A systems perspective to digital structures in molecular analysis

Within the last decade, the advance of miniaturization has opened the window to new systems that permit digital and molecular science to intersect, suggesting a new role for organic chemistry. Currently, fusion of molecules and electronic digits, as well as molecular-based digital structures, have expanded the conventional interpretation of the digit. This emergence has already generated new technological platforms with unique applications for molecular analysis and computation. We provide a brief overview of the conventional understanding of digital devices, examine the concept of molecular-based digits, and suggest new architectures by examining studies conducted on the compact discs. This analysis presents a perspective for the unique interaction of molecules and digits and the development of digital-based platforms for molecular analysis.     

Applications of Non-precious Transition Metal Oxide Nanoparticles in Electrochemistry

Non-precious transition metal oxide nanomaterials offer numerous opportunities for various cost-effective electrochemical applications. This review article features the design and advancement of such nanomaterials with unique features applied for the fabrication of electrochemical devices. Also, it discusses various new syntheses of transition metal oxide nanoparticles (TMO NPs) via multiple chemicophysical and biological procedures. Further, the novel appliances of the TMO NPs with varying sizes and morphologies are appraised. The advantages and challenges of a number of investigations on the TMO NPs towards electrochemical applications are addressed with their standpoint of cost-effectiveness, applicability, and the efficiency of the introduced nanostructures for the industrial applications.     

Ferric Perchlorate: An Efficient Reagent for Regio- and Stereoselective Alcoholysis and Hydrolysis of Epoxides

Regio- and stereoselective ring opening reaction of epoxides is achieved efficiently by aliphatic alcohols and water in the presence of catalytic amounts of ferric perchlorate.     

A note on the exterior centralizer

The notion of the exterior centralizer C_G^ù(x){C_G^{^\wedge}(x)} of an element x of a group G is introduced in the present paper in order to improve some known results on the non-abelian tensor product of two groups. We study the structure of G by looking at that of C_G^ù(x){C_G^{^\wedge}(x)} and we find some bounds for the Schur multiplier M(G) of G.     

p-Xylene-selective metal-organic frameworks: a case of topology-directed selectivity

Para-disubstituted alkylaromatics such as p-xylene are preferentially adsorbed from an isomer mixture on three isostructural metal-organic frameworks: MIL-125(Ti) ([Ti(8)O(8)(OH)(4)(BDC)(6)]), MIL-125(Ti)-NH(2) ([Ti(8)O(8)(OH)(4)(BDC-NH(2))(6)]), and CAU-1(Al)-NH(2) ([Al(8)(OH)(4)(OCH(3))(8)(BDC-NH(2))(6)]) (BDC = 1,4-benzenedicarboxylate). Their unique structure contains octahedral cages, which can separate molecules on the basis of differences in packing and interaction with the pore walls, as well as smaller tetrahedral cages, which are capable of separating molecules by molecular sieving. These experimental data are in line with predictions by molecular simulations. Additional adsorption and microcalorimetric experiments provide insight in the complementary role of the two cage types in providing the para selectivity.     

A Hexagonally Ordered Nanoporous Silica-Based Fiber Coating for SPME of Polycyclic Aromatic Hydrocarbons from Water Followed by GC�CMS

A highly porous fiber coating material was prepared and functionalized with 3-amino propyl triethoxysilane (APTES) on hexagonally ordered nanoporous silica (SBA-15). Applicability of this coating was assessed employing a laboratory made solid-phase microextraction (SPME) device and gas chromatography?Cmass spectrometry for the simultaneous sampling and determination of trace polycyclic aromatic hydrocarbons (PAHs) from aqueous sample solutions. A one at the time optimization strategy was applied to investigate and optimize important extraction parameters such as extraction temperature, extraction time, ionic strength and sonication time. In the optimum conditions, the relative standard deviations for deionized water, spiked with selected PAHs were between 3.3 and 7.7% (n = 3), and detection limits for the studied compounds were 4.2 and 26.1 pg mL^?1. No significant change was observed in the extraction efficiency of the new SPME fiber, over 50 extractions. The proposed method was successfully applied to the extraction and determination of PAHs in the waste water samples.     

Essential oil composition and antioxidant activity of different extracts of Nepeta betonicifolia C.A. Meyer and Nepeta saccharata Bunge

Aerial parts essential oil of Nepeta betonicifolia and N. saccharata were obtained by hydrodistillation and analysed by GC-FID and GC-MS. Thirty-three and eighteen components represented 97.9% and 98.2% of the total oils identified, respectively. Main compounds of the oil of N. betonicifolia were 4aα,7β,7aα-nepetalactone (42.0%), germacrene D (6.0%), triplal (5.2%), 1-nor-bourbonanone (4.0%) and 1,8-cineole (3.2%). The principal constituents of the essential oil of N. saccharata were found to be 4aβ,7α,7aβ-nepetalactone (66.9%), germacrene D (12.9%), sabinene (6.5%) and trans-caryophyllene (3.3%). The radical scavenging capacity (RSC) of methanol extracts and chloroform, butanol and water subfractions of aerial parts of N. betonicifolia and N. saccharata were evaluated by using DPPH, FRAP and ABTS assays. TPC of each extract was measured using Folin-Ciocalteau. The antioxidant activity of the butanolic subfractions of both plants was higher than other extracts examined.     

A note on the Schur multiplier of groups of prime power order

By a well-known result of Green (Proc R Soc A 237:574?C581, 1956) and the formal definition of Ellis and Wiegold (Bull Austral Math Soc 60:191?C196, 1999), there is an integer t, say corank(G), such that ${|\mathcal{M}(G)| = p^{\frac{1}{2}n(n-1)-t}}$ . In Niroomand (J Algebra 322:4479?C4482, 2009), the author showed for a non-abelian group G, corank(G)????log _p (|G|)?2 and classified the structure of all non-abelian p-groups of corank log _p (|G|)?2. In the present paper, we are interesting to characterize the structure of all p-groups of corank log _p (|G|)?1.     

Data-driven inverse optimization with imperfect information

In data-driven inverse optimization an observer aims to learn the preferences of an agent who solves a parametric optimization problem depending on an exogenous signal. Thus, the observer seeks the agent’s objective function that best explains a historical sequence of signals and corresponding optimal actions. We focus here on situations where the observer has imperfect information, that is, where the agent’s true objective function is not contained in the search space of candidate objectives, where the agent suffers from bounded rationality or implementation errors, or where the observed signal-response pairs are corrupted by measurement noise. We formalize this inverse optimization problem as a distributionally robust program minimizing the worst-case risk that the predicted decision (i.e., the decision implied by a particular candidate objective) differs from the agent’s actual response to a random signal. We show that our framework offers rigorous out-of-sample guarantees for different loss functions used to measure prediction errors and that the emerging inverse optimization problems can be exactly reformulated as (or safely approximated by) tractable convex programs when a new suboptimality loss function is used. We show through extensive numerical tests that the proposed distributionally robust approach to inverse optimization attains often better out-of-sample performance than the state-of-the-art approaches.