OctaDist is an interactive and visual program for determination of structural distortion in octahedral coordination complexes such as spin crossover complexes, single-ion magnets, perovskites or ...metal-organic frameworks. OctaDist computes the octahedral distortion parameters initially designed in the context of the spin-crossover phenomenon and denoted
ζ
,
Σ
, and
Θ
from standard structural files. The program also provides additional tools for molecular analyses and visualization. It emphasizes performance, flexibility, ease of use, application programming interface (API) consistency, and clear documentation. The modules and classes in OctaDist can be easily customized to include new algorithms or analytical tools. OctaDist is cross-platform supported for modern operating systems and is available as open-source distributed under the GNU General Public License version 3.
OctaDist, a program for calculating three common octahedral distortion parameters, is presented and the calculation of the trigonal distortion parameter,
Θ
is standardized for the first time.
Reconsidering Culture and Poverty Small, Mario Luis; Harding, David J.; Lamont, Michèle
The Annals of the American Academy of Political and Social Science,
05/2010, Letnik:
629, Številka:
1
Journal Article
Molecular magnetic switches are expected to form the functional components of future nanodevices. Herein we combine detailed (photo‐) crystallography and magnetic studies to reveal the unusual ...switching properties of an iron(III) complex, between low (LS) and high (HS) spin states. On cooling, it exhibits a partial thermal conversion associated with a reconstructive phase transition from a HS‐HS to a LS‐HS phase with a hysteresis of 25 K. Photoexcitation at low temperature allows access to a LS‐LS phase, never observed at thermal equilibrium. As well as reporting the first iron(III) spin crossover complex to exhibit reverse‐LIESST (light‐induced excited spin state trapping), we also reveal a hidden hysteresis of 30 K between the hidden LS‐LS and HS‐LS phases. Moreover, we demonstrate that FeIII spin‐crossover (SCO) complexes can be just as effective as FeII systems, and with the advantage of being air‐stable, they are ideally suited for use in molecular electronics.
Light revealing: Thermal and optical switching in an iron(III) spin‐crossover complex reveals a hidden hysteresis of 30 K. The results show that FeIII spin‐crossover complexes can be just as effective as FeII systems, and with the advantage of being air‐stable, they are suited for use in molecular electronics.
A series of three solvates Fe(naphPren)
2
I·CH
2
Cl
2
1
, Fe(naphPren)
2
I·CHCl
3
2
and Fe(naphPren)
2
I·acetone
3
with the novel ligand HnaphPren ...{2-((2-(propylamino)ethylimino)methyl)naphthalen-2-ol} is reported. Magnetic studies of these complexes reveal that
1
exhibits an abrupt SCO at 162 K, whereas
2
possesses a more gradual SCO centred at 172 K.
3
is trapped in the HS state, but irradiation at 980 nm enables accessibility to a hidden LS state
via reverse
-LIESST. The structures of
1-3
reveal that
1
and
2
show reversible disorder in the propyl group that is coupled to SCO which is absent in the acetone solvate. This study demonstrates how solvent subtly alters the packing impacting the potential flexibility of the propyl chain and thereby switching SCO on or off.
A series of three solvates Fe(naphPren)
2
I·CH
2
Cl
2
1
, Fe(naphPren)
2
I·CHCl
3
2
and Fe(naphPren)
2
I·acetone
3
showing thermal and light-induced spin crossover is reported.
This article investigates the causal effects of neighborhood on high school dropping out and teenage pregnancy within a counterfactual framework. It shows that when two groups of children, identical ...at age 10 on observed factors, experience different neighborhoods during adolescence, those in high-poverty neighborhoods are more likely to drop out of high school and have a teenage pregnancy than those in low-poverty neighborhoods. Causal inferences from such associations have been plagued by the possibility of selection bias. Using a new method for sensitivity analysis, these effects are shown to be robust to selection bias. Unobserved factors would have to be unreasonably strong to account for the associations between neighborhood and the outcomes. 10 Tables, 2 Figures, 84 References. (Original abstract - amended)
•We present lidar system types and some considerations with regards to applications.•Current usage of lidar in forest ecology and productivity research is briefly reviewed.•Key issues for effective ...use of lidar in forest ecosystem science are identified.•Pathways for further promoting the role of lidar in advancing knowledge are suggested.
Forest structure is an important driver of ecosystem dynamics, including the exchange of carbon, water and energy between canopies and the atmosphere. Structural descriptors are also used in numerous studies of ecological processes and ecosystem services. Over the last 20+ years, lidar technology has fundamentally changed the way we observe and describe forest structure, and it will continue to impact the ways in which we investigate and monitor the relations between forest structure and functions. Here we present the currently available lidar system types (ground, air, and space-based), we highlight opportunities and challenges associated with each system, as well as challenges associated with a wider use of lidar technology and wider availability of lidar derived products. We also suggest pathways for lidar to further contribute to addressing questions in forest ecosystem science and increase benefits to a wider community of researchers.
Theory suggests that neighborhood effects depend not only on where individuals live today, but also on where they lived in the past. Previous research, however, usually measures neighborhood context ...only once and does not account for length of residence, thereby understating the detrimental effects of long-term neighborhood disadvantage. This study investigates effects of duration of exposure to disadvantaged neighborhoods on high school graduation. It follows 4,154 children in the Panel Study of Income Dynamics, measuring neighborhood context once per year from age 1 to 17. The analysis overcomes the problem of dynamic neighborhood selection by adapting novel methods of causal inference for time-varying treatments. In contrast to previous analyses, these methods do not "control away" the effect of neighborhood context operating indirectly through time-varying characteristics of the family; thus, they capture the full impact of a lifetime of neighborhood disadvantage. We find that sustained exposure to disadvantaged neighborhoods has a severe impact on high school graduation that is considerably larger than effects reported in prior research. We estimate that growing up in the most (compared to the least) disadvantaged quintile of neighborhoods reduces the probability of graduation from 96 to 76 percent for black children, and from 95 to 87 percent for nonblack children.
Most theoretical perspectives on neighborhood effects on youth assume that neighborhood context serves as a source of socialization. The exact sources and processes underlying adolescent ...socialization in disadvantaged neighborhoods, however, are largely unspecified and unelaborated. This article proposes that cross-cohort socialization by older neighborhood peers is one source of socialization for adolescent boys. Data from the National Educational Longitudinal Survey suggest that adolescents in disadvantaged neighborhoods are more likely to spend time with older individuals. I analyze qualitative interview data from 60 adolescent boys in three neighborhoods in Boston to understand the causes and consequences of these interactions and relationships. Some of the strategies these adolescents employ to cope with violence in disadvantaged neighborhoods promote interaction with older peers, particularly those who are most disadvantaged. Furthermore, such interactions can expose adolescents to local, unconventional, or alternative cultural models.
This study focuses on the utilization of Fe3O4-boosted multiwalled carbon nanotubes (MWCNT) as a sustainable, easily recoverable and a robust catalyst in the glycolysis of PET. A maximum yield (100%) ...of bis(2-hydroxyethyl)terephthalate (BHET) was achieved using Fe3O4-boosted MWCNT, which was higher than any other catalyst used in PET glycolysis with regard to the BHET yield. The extraordinary performance of the prepared Fe3O4-boosted MWCNT is attributed to the synergetic effect induced by both magnetite and MWCNT in the catalytic glycolysis of PET. With regard to sustainability, the catalyst endures the glycolysis process conditions for at least eight sequential runs. The reaction mechanism of PET glycolysis using Fe3O4-boosted MWCNT has also been proposed.
When culture is invoked to understand the consequences of growing up in disadvantaged neighborhoods, the isolation of ghetto residents from mainstream institutions and mainstream culture is often ...emphasized. This article attempts to reorient current theorizing about the cultural context of disadvantaged neighborhoods, particularly when it comes to adolescent decision making and behavior. I argue that rather than being characterized by the dominance of "oppositional" or "ghetto-specific" cultures, disadvantaged neighborhoods are characterized by cultural heterogeneity: a wide array of competing and conflicting cultural models. I apply this conception to sexual behavior and romantic relationships among adolescents using survey data from Addhealth. Analyses show that disadvantaged neighborhoods exhibit greater heterogeneity in cultural frames and scripts and that, in more heterogeneous neighborhoods, adolescents' frames and scripts are poorly predictive of their actual behavior.
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