11 research outputs found
Opini Komunitas Warga Sekitar Tentang Maraknya Pedagang Kaki Lima (PKL) (Studi Deskriptif Analitis Tentang Opini Komunitas Warga Sekitar Pkl ā Tamansari, Kepatihan, dan Dalem Kaum ā Kota Bandung)
Penelitian dengan judul āOpini komunitas warga sekitar tentang maraknya Pedagang Kaki Lima (PKL)ā ini, dilakukan oleh pengajar/dosen tetap Fakultas Ilmu Komunikasi (FIK). Permasalahan penelitian adalah tentang bagaimana opini komunitas warga sekitar PKL mengenai keamanan, ketertiban, ketenangan, Kenyamanan, keindahan, kebersihan, dan keramah-tamahan (7āKā) akibat maraknya PKL. Sasaran strategis dalam penelitian ini adalah komunitas warga di sekitar lingkungan PKL Jalan Kepatihan, Dalem Kaum, dan Tamansari.Tujuan penelitian adalah untuk mengetahui, mengkaji, dan menganalisis faktor 7āKā yang dirasakan komunitas warga sekitar, akibat maraknya PKL, sehingga tanggapan yang diekspresikan mereka dapat menjadi masukan bagi Humas Pemerintah Kota Bandung dalam upaya mensosialisasikan kebijakan pemerintah tentang PKL khususnya dalam merumuskan konsep community relations berkaitan dengan 7 āKā yang dirasakan oleh komunitas warga sekitar terhadap maraknya PKL tersebut. Kesimpulan hasil penelitian ini adalah: pada umumnya opini komunitas warga sekitar terhadap maraknya PKL, dilihat dari faktor 7āKā sangatlah bervariasi di antara opini positif dan negatif, Dalam arti, untuk responden tertentu penilaiannya sangat relatif tergantung dari persepsi masing-masing dan atas dasar pengalaman masing-masing dengan para PKL tersebut. Dengan demikian tidak sepenuhnya berada pada kecenderungan tertentu yang bersifat negatif atau positif. Oleh karena itu dari opini tersebut selanjutnya dapat berkembang untuk diyakini tentang adanya kemungkinan di antara kedua belah pihak saling membina hubungan, dan pemerintah memfasilitasi hubungan tersebut dalam kebijakan-kebijakannya
Biradical Paradox Revisited Quantitatively: A Theoretical Model for Self-Associated Biradical Molecules as Antiferromagnetically Exchange Coupled Spin Chains in Solution
An ESR hyperfine splitting pattern of a biradical in solution depends on the magnitude of the intramolecular exchange interaction <i>J</i><sub>intra</sub> compared with the hyperfine coupling constant <i>A</i>. Some biradicals exhibit their hyperfine splitting patterns characteristic of a monoradical, even though their exchange interaction is strong enough, |<i>J</i><sub>intra</sub>| ā« |<i>A</i>|. The contradiction in ESR spectroscopy is known as ābiradical paradoxā, puzzling scientists for a long time. In this study, it is shown from ESR spectral simulations underlain by a theoretical model of a series of spin Hamiltonians that noncovalent aggregation of biradical molecules in solution leads to the appearance of paradoxical ESR spectra. Most of the spins in an aggregate of one dimension lose their contribution to the ESR spectra owing to intermolecular antiferromagnetic interactions <i>J</i><sub>inter</sub>, leaving two outermost spins ESR-active in the aggregate of one dimension. Paradoxical ESR spectra appear only when <i>J</i><sub>intra</sub> and <i>J</i><sub>inter</sub> fall within a particular range of the magnitudes which depends on the number of molecules in the aggregate
Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the SpināOrbit Term of Zero-Field Splitting Tensors
A quasi-restricted
orbital (QRO) approach for the calculation of
the spināorbit term of zero-field splitting tensors (<b>D</b><sup>SO</sup> tensors) by means of density functional theory
(DFT) importantly features in the fact that it is free from spin contamination
problems because it uses spin eigenfunctions for the zeroth order
wave functions. In 2011, however, Schmitt and co-workers pointed out
that in the originally proposed QRO working equation some possible
excitations were not included in their sum-over-states procedure, which
causes spurious <b>D</b><sup>SO</sup> contributions from closed-shell
subsystems located far from the magnetic molecule under study. We
have revisited the derivation of the QRO working equation and modified
it, making it include all possible types of excitations in the sum-over-states
procedure. We have found that the spurious <b>D</b><sup>SO</sup> contribution can be eliminated by taking into account contributions
from all possible types of singly excited configuration state functions.
We have also found that only the SOMOĀ(Ī±) ā SOMOĀ(Ī²)
excited configurations have nonzero contributions to the <b>D</b><sup>SO</sup> tensors as long as Ī± and Ī² spin orbitals
have the same spatial distributions and orbital energies. For the <b>D</b><sup>SO</sup> tensor calculations, by using a ground state
wave function free from spin contamination, we propose a natural orbital-based
PedersonāKhanna (NOB-PK) method, which utilizes the single
determinant wave function consisting of natural orbitals in conjunction
with the PedersonāKhanna (PK) type perturbation treatment.
Some relevant calculations revealed that the NOB-PK method can afford
more accurate <b>D</b><sup>SO</sup> tensors than the conventional
PK method as well as the QRO approach in Mn<sup>II</sup> complexes
and Re<sup>IV</sup>-based single molecule magnets
Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules
Quantum
computers are capable to efficiently perform full configuration
interaction (FCI) calculations of atoms and molecules by using the
quantum phase estimation (QPE) algorithm. Because the success probability
of the QPE depends on the overlap between approximate and exact wave
functions, efficient methods to prepare accurate initial guess wave
functions enough to have sufficiently large overlap with the exact
ones are highly desired. Here, we propose a quantum algorithm to construct
the wave function consisting of one configuration state function,
which is suitable for the initial guess wave function in QPE-based
FCI calculations of open-shell molecules, based on the addition theorem
of angular momentum. The proposed quantum algorithm enables us to
prepare the wave function consisting of an exponential number of Slater
determinants only by a polynomial number of quantum operations
An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals
We report the ferromagnetic ordering phenomena occurring in organic molecular crystals with structural chirality. Achiral radical <b>1</b> has been found to crystallize in two enantiomorphs with chiral space groups of <i>P</i>4<sub>3</sub> and <i>P</i>4<sub>1</sub>. The <i>P</i>4<sub>3</sub> form (<b>1L</b>) has left-handed stacking of the molecules, giving the helical chirality in a crystalline solid. In the other form of <i>P</i>4<sub>1</sub> (<b>1R</b>), the right-handed stacking corresponds to a mirror image of <b>1L</b>. Magnetic susceptibility measurements show that both the crystals undergo a ferromagnetic phase transition at <i>T</i><sub>C</sub> = 1.1 K. The ferromagnetic ordering has been confirmed by heat capacity measurements. The magnetic heat capacity exhibits a Ī»-shaped peak at <i>T</i><sub>C</sub> = 1.1 K with an entropy change of <i>R </i>ln 2, as expected for <i>S</i> = 1/2 spins. This is the first example of genuinely organic molecule-based ferromagnetism associated with the structural chirality based on the helical molecular packing in the crystalline solid
An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals
We report the ferromagnetic ordering phenomena occurring in organic molecular crystals with structural chirality. Achiral radical <b>1</b> has been found to crystallize in two enantiomorphs with chiral space groups of <i>P</i>4<sub>3</sub> and <i>P</i>4<sub>1</sub>. The <i>P</i>4<sub>3</sub> form (<b>1L</b>) has left-handed stacking of the molecules, giving the helical chirality in a crystalline solid. In the other form of <i>P</i>4<sub>1</sub> (<b>1R</b>), the right-handed stacking corresponds to a mirror image of <b>1L</b>. Magnetic susceptibility measurements show that both the crystals undergo a ferromagnetic phase transition at <i>T</i><sub>C</sub> = 1.1 K. The ferromagnetic ordering has been confirmed by heat capacity measurements. The magnetic heat capacity exhibits a Ī»-shaped peak at <i>T</i><sub>C</sub> = 1.1 K with an entropy change of <i>R </i>ln 2, as expected for <i>S</i> = 1/2 spins. This is the first example of genuinely organic molecule-based ferromagnetism associated with the structural chirality based on the helical molecular packing in the crystalline solid
ESR and <sup>1</sup>H-,<sup>19</sup>F-ENDOR/TRIPLE Study of Fluorinated Diphenylnitroxides as Synthetic Bus Spin-Qubit Radicals with Client Qubits in Solution
Electron and nuclear spins as quantum bits (qubits) have been the focus of current issues in quantum information science/technology and related fields. From the viewpoint of chemistry, synthetic spin qubits are emerging. Diphenylnitroxide (DPNO) and its novel fluorine-substituted radicals are characterized as synthetic electron bus spin-qubits by continuous-wave ESR and <sup>1</sup>H-,<sup>19</sup>F-ENDOR/TRIPLE spectroscopy in solution and by DFT calculations. The partially fluorinated DPNOs have been synthesized to illustrate that they are candidates for the synthetic bus spin-qubits with well-defined client qubits. The fluorinated DPNOs undergo spin delocalization, dominating the robust spin polarization in the Ļ-conjugation of phenyl rings, serving to increase the number of distinguishable client qubits from three to six
Fluoreno[2,3ā<i>b</i>]fluorene vs Indeno[2,1ā<i>b</i>]fluorene: Unusual Relationship between the Number of Ļ Electrons and Excitation Energy in <i>m</i>āQuinodimethane-Type Singlet Diradicaloids
The
dimesityl derivative of fluorenoĀ[2,3-<i>b</i>]Āfluorene
(<b>6b</b>) was synthesized and its structure and physical properties
were investigated to elucidate the effects of its enhanced open-shell
character, which was predicted theoretically in comparison with the
smaller congener indenoĀ[2,1-<i>b</i>]Āfluorene (<b>5b</b>). All structural and physical properties are in accordance with
the theoretical predictions and can be interpreted in terms of the
resonance contributors. The most remarkable spectroscopic property
is the larger excitation energy of 24Ļ-electron hydrocarbon <b>6b</b> than that of 20Ļ-electron system <b>5b</b> in
their lowest energy absorption bands of electronic spectra, a trend
that is contrary to the well-known feature for common, alternant aromatic
hydrocarbons. The theoretical basis of this unusual behavior was elucidated
on the basis of the balance between the diradical character, exchange
integral, and HOMOāLUMO gap and was confirmed by a complete-active-space
configurationāinteraction method with two electrons in two
orbitals for the corresponding parent hydrocarbons <b>5a</b> and <b>6a</b>
Preparation and Magnetic Properties of Metal-Complexes from <i>N</i>ā<i>t</i>āButylā<i>N</i>āoxidanyl-2-amino-(nitronyl nitroxide)
Metal
complexation reactions of <i>N</i>-<i>t</i>-butyl-<i>N</i>-oxidanyl-2-aminoĀ(nitronyl nitroxide) diradical (<b>1</b>) with MĀ(hfac)<sub>2</sub> (M: Mn or Cu) were investigated.
These reactions were found to be very sensitive to the type of metal
ion employed. Complex [MnĀ(hfac)<sub>2</sub>Ā·<b>1</b>],
consisting of MnĀ(hfac)<sub>2</sub> and diradical <b>1</b>, was
readily prepared by mixing the components. However, the reaction of
CuĀ(hfac)<sub>2</sub> with <b>1</b> or <i>N</i>-<i>t</i>-butyl-<i>N</i>-oxidanyl-2-aminoĀ(iminonitroxide)
diradical (<b>2</b>) involved the reduction of the diradical
to the <i>N</i>-<i>t</i>-butyl-<i>N</i>-oxidanide-2-aminoĀ(iminonitroxide) radical anion (<b>3</b>)
and finally produced the polymer-chain complex [Cu<sub>2</sub>(hfac)<sub>2</sub>Ā·<b>3</b><sub>2</sub>Ā·CuĀ(hfac)<sub>2</sub>]<sub><i>n</i></sub>. The structures of these complexes
were elucidated by X-ray analysis, and their magnetic properties were
investigated in detail. The temperature dependence of Ļ<sub>p</sub><i>T</i> (Ļ<sub>p</sub>: magnetic susceptibility)
for [MnĀ(hfac)<sub>2</sub>Ā·<b>1</b>] exhibited a strong
antiferromagnetic interaction (<i>H</i> = ā2<i>J<b>S</b></i><sub><b>1</b></sub>Ā·<i><b>S</b></i><sub><b>2</b></sub>, <i>J</i>/<i>k</i><sub>B</sub> = ā217 K) between the MnĀ(II) spin (<i>S</i> = 5/2) and the diradical <b>1</b> spin (<i>S</i> = 1). However, the Ļ<sub>p</sub><i>T</i>ā<i>T</i> plots for [Cu<sub>2</sub>(hfac)<sub>2</sub>Ā·<b>3</b><sub>2</sub>Ā·CuĀ(hfac)<sub>2</sub>]<sub><i>n</i></sub> indicated the presence of several magnetic interactions:
a large ferromagnetic interaction (<i>J</i>/<i>k</i><sub>B</sub> = 510 K) between iminonitroxide <b>3</b> and the
imino-coordinating CuĀ(II) atom, a moderately large ferromagnetic interaction
(<i>J</i>/<i>k</i><sub>B</sub> = 58 K) between
the iminonitroxide and (iminonitroxide oxygen)-coordinating CuĀ(hfac)<sub>2</sub>, and a weak antiferromagnetic interaction (<i>J</i>/<i>k</i><sub>B</sub> = ā1.4 K) between the two
CuĀ(hfac)-<b>3</b> moieties within a Cu<sub>2</sub>O<sub>2</sub> square
Additional file 4: Figure S4. of Rapid, precise quantification of bacterial cellular dimensions across a genomic-scale knockout library
Morphological analysis of the Keio collection reveals correlations between cell width and intracellular width variability. Contours from cells from each Keio deletion strain were extracted from images acquired from the NBRP repository and used to compute the mean width and width profile across each cell. For each cell, we then computed the standard deviation of the width profile divided by the mean width to obtain the intracellular width variability. White circles and error bars were obtained by binning strains by mean width; blue lines are the fit to binned averages. R is PearsonĆ¢ĀĀs correlation coefficient; p-value was computed with StudentĆ¢ĀĀs t-test. (PDF 111ĆĀ kb