphur Assam coals and their extracts in polar solvents. Pyridine, N, N-Dimethyl Acetamide and Ethyl Acetate were used for extraction of the coals at their reflux temperatures in a Soxhlet apparatus. The difference-FT-IR spectroscopic technique was used to characterize the compositions of extracts. The extracts were found to contain characteristic absorption bands of original coals. Both aromatic and aliphatic C-H stretching bands were observed in the spectra of extracts. The spectral interpretations of the extracts closely resembled the parent coal structures. The relative transmittances of characteristic bands in extract spectrum suggest that the distribution of functional groups in coals were somewhat effected due to the interaction with the solvents. The spectra show some depletion of bands along with increase in some regions. The information regarding the structure of coal and extracts obtained by this method are qualitative in nature but very much useful in coal utilizations. © Geol. Soc. India