Liquid-phase hydrogenation of bio-refined succinic acid to 1,4-butanediol using bimetallic catalysts

open access articleDevelopment of a Crotalaria juncea based biorefinery produce large quantity of waste glycerol after trans-esterification of the juncea seeds. This glycerol, after purification, is used as a substrate for producing succinic acid on a microbial route. Hydrogenation of this bio-refined succinic acid is carried out under high pressure in order to produce 1,4- butanediol (BDO) using a batch slurry reactor with cobalt supported ruthenium bimetallic catalysts, synthesized inhouse. It is demonstrated that, using small amounts of ruthenium to cobalt increases the overall hydrogenation activity for the production of 1,4-butanediol. Hydrogenation reactions are carried out at various operating temperatures and pressures along with changes in the mixing ratios of ruthenium chloride and cobalt chloride hexahydrate, which are used to synthesize the catalyst. The Ru-Co bimetallic catalysts are characterized by XRD, FE-SEM and TGA. Concentrations of the hydrogenation product are analyzed using Gas chromatography-Mass spectrometry (GC-MS). Statistical analysis of the overall hydrogenation process is performed using a Box-Behnken Design (BBD)

Entanglement entropy of a quantum unbinding transition and entropy of DNA

Two significant consequences of quantum fluctuations are entanglement and criticality. Entangled states may not be critical but a critical state shows signatures of universality in entanglement. A surprising result found here is that the entanglement entropy may become arbitrarily large and negative near the dissociation of a bound pair of quantum particles. Although apparently counter-intuitive, it is shown to be consistent and essential for the phase transition, by mapping to a classical problem of DNA melting. We associate the entanglement entropy to a subextensive part of the entropy of DNA bubbles, which is responsible for melting. The absence of any extensivity requirement in time makes this negative entropy an inevitable consequence of quantum mechanics in continuum. Our results encompass quantum critical points and first-order transitions in general dimensions.Comment: v2: 6 pages, 3 figures (title modified, more details and figures added

TYPE II DNA: when the interfacial energy becomes negative

An important step in transcription of a DNA base sequence to a protein is the initiation from the exact starting point, called promoter region. We propose a physical mechanism for identification of the promoter region, which relies on a new classification of DNAs into two types, Type-I and Type-II, like superconductors, depending on the sign of the energy of the interface separating the zipped and the unzipped phases. This is determined by the energies of helical ordering and stretching over two independent length scales. The negative interfacial energy in Type II DNA leads to domains of helically ordered state separated by defect regions, or blobs, enclosed by the interfaces. The defect blobs, pinned by non-coding promoter regions, would be physically distinct from all other types of bubbles. We also show that the order of the melting transition under a force is different for Type I and Type II.Comment: 4 pages, 2 figures, Eq.(4) corrected in 4th versio

Genetic studies for flower yield and component traits in Chrysanthemum morifolium Ramat

Study on genetic variability, character association and path analysis was carried out with sixty chrysan-themum genotypes keeping in mind of their applicability in future crop improvement programmes. High phenotypic and genotypic coefficient of variation were found for the character such as number of flower per plant, number of branches per plant, number of primary branches, number of secondary branches, plant spread and plant height. High heritability coupled with high expected genetic advance was observed for number of flower per plant, number of secondary branches and branches per plant. In general, genotypic correlation coefficients were found to be higher than the phenotypic correlations for most of the characters. Number of flowers per plant showed highly positive significant correlation at both genotypic and phenotypic level with plant spread (0.977,0.974), number of primary branches (0.952,0,828), number of branches per plant (0.956, 0.950), number of flower per spray (0.932, 0.821) and number of secondary branches (0.770, 0.744). Path analysis revealed that plant spread, number of primary branch-es, number of flower per spray and number of branches per plant had highest positive and direct effects on number of flowers per plant at genotypic and phenotypic levels. Thus, the useful cultivars can be used as parents in hybridization programme to obtain admirable progenie

Genetic studies for flower yield and component traits in Chrysanthemum morifolium Ramat

Study on genetic variability, character association and path analysis was carried out with sixty chrysan-themum genotypes keeping in mind of their applicability in future crop improvement programmes. High phenotypic and genotypic coefficient of variation were found for the character such as number of flower per plant, number of branches per plant, number of primary branches, number of secondary branches, plant spread and plant height. High heritability coupled with high expected genetic advance was observed for number of flower per plant, number of secondary branches and branches per plant. In general, genotypic correlation coefficients were found to be higher than the phenotypic correlations for most of the characters. Number of flowers per plant showed highly positive significant correlation at both genotypic and phenotypic level with plant spread (0.977,0.974), number of primary branches (0.952,0,828), number of branches per plant (0.956, 0.950), number of flower per spray (0.932, 0.821) and number of secondary branches (0.770, 0.744). Path analysis revealed that plant spread, number of primary branch-es, number of flower per spray and number of branches per plant had highest positive and direct effects on number of flowers per plant at genotypic and phenotypic levels. Thus, the useful cultivars can be used as parents in hybridization programme to obtain admirable progenie

Reducing Computational Complexity of Quantum Correlations

We address the issue of reducing the resource required to compute information-theoretic quantum correlation measures like quantum discord and quantum work deficit in two qubits and higher dimensional systems. We show that determination of the quantum correlation measure is possible even if we utilize a restricted set of local measurements. We find that the determination allows us to obtain a closed form of quantum discord and quantum work deficit for several classes of states, with a low error. We show that the computational error caused by the constraint over the complete set of local measurements reduces fast with an increase in the size of the restricted set, implying usefulness of constrained optimization, especially with the increase of dimensions. We perform quantitative analysis to investigate how the error scales with the system size, taking into account a set of plausible constructions of the constrained set. Carrying out a comparative study, we show that the resource required to optimize quantum work deficit is usually higher than that required for quantum discord. We also demonstrate that minimization of quantum discord and quantum work deficit is easier in the case of two-qubit mixed states of fixed ranks and with positive partial transpose in comparison to the corresponding states having non-positive partial transpose. Applying the methodology to quantum spin models, we show that the constrained optimization can be used with advantage in analyzing such systems in quantum information-theoretic language. For bound entangled states, we show that the error is significantly low when the measurements correspond to the spin observables along the three Cartesian coordinates, and thereby we obtain expressions of quantum discord and quantum work deficit for these bound entangled states.Comment: 19 pages, 14 figures, 3 table

Coulomb Interactions between Dipolar Quantum Fluctuations in van der Waals Bound Molecules and Materials

Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemical effects, especially if those interactions involve many fluctuating electrons over large spatial scales. Here, we identify and study in detail the Coulomb interaction between dipolar quantum fluctuations in the context of van der Waals complexes and materials. Up to now, the interaction arising from the modification of the electron density due to quantum van der Waals interactions was considered to be vanishingly small. We demonstrate that in supramolecular systems and for molecules embedded in nanostructures, such contributions can amount to up to 6 kJ/mol and can even lead to qualitative changes in the long-range vdW interaction. Taking into account these broad implications, we advocate for the systematic assessment of so-called Coulomb singles in large molecular systems and discuss their relevance for explaining several recent puzzling experimental observations of collective behavior in nanostructured materials

Static and dynamical quantum correlations in phases of an alternating field XY model

We investigate the static and dynamical patterns of entanglement in an anisotropic XY model with an alternating transverse magnetic field, which is equivalent to a two-component one-dimensional Fermi gas on a lattice, a system realizable with current technology. Apart from the antiferromagnetic and paramagnetic phases, the model possesses a dimer phase which is not present in the transverse XY model. At zero temperature, we find that the first derivative of bipartite entanglement can detect all the three phases. We analytically show that the model has a "factorization line" on the plane of system parameters, in which the zero temperature state is separable. Along with investigating the effect of temperature on entanglement in a phase plane, we also report a non-monotonic behavior of entanglement with respect to temperature in the anti-ferromagnetic and paramagnetic phases, which is surprisingly absent in the dimer phase. Since the time dynamics of entanglement in a realizable physical system plays an important role in quantum information processing tasks, the evolutions of entanglement at small as well as large time are examined. Consideration of large time behavior of entanglement helps us to prove that in this model, entanglement is always ergodic. We observe that other quantum correlation measures can qualitatively show similar features in zero and finite temperatures. However, unlike nearest-neighbor entanglement, the nearest-neighbor information theoretic measures can be both ergodic as well as non-ergodic, depending on the system parameters.Comment: 20 Pages, 13 Figures, 2 Tables, Published versio