The Underlying Mechanism for Reduction Stability of Organic Electrolytes in Lithium Secondary Batteries

Many organic solvents have very desirable solution properties such as wide temperature range, high solubility of Li salts, and nonflammability, should be able but fail in reality to serve as...

Pyr1,xTFSI Ionic Liquids (x = 1–8): A Computational Chemistry Study

Pyrrolidinium-based (Pyr) ionic liquids are a very wide family of molecular species. Pyrrolidinium cations are electrochemically stable in a large potential interval and their molecular size hinders their transport properties. The corresponding ionic liquids with trifluoromethyl sulphonyl imide anions are excellent solvents for lithium/sodium salts and have been demonstrated as electrolytes in aprotic batteries with enhanced safety standards. In this study, the analysis of the physicochemical properties of a homologous series of pyrrolidinium-based ionic liquids with general formula Pyr1,xTFSI (x = 1–8) have been tackled by first principles calculations based on the density functional theory. The molecular structures of isolated ions and ion pairs have been predicted by electronic structure calculations at B3LYP level of theory in vacuum or in simulated solvents. Thermodynamic properties have been calculated to evaluate the ion pairs dissociation and oxidation/reduction stability. This is the first systematic computational analysis of this series of molecules with a specific focus on the impact of the length of the alkyl chain on the pyrrolidinium cation on the overall physicochemical properties of the ion pairs.

Site-Directed Spin Labeling of RNA with a Gem-Diethylisoindoline Spin Label: PELDOR, Relaxation, and Reduction Stability

Ribonucleic acid function is governed by its structure, dynamics, and interaction with other biomolecules and influenced by the local environment. Thus, methods are needed that enable one to study RNA under conditions as natural as possible, possibly within cells. Site-directed spin-labeling of RNA with nitroxides in combination with, for example, pulsed electron–electron double resonance (PELDOR or DEER) spectroscopy has been shown to provide such information. However, for in-cell measurements, the usually used gem-dimethyl nitroxides are less suited, because they are quickly reduced under in-cell conditions. In contrast, gem-diethyl nitroxides turned out to be more stable, but labeling protocols for binding these to RNA have been sparsely reported. Therefore, we describe here the bioconjugation of an azide functionalized gem-diethyl isoindoline nitroxide to RNA using a copper (I)-catalyzed azide–alkyne cycloaddition (“click”-chemistry). The labeling protocol provides high yields and site selectivity. The analysis of the orientation selective PELDOR data show that the gem-diethyl and gem-dimethyl labels adopt similar conformations. Interestingly, in deuterated buffer, both labels attached to RNA yield TM relaxation times that are considerably longer than observed for the same type of label attached to proteins, enabling PELDOR time windows of up to 20 microseconds. Together with the increased stability in reducing environments, this label is very promising for in-cell Electron Paramagnetic Resonance (EPR) studies.

Aqueous extraction of buckwheat hull and its functional application in eco-friendly dyeing for wool fabric

As a cheap and abundant agricultural byproduct, buckwheat hull is expected to be applied in many fields such as textile, biotechnology, and medicine. In this paper, the physicochemical properties of buckwheat hull extraction (BHE) and its dyeing abilities for wool fabric with different eco-friendly mordants and methods were studied. The theoretical process, colorfastness, and UV-protection properties of the dyed wool fabric with BHE were investigated. The results showed that BHE solution had good thermal and reduction stability. The dyeing process of BHE on wool was in accordance with the Langmuir model and had uniform monolayer adsorption. Wool fabrics dyed directly or through a mordanting process demonstrated good washing colorfastness and acceptable crocking- and light colorfastness. The dyed wool fabrics with KAl2+ and meta-mordanting showed excellent UV-protection as well as exceptional antibacterial activity against Escherichia coli. Therefore, BHE presents a novel alternative for some synthetic dyes that are applied in the textile industry.

BACK ANALYSIS OF THE RETAINING WALL AT JEMBER - BANYUWANGI ROAD KM 234+500

The retaining wall at Jember-Banyuwangi Road KM 234+500 consists of primer structure and secondary structure. The structure has a crack failure that the length is 2,5 m vertically. The back analysis is needed retaining wall stability and strength reduction stability. Methods used in stability calculations by Das method which calculate based on a failure of overturning, sliding, and bearing capacity, meanwhile strength reduction stability used by Plaxis program. The result stability calculations review Cross Section 1, 7, and 14 to check for overturning are 1,07 ; 1,29 ; 1,31 respectively, check for sliding are 0,87 ; 1,10 ; 1,16 respectively, check for bearing capacity failure are 6,64 ; 5,93 ; 6,83, check for strength reduction are 0,98 ; 0,99 ; 1,15 respectively. Dinding penahan tanah (DPT) di Jalan Raya Jember-Banyuwang KM 234+500 terdiri dari struktur utama dan struktur sekunder. Dinding penahan tanah tersebut mengalami kerusakan (crack) pada bagian atas struktur dengan panjang crack sepanjang 2,5 m secara vertikal. Diperlukan analisis balik stabilitas dinding penahan tanah dan pengurangan kekuatan untuk mengetahui penyebab kerusakan struktur DPT. Metode yang digunakan dalam perhitungan stabilitas tanah dengan metode Das yang meninjau cek terhadap guling, geser, dan kegagalan daya dukung, sedangkan stabilitas pengurangan kekuatan dengan program Plaxis. Hasil perhitungan stabilitas meninjau bagian struktur utama Cross Section 1, 7, 14 untuk cek terhadap guling masing-masing 1,07 ; 1,29 ; 1,31, cek terhadap geser masing-masing 0,87 ; 1,10 ; 1,16, cek terhadap kegagalan daya dukung masing-masing 6,64 ; 5,93 ; 6,83, cek terhadap pengurangan kekuatan 0,98 ; 0,99 ; 1,15.

COMMUNITY BASED HOME ENERGY MANAGEMENT SYSTEM

In a Smart Grid (SG) scenario, domestic consumers can gain cost reduction benefit by scheduling their Appliance Activation Time (AAT) towards the slots of low charge. Minimization in cost is essential in Home Energy Management Systems (HEMS) to induce consumers acceptance for power scheduling to accommodate for a Demand Response (DR) at peak hours. Despite the fact that many algorithms address the power scheduling for HEMS, community based optimization has not been the focus. This paper presents an algorithm that targets the minimization of energy costs of whole community while keeping a low Peak to Average Ratio (PAR) and smooth Power Usage Pattern (PUP). Objective of cost reduction is accomplished by finding most favorable AAT by Particle Swarm Optimization (PSO) in conjunction with Inclined Block Rate (IBR) approach and Circular Price Shift (CPS). Simulated numerical results demonstrate the effectiveness of CPS to assist the merger of PSO & IBR to enhance the reduction/stability of PAR and cost reduction.

Post-Reduction Stability of the Proximal Interphalangeal Joint after Dorsal Fracture Dislocation—A Cadaveric Study

Background: Proximal interphalangeal joint (PIPJ) dorsal fracture dislocations (DFD) are challenging injuries. Treatment aims to achieve stability of the PIPJ after reduction so that early motion can be initiated. We studied how increasing articular destruction would affect post reduction stability and investigate the amount of traction and PIPJ flexion needed to maintain the reduction. Methods: Increasing amounts (20%, 40% and 60%) of damage to the volar lip of the middle phalanx in cadaveric specimens were created to represent PIPJ DFD that were stable, of tenuous stability and frankly unstable. Traction forces and PIPJ flexion needed to maintain the reduction were then measured. Results: The PIPJ DFD with 20% damage were stable and did not subluxe while the one with 40% articular involvement was stable after reduction. For unstable the PIPJ with 60% involvement, the more the PIPJ was flexed, the less traction force was needed to hold the joint in reduction. For PIPJ flexion of 20 degrees, a minimum 4.4N of force is needed to maintain reduction while PIPJ flexion of 10 degrees required a minimum 5.0N of force. No amount of force could maintain PIPJ reduction if traction was performed in full extension. Conclusions: In our model, PIPJ DFD with less than 30% articular damage are stable while those with 30% to 50% of involvement have tenuous stability. For the unstable PIPJ DFD, traction obviates the need for excessive flexion of the PIPJ to maintain joint reduction. This information should be considered in treatment modalities for PIPJ DFD, as well in the design of external traction devices for the treatment of PIPJ DFD.