Miracle-dz/UniFAR-FTUs huggingface dataset:
Crystal structure of 2-chloro-2-(chloromethyl)-5-(1-hydroxy-isopropyl)· cyclohexane-1-ol, C10H18Cl2O2

C10H18CI2O2, monoclinic, P12\\ (no. 4) , a = 7 . 9492(9 ) A, b = 7 . 8317(9) A, c = 9 . 632(1) k , ß = 98.275(8)° , V= 593 . 4 Ä 3 , 1 = 1, Rgt(F) = 0 . 041, wRKf(F2) = 0 . 127, Γ = 2 9 3 Κ. Source of material Aiming at the optimization of the oxidation of (-)-/J-pinene, in order to obtain oxidated ortfto-trujanes and products of oxidative clivage, several methods were tested. Among them, the reaction with KMnCWpyridine in aqueous solution was performed. During the neutralization of the base with HCl, the unexpected title compound was obtained and recrystallized from water [1]. Experimental details Due to the fact that the chirality of the starting material was known, to the low diffraction quality of the crystal and the low speed of measuring of the diffractometer, the data collection was restricted to the minimum necessary to get the crystal structure. Discussion The six-membered ring is in a slightly distorted chair conformation, the Cremer and Pople's [2] ring-puckering parameters being q2 = 0 . 040(5) Κψ = 0 . 5 5 1 ( 5 ) Κφ2 = 53(7)° , r 2 = 175.8(5)° and Q = 0 . 5584(5 ) A. The molecules are arranged via hydrogen bonds: <f(01 0 2 ' ) = 3 . 556(4) Ä, ^ ( H l O l C l l 1 ) = 2.81 Ä, Z.OI-HIOI—C12' = 148°; d( 0 1 0 2 " ) = 2 . 761(5) Ä, d ( H 1 0 1 0 2 u ) = 2 . 29 Ä, Z . O I H I O I — 0 2 " = 115°; d(02-01m) = 2.874(4) Ä, < / ( H 2 0 2 0 1 U l ) = 1.96 Ä, Z . 0 2 H 2 0 2 0 1 1 " = 152° (symmetry codes: i = 1 +x,yjr, ii = x,l +yjr, iii = Ι-χ,-Ά+γ, 1-z). Tabic I. Data collection and handling.
Mixed ionic liquid/organic carbonate electrolytes for LiNi0.8Co0.15Al0.05O2 electrodes at various temperatures

Mixtures of N-butyl-N-methyl pyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid (IL) and conventional organic carbonate electrolyte are used for high-capacity LiNi0.8Co0. 15Al0.05O2 (LNCA) electrodes in Li-ion batteries. Increasing the IL content ratio in the mixtures can increase the electrolyte's thermal stability and retard its flammability. However, the optimal electrolyte composition depends on the operating temperature. At 25 °C, the plain organic electrolyte is preferred due to its highest ionic conductivity among the tested electrolytes. This electrolyte is volatile at 50 °C, and thus the incorporation of 25 wt% IL can improve the cyclic stability of the LNCA electrode. The LNCA dissolution and electrolyte decomposition at 75 °C are clearly suppressed with a high IL ratio in the mixed electrolyte. At such a high temperature, with 75 wt% of IL incorporation a high electrode capacity of 195 mA h g−1 is obtained at 30 mA g−1; 50% of this capacity can be retained when the charge–discharge rate increases to 700 mA g−1. Moreover, less than 20% capacity decay is found after 100 cycles.
Effect of Coal Surface Wettability on Aggregation of Fine Coal Particles

Fine coal aggregation in concentrated coal-water suspensions was studied through steady-state rheological measurements. The wettability of coal particles was modified by dry oxidation of a bituminous coal. The degree of hydrophobicity was monitored using film flotation. The rheological measurements revealed that hydrophobic coal particles aggregate in aqueous suspensions over a wide pH range, and produce slurries with high yield stresses. As the degree of coal oxidation increases, the coal particles become more hydrophilic and such suspensions exhibit lower yield stress values. The yield stress values for suspensions prepared from oxidized/hydrophilic coal become a strong function of pH and correlate well with the surface charge as determined through electroacoustic measurements. For the suspensions prepared from the samples with intermediate degree of oxidation the effect of coal surface heterogeneity becomes very important. These results indicate that the coal particle aggregation, and thus the yield stress of aqueous suspensions of coal, is strongly affected by wettability of coal particles.
Molecular structure and ionic mechanisms of an ion-selective transmembrane channel: Monovalent versus divalent cation selectivity

The original proposed structure and transport mechanism of the Gramicidin A transmembrane channel are reviewed, as are the structural issues to be resolved in proving the structure in the membrane. The proposed structural elements of (1) the single-stranded β6. 33,3 helix, (2) the association of amino end to amino end by hydrogen bonding, and (3) the left-handed helix sense have been confirmed. Two binding sites related by twofold symmetry and separated by just over 20 A have been observed, and a free-energy profile for sodium ion permeation through the channel has been obtained. A comparison of 1-13C-L-tryptophanyl chemical shifts induced by sodium ions and by barium ions demonstrates the barium ion binding to the mouth of the channel with a location displaced toward the aqueous solution. With the nuclear magnetic resonance observed rapid exchange between the barium ion binding site and the solution it is concluded that the central barrier, due to the positive image force of the lipid surrounding the channel, prevents divalent ion permeability.
Linear Collaborative Discriminant Regression and Cepstra Features for Hindi Speech Recognition

Speech recognition system is one of the signi ﬁ cant, yet challenging systems in computer-human interaction. Recognizing Indian languages, especially Hindi, faces many practical dif ﬁ culties due to its wide grammatical and phonetic features from English. This paper focuses on Hindi speech recognition system for which Cepstra features and linear collaborative discriminant regression (LCDR) model are proposed for feature analysis and recognition. For de ﬁ nite audio signals, two models of test speech signals are synthesized and experimental investigations are carried out. The performance of the LCDR methods is analysed using Type I and II error functions and compared with the existing methods such as NN 2 -cepstra and SVM 2 -cepstra. Moreover, the best, worst, mean, median, and standard deviation are used for the statistical prediction and the proposed LCDR method is proved as the superior method for recognising Hindi speech.
A new biased Monte-Carlo method for computing coefficients of the bridge functions of liquids

We describe an efficient biased Monte-Carlo method for calculating the diagrams appearing in the coefficients of the so-called bridge function of the integral equation theory of liquids. These diagrams represent multi-dimensional integrals of products of ‘bond’ functions of the intermolecular distances. The method rests on the generation of independent Markov chains and is well adapted to highly parallel computation. It can be used for systems with any pair potential. The feasibility and efficiency of the method are demonstrated for the second and third order coefficients of the bridge functions of fluids of hard and Lennard-Jones spheres. For these systems there are analytical expressions of the bridge function deduced from computer simulations to which we compare our bridge function approximations which include the second and third order coefficients with h as the bond function. Our new approximations of the bridge function are used in the closure of the Ornstein-Zernike relation. The obtained structura.
A green Li-organic battery working as a fuel cell in case of emergency

The routine access to electricity always means a drastic change in terms of quality of life making it easier and safer. Consequently, the global electric demand both on and off-the-grid is growing and calls for ongoing innovation to promote reliable, clean and safe power supplies. In this context, the development of new chemistries for batteries and fuel cells could play a critical role. From our prospects aiming at fostering the concept of sustainable organic batteries, we report in this article on the peculiar properties of dilithium (2,5-dilithium-oxy)-terephthalate salt, a novel redox-active material. Based on an oriented retrosynthetic analysis, we have succeeded in elaborating this organic electrode material through an original and low-polluting synthesis scheme, which includes both chemical and biochemical CO2 sequestration in conjunction with a closed-loop solution for recycling products. Beyond its remarkable electrochemical performance vs. Li, especially as a lithiated cathode material, this compound behaves also like an oxygen scavenger. This dual electrochemical/chemical reactivity makes the self-recharging of a Li cell based on this organic salt possible by opening it to air ensuring an electrical power reserve when a conventional electrical recharge is not possible. In such a case, the pristine rechargeable Li–organic battery operates as a sort of “Li/O2 fuel cell”.
Molecular weight distribution in free radical polymerization with long‐chain branching

A new theory to predict the molecular weight distribution in free radical polymerization that includes chain transfer to polymer is proposed. This theory is based on the branching density distribution of the primary polymer molecules. The branching density distribution provides the information on how each chain is connected to other chains, and therefore, a full molecular weight distribution can be calculated by application of the Monte Carlo simulation. The present theory accounts for the history of the generated branched structure and can be applied to various reaction systems that involve branching and crosslinking regardless of the reactor types used. The present simulation confirmed the validity of the method of moments in a batch polymerization proposed earlier. It was shown clearly why gelation never occurs by chain transfer to polymer without the assistance of other interlinking reaction such as bimolecular termination by combination. © 1993 John Wiley & Sons, Inc.
DECONTAMINATION OF SYNTHETIC WASTEWATER CONTAINING PHARMACEUTICAL CONTAMINANTS BY ANODIC OXIDATION WITH BORON- DOPED DIAMNOND (BDD) ELECTRODE

Tetracycline (TC) are used as bacteriostatic agents, inhibits the synthesis of bacterial proteins, with activity against a wide variety of organisms with application in human and veterinary medicine. The presence of TC in the environment constitutes a serious problem, being weakly metabolized or absorbed into the human or animal body con. TC residues even in low concentration may produce serious toxic and other effects on humans and living organism. In this study are presented the applications of electrochemical advanced oxidation processes (EAOPs) for degradation of TC using de BDD electrode. The influence of experimental parameters (COD, TOC, nitrogen (total Kjeldhal, organic and inorganic), HPLC and UV-Vis spectrophotometry) on electrochemical degradation is evaluated. A pseudo-first kinetic order is obtained for electrochemical reactions with BDD. Model TC solutions is used and different experimental conditions, namely, initial concentration, initial pH, applied current density, type and concentration of the electrolyte, is also tested. To study the influence of the experimental conditions on the degradation of the antibiotic, assays was been running at experimental conditions that allow kinetic and/or diffusive control, in order to determine medium mass transfer coefficients that help to predict degradation rates at experimental conditions other than those tested.
Hemmstoffe von Beta‐Adrenozeptoren: Gemeinsamkeiten und Unterschiede

Nach den bisher vorliegenden Studien kommen zusatzlichen Effekten der β-Blocker (z.B. β1-Selektivitat, zusatzliche α1-blockierende Wirkung) haufig eine untergeordnete Bedeutung zu. So konnten lebensbedrohliche, ventrikulare Arrhythmien (Kammerflimmern) bei Post-Infarkt-Patienten, die einen nicht-selektiven β-Blocker erhielten, deutlich besser vorgebeugt werden, als bei jenen, die mit einem β1-selektiven β-Blocker therapiert wurden. Auffallig ist auch, dass positive Effekte bezuglich der Prognoseverbesserung bei chronischer Herzinsuffizienz bisher nur fur β-Blocker ohne partial-agonistische Aktivitat und fur lipophile Verbindungen nachzuwei-sen waren. Als eine mogliche Erklarung wird eine fehlende Penetration der Blut/Hirn-Schranke hydrophiler β-Blocker angefuhrt, da zur antifibrillatorischen Wirkung von β-Blockern insbesondere die Dampfung zentraler sympathischer Impulse beitragt. Es bleibt anzumerken, dass die β-Blocker-Therapie bei der Herzinsuffizienz keine Heilung der Erkrankung bedeutet, wohl aber die Prognose vieler Patienten nachhaltig positiv beeinflussen kann. βBlocker sind heute ein fester Evidenz-basierter Bestandteil zahlreicher Behandlungen.
Hydration Effects on the Viscoelastic Properties of Collagen

The manner in which liquid interacts with collagen is unclear, with changes in hydration presenting ambiguity. At present, elastic modulus values for collagen quoted range from MPa to GPa. Dynamic mechanical analysis (DMA) of collagen in isolation provides an insight into the mechanical changes due to altered hydration states. Changes in the viscoelastic properties of collagen were examined as the material was systematically dehydrated in a series of water:solvent mixes to examine effects of dehydration. The effect of solvents with varying polarity was also examined. Tails from 11-week old wild type mice were used. Mouse tail is a tissue with a well-defined, hierarchical organization of type I collagen. The viscoelastic response of collagen was measured using dynamic mechanical analysis (DMA) in fiber extension mode over the frequency range of 1Hz to 10Hz. Samples were sequentially dehydrated in a series of solvent concentrations: 70% ethanol to 100% ethanol to 100% acetone and 70% ethanol to 70% methanol to 100% methanol for at least 1h. Selectively removing and then replacing water from collagen samples provides insight into the role of water in the ultrastructure of the tissue from the corresponding changes in the experimentally determined elastic modulus and viscous energy.
Summarizing Microblogging Users with Existing Well-defined Hashtags

The rapid increasing popularity of microblogging has made it an important information seeking platform, and the typical way for a user to get useful information is by following those whose tweet content can draw interest. However, it is not practical to read all the tweets in order to decide whether to follow a user or not. Therefore, a brief and effective user description method is required, which is the focus of this paper. We design a model to automatically detect the most representative hashtags of a microblogging user, with which s/he can be easily known by others. The experimental results on Sina-Weibo, one of the most popular micro-blogging sites in China, show that our model can achieve a better performance than several baseline methods.
Carbonic anhydrase adsorption in porous silicon studied with infrared ellipsometry

The refractive index N = n + ik of the protein bovine carbonic anhydrase (BCA) adsorbed in porous silicon layers is determined using infrared spectroscopic ellipsometry. Five absorption bands in the amide region are resolved. The distribution of the protein inside the porous matrix is modelled and it is found that more BCA per internal surface area are adsorbed in the upper part of the porous layer than in the bottom part. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
MODELING AND DESIGN METHOD FOR INTERNAL HEAT-INTEGRATED PACKED DISTILLATION COLUMN

A mathematic model for an internal heat-integrated packed distillation column (IHIPAC) is developed on the basis of interphase mass transfer theory. A new method for design of an IHIPAC is proposed using the newly developed model. The binary system of methanol-water is adopted for the simulation work. The results show that an IHIPAC can be operated at a reflux ratio smaller than the minimum reflux ratio of a conventional distillation column, and that an energy saving of approximate 30% can be achieved under various operating conditions.
CROSS-LINKED MACROPOROUS POLYMERS AND COPOLYMERS, THEIR SYNTHESIS AND CHARACTERIZATION

In this work the synthesis of porous poly(methyl methacrylate) PMMA was carried out by polymerization in the suspension, while the synthesis of porous poly(methyl methacrylate-co-acrylamide) PMMA-AA copolymer was carried out by polymerization in the emulsion. Both types of polymerization were carried out in the presence of inert compounds. The morphology of the created pores was determined by SEM microscopy. The pore volume and specific sur face of porous polymers were determined by mercury porosimetry. The pore volume was in the range from 0.03 to 0.64 cm 3 per gram of PMMA and 3.25 cm 3 per gram of PMMA-AA. The specific surface was from 9 to 17 m 2 per gram of PMMA and 22.7 m 2 per gram of PMMA-AA. The amount of residual monomers decreased for about 10 times in polymers and copolymers after boiling in water. Enzyme α-amylase was immobilized 22.9 mg per gram of the polymer on the PMMA surface and 26.4 mg of the enzyme per gram of the polymer on PMMAAA. The hydrolysis rate of starch using the immobilized enzyme is 0.394 mg of starch/min·g of PMMA polymer and 0.507 mg starch/min·g of PMMA-AA copolymer.
Root to shoot translocation of macronutrients in relation to shoot demand in maize (Zea mays L.) grown at different root zone temperatures

Root growth and nutrient uptake rates of maize (Zea mays L.) are decreased at low root zone temperatures (RZT) and thus, shoot growth may be limited by nutrient deficiency. The objectives of this research were to characterize the shoot demand for nutrients per unit root at suboptimal RZT and to relate net translocation rates of N, P, K, and Ca from the roots to the shoot to shoot demand. Maize plants were grown for 11 days in soil or 8 days in nutrient solution at uniform shoot (24°/20°C, day/night) but different RZT (12°, 18°, and 24°C). The shoot base of the plants (apical shoot meristem and zone of leaf extension) was either kept within or above the cooled root zone. Shoot and root growth were significantly reduced at suboptimal RZT (12°, 18°). Lifting the shoot base above the cooling zone increased shoot growth markedly, whereas root growth was not significantly influenced. Thus, the shoot fresh weight increment day−1 g−1 root fresh weight (i.e. the shoot demand per unit root) was increased by a factor of up to 9 for plants with their shoot base above as compared to within the cooling zone. At suboptimal RZT, translocation rates of N, K, and Ca to the shoot remained low in plants with the shoot base in the cooling zone but were higher than in 24°C-grown plants, when the shoot base was above the cooling zone. In both nutrient solution- and soil-grown plants translocation rates of N, K, and Ca were closely correlated with the shoot demand per unit root but less to RZT. In contrast, the translocation rate of P was mainly affected by RZT but insensitive to shoot demand and, therefore, was always higher at a RZT of 24° than of 12°C. From these results it is suggested, that at low RZT the root-to-shoot translocation rates of N, K, and Ca are mainly determined by the shoot demand, whereas the translocation rate of P, regardless of the shoot demand, is reduced by a direct effect of low temperature on the roots.
Sintering of Zinc Oxide Doped with Antimony Oxide and Bismuth Oxide

The phase change, densification, and microstructure development of ZnO doped with both Bi2O3 and Sb2O3 are studied to better understand the sintering behavior of ZnO varistors. The densification behavior is related to the formation of pyrochlore and liquid phases; the densification is retarded by the former and promoted by the latter. The pyrochlore phase, whose composition is Bi3/2ZnSb3/2O7, appears below 700°C. The formation temperature of the liquid phase depends on the Sb/Bi ratio: about 750°C for Sb/Bi 1 by the reaction of the pyrochlore phase with ZnO. Hence, the densification rate is determined virtually by the Sb/Bi ratio and not by the total amount of additives. The microstructure depends on the sintering temperature. Sintering at 1000°C forms intragrain pyrochlore particles in ZnO grains as well as intergranular layers, but the intragrain particles disappear at 1200°C by the increased amount of liquid phase, which enhances the mobility of the solid second phase.
Reflections About Chance in My Career, and on the Top-Down Regulated World

Paraphrasing Pasteur, in scientific work Fortuna favors only the prepared mind. This is illustrated by my career after an incidental escape from the former German East Prussia just ahead of the Red Army, my switch in Kiel from zoology to oceanography, and my learning of a vacancy in Seattle. Treated here are the accidental discovery of upwelling during the southwest monsoon along India’s west coast, studies of benthic polychaetous annelids in the Oregonian zoogeographic province, the discovery of phytoplankton blooms and an absence of upwelling during the northeast monsoon in the northern Arabian Sea, and an ocean-wide description of the seasonality of satellite-derived chlorophyll. My admonition is that grazing rather than cell division rate regulates the abundance and size composition of phytoplankton and affects the dynamics of the understudied zooplankton. I end with a pessimistic view about predicting the vertical flux of particulate organic matter from the euphotic layer with an accuracy useful for deep-sea carbon budgets. 1 A nn u. R ev . M ar . S ci . 2 01 3. 5: 119 . D ow nl oa de d fr om w w w . a nn ua lr ev ie w s. or g A cc es s pr ov id ed b y 26 01 :6 02 :8 b8 0: 1a b1 :e d8 c: 94 73 :4 d4 1: 94 b1 o n 11 /1 6/ 20 . F or p er so na l u se o nl y. MA05CH01-Banse ARI 9 November 2012 11:51
Antidiabetic Activity of The Methanolic Extract from Betula alnoides Buch-Ham. ex G. Don

Antidiabetic activity of 80% methanolic extract from Betula alnoides were examined. The aqueous methanolic extract exhibited the inhibition of α-glucosidase activity, sucrase and maltase activities, with IC50 values of 26.5 and 5.4 µg/ml, respectively. A standard αglucosidase inhibitor, acarbose also showed very potent inhibition of an enzymes, sucrase and maltase with IC50 values of 1.0 and 1.1 µg/ml, respectively. Furthermore, the extract (100-400 mg/kg, p.o.) significantly inhibited the increase of serum glucose levels in rats after oral administration of 20% sucrose at 30 and 60 min. Similarity, a standard acarbose (5-10 mg/kg, p.o.) also significantly inhibited the increase of blood glucose levels in sucrose-loaded rats at 30 and 60 min. These results indicate that Betula alnoides may benefit in the treatment of diabetes mellitus as α-glucosidase inhibitory activity and lowering of the blood glucose levels.
On the nucleation of recrystallization by a bulging mechanism: A two-dimensional vertex simulation

Abstract The nucleation of grains by subgrain growth has been investigated using a two-dimensional vertex model. The initial geometry has an on average flat grain boundary, separating two populations of subgrains. The phenomenon has been studied using (i) a constant ratio between the subgrain and the grain boundary mobility or energy and (ii) simple relations for the misorientation dependencies of these two quantities. Bulging of grain boundaries owing to subgrain growth at topologically favoured sites has been observed. A subgrain size gradient at the grain boundary reduces the bulging frequency and leads to a general drift of the grain boundary.