bluuebunny/crossref_metadata_2025_split huggingface dataset:
Groundwater Storage through Rain Water Harvesting (RWH)
Authors: Jebamalar Abraham , Ravikumar Govindasamy , Meiyappan Gangadharan 
Published: February 2012

AbstractGroundwater extraction is rampant in many developing countries and urban areas whereas the natural recharge is decreasing due to covering of Earth's surface for various developmental activities. This leads to declining levels of groundwater and deterioration in groundwater quality. Artificial recharge with rain water harvesting techniques offers an excellent scope to arrest this degradation. This paper presents a study that analyzes the influence of rain water harvesting (RWH) on groundwater storage and quality. Chennai City, India is selected as study area, as major RWH implementation has taken place during 2002–2003 due to Government legislation. Preliminary analysis of groundwater levels were done spatially and temporally. Groundwater table contours were drawn using the GIS software for pre‐ (1999–2000) and post‐RWH (2009–2010) periods. The groundwater levels follow a decreasing trend before implementation of RWH where as a positive increasing trend takes place after construction of RWH structures. “Groundwater Estimation Committee (GEC)” norms of Government of India were used to estimate the change in storage during pre‐ and post‐RWH periods, which are found to be 1.76 × 106 and 32.77 × 106 m3, respectively. The results show that the implementation of RWH has increased the groundwater storage considerably. Also, the influence of RWH on groundwater quality is found to be encouraging in some parts of the studied area.
A Novel Approach to the Simulation of Electrochemical Mechanisms Involving Acute Reaction Fronts at Disk and Band Microelectrodes
Authors: Klymenko Oleksiy V. , Svir Irina , Oleinick Alexander , Amatore Christian 
Published: February 2012

AbstractA new simulation algorithm is presented for describing the dynamics of diffusion reactions at the most common microelectrode 1D (planar, cylindrical, spherical) and 2D geometries (band, disk) for electrochemical mechanisms of any complexity and involving fast homogeneous reactions of any kind. A series of typical electrochemical mechanisms that create the most severe simulation difficulties is used to establish the exceptional performance and accuracy of this algorithm, which stem from the combination of (quasi)conformal transformation of space and a new method for auto‐adaptive grid compression.
The Peculiar Nature of Molecular Interactions between an Imidazolium Ionic Liquid and Acetone
Authors: Kiefer Johannes , Molina Marta Martinez , Noack Kristina 
Published: February 2012

AbstractWe present novel insights into the molecular interactions between polar solvents and imidazolium ionic liquids using the example of 1‐ethyl‐3‐methylimidazolium ethyl sulfate and acetone. Recently published volumetric property data of this particular system have revealed peculiarities which could not be fully explained by steric effects. In order to shed light on the behavior at a molecular level, we apply IR spectroscopy and analyze solvent‐induced line shifts as well as the excess IR spectra. From the spectroscopic results a conclusive picture of the site‐specific molecular interactions is developed and our explanation is in concert with the volumetric effects. The data suggest the initial formation of trimers in which acetone interacts with existing ion pairs through interactions of the acetone oxygen atom with the imidazolium ring rather than forming directed hydrogen bonds at the CH moieties. With further addition of acetone, tetramers are formed which significantly weaken the interionic interactions and eventually initiate ion pair dissociation. Once the ions are released, the anion is rapidly saturated with acetone while the cation solvation proceeds more slowly with acetone addition.
Evidence for Two‐Photon Absorption‐Induced ESIPT of Chromophores Containing Hydroxyl and Imino Groups
Authors: Gao Fang , Ye Xiaojuan , Li Hongru , Zhong Xiaolin , Wang Qi 
Published: February 2012

AbstractThis paper presents experimental and theoretical investigations into excited‐state intramolecular proton transfer (ESIPT) in new chromophores with hydroxyl and imino groups under one‐ and two‐photon excitation. The results show that internal hydrogen bonding exhibits a remarkable influence on the maximum absorption wavelength of 2‐[(4′‐N,N‐diethylaminodiphenylethylene‐4‐ylimino)methyl]phenol (C1) and 2‐[(4′‐methoxyl‐diphenylethylene‐4‐ylimino)methyl]phenol (C3). Compounds C1 and C3 exhibit well‐separated dual fluorescence emission bands under one‐ and two‐photon excitation. The second fluorescence peaks of C1 and C3 are characterized by much larger Stokes shift than the first normal peaks (ca. 140 vs. 30 nm). 4‐[(4′‐N,N‐Diethylaminodiphenylethylene‐4‐ylimino)methyl]phenol (C2) and 4‐[(4′‐methoxyldiphenylethylene‐4‐ylimino)methyl]phenol (C4) display single emission bands with small Stokes shifts (ca. 30 nm) in various solvents under one‐ and two‐photon excitation. Furthermore, the first emission maxima of C1 and C3 are almost identical to the maximum fluorescence emission wavelengths of C2 and C4, respectively. These results show that C1 and C3 can undergo ESIPT via a reasonable six‐membered ring, while there is no ESIPT in C2 and C4 under one‐ and two‐photon excitation. Compounds C1 and C2 have larger two‐photon absorption cross‐sections under various near‐infrared laser frequencies tuned from 700 to 880 nm. Molecular geometry optimization of the phototautomers (enol and keto) was performed to analyze the experimental results. The possibility of using these chromophores for metal ions as chemosensors of was thoroughly investigated. In DMF C3 exhibits excellent sensing responses to Zn2+ and Fe3+ ions through a greatly increased greatly and a largely reduced emission, respectively. In methanol disappearance of ESIPT emission with added Zn2+ ions confirms its existence. The binding constants of C3 with Zn2+ and Fe3+ ions in DMF are also estimated.
Analysis of tree‐based multicast routing in wireless sensor networks with varying network metrics
Authors: Bala Krishna M. , Doja M.N. 
Published: February 2012

SUMMARYWireless ad hoc and sensor networks are emerging with advances in electronic device technology, wireless communications and mobile computing with flexible and adaptable features. Routing protocols act as an interface between the lower and higher layers of the network protocol stack. Depending on the size of target nodes, routing techniques are classified into unicast, multicast and broadcast protocols. In this article, we give analysis and performance evaluation of tree‐based multicast routing in wireless sensor networks with varying network metrics. Geographic multicast routing (GMR) and its variations are used extensively in sensor networks. Multicast routing protocols considered in the analytical model are GMR, distributed GMR, demand scalable GMR, hierarchical GMR, destination clustering GMR and sink‐initiated GMR. Simulations are given with comparative analysis based on varying network metrics such as multicast group size, number of sink nodes, average multicast latency, number of clusters, packet delivery ratio, energy cost ratio and link failure rate. Analytical results indicate that wireless sensor network multicast routing protocols operate on the node structure (such as hierarchical, clustered, distributed, dense and sparse networks) and application specific parameters. Simulations indicate that hierarchical GMR is used for generic multicast applications and that destination clustering GMR and demand scalable GMR are used for distributed multicast applications. Copyright © 2012 John Wiley & Sons, Ltd.
Binuclear Copper Complexes and Their Catalytic Evaluation
Authors: Das Raj K. , Sarkar Mithun , Wahidur Rahaman S. M. , Doucet Henri , Bera Jitendra K. 
Published: February 2012

AbstractTwo binuclear copper complexes [{CuI(L1)}2][OTf]2 (1) and [{CuII(L2)Cl}2] (2) have been synthesized and structurally characterized. The reaction of [{(5,7‐dimethyl‐1,8‐naphthyridin‐2‐yl)amino}carbonyl]ferrocene (L1) with [Cu(CH3CN)4][OTf] in dichloromethane afforded complex 1 in high yield and the dicopper(II) complex 2 was obtained by the overnight treatment of N‐(5,7‐dimethyl‐1,8‐naphthyridin‐2‐yl)‐1‐methylpyrrolidine‐2‐carboxamide (L2H) with [Cu(CH3CN)4][BF4] in dichloromethane. The two copper atoms in complex 1 are bridged by two L1 ligands in a trans disposition; the naphthyridine nitrogen atoms bridge two copper centers and the carbonyl oxygen atoms occupy sites trans to the Cu···Cu vector. The metal···metal distance is 2.4594(6) Å. In contrast, in complex 2, each of the two L2 ligands bind to the two copper atoms through one naphthyridine nitrogen, a deprotonated amide, and a proline nitrogen atom to form an open‐book geometry. Both dicopper complexes have been shown to be excellent catalysts for the cyclopropanation of various olefins with ethyl diazoacetate (EDA), with catalyst 1 found to be marginally superior to 2.
Synthesis of Benzothiazoles through Copper‐Catalyzed One‐Pot Three‐Component Reactions with Use of Sodium Hydrosulfide as a Sulfur Surrogate
Authors: Park Namjin , Heo Yumi , Kumar Manian Rajesh , Kim Yong , Song Kwang Ho , Lee Sunwoo 
Published: February 2012

AbstractCopper‐catalyzed one‐pot three‐component reactions of 2‐iodoanilines, aldehydes, and NaSH·n H2O afford benzothiazoles in good yields. When CuCl was employed as a catalyst in the absence of a ligand, a variety of aromatic aldehydes and substituted 2‐iodoanilines reacted with NaSH·n H2O to produce the corresponding 2‐arylbenzothiazoles in 70–98 % yields. The copper catalyst plays a key role in C–S bond formation between NaSH·n H2O and the aryl iodide that was formed from the condensation of 2‐iodoaniline and aldehyde. It was found that NaSH·n H2O functions as a sulfur surrogate and oxidant in the formation of benzothiazole.
A joint recovery algorithm for distributed compressed sensing
Authors: Xu Wenbo , Lin Jiaru , Niu Kai , He Zhiqiang 
Published: February 2012

ABSTRACTDistributed compressed sensing exploits the correlation among multiple signals to reduce the number of measurements required for recovery. In this paper, we propose a recovery algorithm for a type of joint sparsity model, where all signals share a common sparse component and each individual signal contains a sparse innovation component. Our approach iteratively removes the information of each component from the measurements and then performs sparse recovery. We provide analytical analysis to verify the advantage of the proposed algorithm over separate recovery, which is also confirmed by simulation results. Copyright © 2012 John Wiley & Sons, Ltd.
Both inhibition and enhanced expression of miR‐31 lead to reduced migration and invasion of pancreatic cancer cells
Authors: Laurila Eeva M. , Sandström Saana , Rantanen Laura M. , Autio Reija , Kallioniemi Anne 
Published: February 2012

AbstractMicroRNAs (miRNAs) are short single‐stranded RNA molecules that have a critical role in the regulation of gene expression. Alterations in miRNA expression levels have been observed in multiple tumor types and there is clear evidence on their active involvement in cancer development. Here, a comprehensive miRNA expression profiling in 16 pancreatic cancer cell lines and four normal pancreatic samples provided a specific molecular signature for pancreatic cancer and enabled us to identify 72 differentially expressed miRNAs with approximately half of them being up‐ and half downregulated in cancer cells as compared with normal samples. Of these, miR‐31 was selected for further functional analyses based on its interesting “on‐off” type expression profile, i.e., very low or even absent expression in normal pancreas and in six of the pancreatic cancer samples but extremely high expression in the remaining 10 cell lines. Quite unexpectedly, both the inhibition of miR‐31 in AsPC‐1 and HPAF‐II pancreatic cancer cells with high endogenous expression and forced expression of miR‐31 in MIA PaCa‐2 with low endogenous levels led to reduced cell proliferation, migration, and invasion. More importantly, in AsPC‐1 cells further enhancement of miR‐31 also resulted in reduced cell migration and invasion, implicating that the level of miR‐31 is critical for these phenotypes. This study highlights a specific miRNA expression pattern in pancreatic cancer and reveals that manipulation of miR‐31 expression leads to reduced cell migration and invasion in pancreatic cancer. © 2012 Wiley Periodicals, Inc.
Design and Synthesis of Some Novel 2,3,4,5‐Tetrahydro‐1H‐pyrido[4,3‐b]indoles as Potential c‐Met Inhibitors
Authors: Ye Lianbao , Tian Yuanxin , Li Zhonghuang , Zhang Jiajie , Wu Shuguang 
Published: February 2012

AbstractSince deregulation of the tyrosine‐kinase receptor c‐Met is implicated in several human cancers and is an attractive target for small‐molecule‐drug discovery, we report herein the synthesis of 2,3,4,5‐tetrahydro‐8‐[1‐(quinolin‐6‐ylmethyl)‐1H‐1,2,3‐triazolo[4,5‐b]pyrazin‐6‐yl]‐1H‐pyrido[4,3‐b]indoles 4a–4c and 2,3,4,5‐tetrahydro‐8‐[3‐(quinolin‐6‐ylmethyl)‐1,2,4‐triazolo[4,3‐b]pyridazin‐6‐yl]‐1H‐pyrido[4,3‐b]indoles 5a–5c. These indole derivatives demonstrated inhibition of c‐Met kinase activity. Concurrently, five key intermediates were synthesized. These compounds could be prepared in good yields.
Isocyanide‐Based Three‐Component Synthesis of Highly Substituted 1,6‐Dihydro‐6,6‐dimethylpyrazine‐2,3‐dicarbonitrile, 3,4‐Dihydrobenzo[g]quinoxalin‐2‐amine, and 3,4‐Dihydro‐3,3‐dimethyl‐quinoxalin‐2‐amine Derivatives
Authors: Shaabani Ahmad , Hajishaabanha Fatemeh , Mofakham Hamid , Mahyari Mojtaba , Lali Bagher 
Published: February 2012

AbstractA novel and efficient isocyanide‐based multicomponent reaction between alkyl or aryl isocyanides 1, 2,3‐diaminomaleonitrile (2), naphthalene‐2,3‐diamines (6) or benzene‐1,2‐diamine (9), and 3‐oxopentanedioic acid (3) or Meldrum's acid (4) or ketones 7 was developed for the ecologic synthesis, at room temperature under mild conditions, of 1,6‐dihydropyrazine‐2,3‐dicarbonitriles 5a–5f in H2O without using any catalyst, and of 3,4‐dihydrobenzo[g]quinoxalin‐2‐amine and 3,4‐dihydro‐3,3‐dimethyl‐quinoxalin‐2‐amine derivatives 8a–8g and 10a–10e, respectively, in the presence of a catalytic amount of p‐toluenesulfonic acid (TsOH) in EtOH, in good to excellent yields (Scheme 1).
Three New ent‐Kaurane Diterpenoids from Siegesbeckia pubescens
Authors: Liu Jia , Feng Lin , Li Hai‐Dao , Dong Qing‐Li , Chen Rong 
Published: February 2012

AbstractThree new ent‐kaurane glucopyranosides, 2‐O‐[β‐D‐apiofuranosyl‐(1→3)‐2‐O‐isovaleryl‐β‐D‐glucopyranosyl]‐4‐epi‐atractyligenin (1), 2‐O‐[β‐D‐apiofuranosyl‐(1→3)‐2‐O‐isovaleryl‐β‐D‐glucopyranosyl]atractyligenin (2), and 2‐O‐[β‐D‐apiofuranosyl‐(1→3)‐2‐O‐(3‐methylpentanoyl)‐β‐D‐glucopyranosyl]‐4‐epi‐atractyligenin (3), along with 2‐O‐(2‐O‐isovaleryl‐β‐D‐glucopyranosyl)‐4‐epi‐atractyligenin (4), were isolated for the first time from the aerial parts of Siegesbeckia pubescens. The structures were established by extensive spectroscopic analyses including 1D‐ and 2D‐NMR (HSQC, HMBC, and ROESY), and HR‐ESI‐MS, and by comparison with published data.
Two New Pentacyclic Triterpenoids from Centella asiatica
Authors: Weng Xiao‐Xiang , Zhang Jing , Gao Wen , Cheng Liang , Shao Yan , Kong De‐Yun 
Published: February 2012

AbstractTwo new pentacyclic triterpenoids, named centelloside D (1) and centelloside E (9), together with the seven known compounds 2–8, were isolated from the whole plants of Centella asiatica. Compound 5 was reported for the first time from this genus. Their structures were elucidated on the basis of chemical and spectral analysis, including 1D‐ and 2D‐NMR, and HR‐MS experiments, and by comparison with literature data. Compounds 1–4, 6, and 8 did not show any cytotoxicity against L929 (mouse embryonic fibroblast).
Lignans from Phryma leptostachya L.
Authors: Chen Chunmei , Zhu Hucheng , Zhao De , Deng Jun 
Published: February 2012

AbstractThree new lignans, haedoxan J (1), phrymarolin III (2), and phrymarolin IV (3), as well as eight known lignans, leptostachyol acetate, haedoxan A, 1‐(4,6‐dimethoxy‐1,3‐benzodioxol‐5‐yl)dihydro‐4‐(6‐methoxy‐1,3‐benzodioxol‐5‐yl)‐1H,3H‐furo[3,4‐c]furan‐3a(4H)‐yl acetate, 4‐(4,6‐dimethoxy‐1,3‐benzodioxol‐5‐yl)dihydro‐1‐(4‐methoxy‐1,3‐benzodioxol‐5‐yl)‐1H,3H‐furo[3,4‐c]furan‐3a(4H)‐yl acetate, 4‐[(4,6‐dimethoxy‐1,3‐benzodioxol‐5‐yl)oxy]dihydro‐1‐(6‐methoxy‐1,3‐benzodioxol‐5‐yl)‐1H,3H‐furo[3,4‐c]furan‐3a(4H)‐yl acetate, leptostachyol acetate C, 4‐(4,6‐dimethoxy‐1,3‐benzodioxol‐5‐yl)dihydro‐1‐(6‐methoxy‐1,3‐benzodioxol‐5‐yl)‐1H,3H‐furo[3,4‐c]furan‐3a(4H)‐yl acetate, and phrymarin II, were isolated from the plant Phryma leptostachya L. The structures of the new compounds were elucidated by analyzing their spectroscopic data and comparing with data reported in the literature.
Triterpenoids from Melia toosendan
Authors: Dong Shi‐Hui , He Xiu‐Feng , Dong Lei , Wu Yan , Yue Jian‐Min 
Published: February 2012

AbstractEleven new triterpenoids, named mesendanins K–U (1–11, resp.), together with seven known analogs, were isolated from the leaves and twigs of Melia toosendan. Their structures were elucidated on the basis of extensive spectroscopic analysis.
Counselor Educator Nonverbal Behavior in the Supervision Process
Authors: WILBUR MICHAEL P. , WILBUR JANICE ROBERTS 
Published: February 2012

Sixteen counselor educators and counselors‐in‐training participated in a content analysis study that investigated supervisors' nonverbal behaviors in the supervision process.The investigation displays the high‐to‐low frequency of 21 identified nonverbal behaviors of supervisors and indicates a statistically significant association and consistency among the supervisors' nonverbal behaviors. It implies the applicability of these behaviors to counselor supervision and training, provides a methodological approach for the further investigation of nonverbal behavior in actual supervision and counseling situations, and suggests that counselor educators should not overlook these variables in systematic research or their influence in the supervision process with novice counselors.
Use of the General Aptitude Test Battery to Predict Success on the Tests of General Educational Development
Authors: COVINGTON JANET B. , TRIMMER HARVEY W. , KLEIN FREDA 
Published: February 2012

An increasing trend in recent years has been the desirability of a high school diploma either as an entrance qualification of employment or as a by‐product of a training program. As a result of this trend, the tests of General Educational Development (GED) are, in many states, being seen as an alternative for many individuals who have neither the time nor the inclination to reenter high school or other formal educational programs to obtain a high school diploma or its equivalent.The purpose of this article is to examine data from the General Aptitude Test Battery (GATB) in an attempt to use that battery, or more appropriately, subtests of that battery to predict passage of the GED examination. Data were collected and analyzed from four different geographically diffuse states for both comparative and predictive capabilitites. It is concluded that the G and V scores on these subtests of the GATB (at 110 or greater on either of these aptitudes) indicate almost definite prediction for passage of the GED.
Simultaneous multi‐site two‐photon photostimulation in three dimensions
Authors: Go Mary Ann , Stricker Christian , Redman Stephen , Bachor Hans‐A. , Daria Vincent Ricardo 
Published: February 2012

AbstractWe demonstrate simultaneous multi‐site two‐photon photolysis of caged neurotransmitters with close to diffraction‐limited resolution in all three dimensions (3D). We use holographic projection of multiple focal spots, which allows full control over the 3D positions of uncaging sites with a high degree of localized excitation. Our system incorporates a two‐photon imaging setup to visualize the 3D morphology of the neurons in order to accurately determine the photostimulation sites. We show its application to studies of synaptic integration by performing simultaneous and controlled glutamate delivery at multiple locations on dendritic trees. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
An automated approach for the parameterization of accurate intermolecular force‐fields: Pyridine as a case study
Authors: Cacelli Ivo , Cimoli Antonella , Livotto Paolo Roberto , Prampolini Giacomo 
Published: February 2012

AbstractAn automated protocol is proposed and validated, which integrates accurate quantum mechanical calculations with classical numerical simulations. Intermolecular force fields, (FF) suitable for molecular dynamics (MD) and Monte Carlo simulations, are parameterized through a novel iterative approach, fully based on quantum mechanical data, which has been automated and coded into the PICKY software, here presented. The whole procedure is tested and validated for pyridine, whose bulk phase, described through MD simulations performed with the specifically parameterized FF, is characterized by computing several of its thermodynamic, structural, and transport properties, comparing them with their experimental counterparts. © 2011 Wiley Periodicals, Inc.
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions
Authors: Koukaras Emmanuel N. , Zdetsis Aristides D. , Karamanis Panaghiotis , Pouchan Claude , Avramopoulos Aggelos , Papadopoulos Manthos G. 
Published: February 2012

AbstractIt is shown by density functional theory calculations that high symmetry silicon cages can be designed by coating with Li atoms. The resulting highly symmetric lithiated silicon cages (up to D5d symmetry) are low‐lying true minima of the energy hypersurface with binding energies of the order of 4.6 eV per Si atom and moderate highest occupied molecular orbital–lowest unoccupied molecular orbital gaps. Moreover, relying on a systematic study of the electric response properties obtained by ab initio (Hartree–Fock, MP2, and configuration interaction singles (CIS)) and density functional (B3LYP, B2PLYP, and CAM‐B3LYP) methods, it is shown that lithium coating has a large impact on the magnitude of their second hyperpolarizabilities resulting to highly hyperpolarizable species. Such hyperpolarizable character is directly connected to the increase in the density of the low‐lying excited states triggered by the interaction between the Si cage and the surrounding Li atoms. © 2012 Wiley Periodicals, Inc.
Recent developments of the meshless radial point interpolation method for time‐domain electromagnetics
Authors: Kaufmann T. , Yu Y. , Engström C. , Chen Z. , Fumeaux C. 
Published: February 2012

SUMMARYMeshless methods are a promising new field in computational electromagnetics. Instead of relying on an explicit mesh topology, a numerical solution is computed on an unstructured set of collocation nodes. This allows to model fine geometrical details with high accuracy and facilitates the adaptation of node distributions for optimization or refinement purposes. The radial point interpolation method (RPIM) is a meshless method based on radial basis functions. In this paper, the current state of the RPIM in electromagnetics is reviewed. The localized RPIM scheme is summarized, and the interpolation accuracy is discussed in dependence of important parameters. A time‐domain implementation is presented, and important time iteration aspects are reviewed. New formulations for perfectly matched layers and waveguide ports are introduced. An unconditionally stable RPIM scheme is summarized, and its advantages for hybridization with the classical RPIM scheme are discussed in a practical example. The capabilities of an adaptive time‐domain refinement strategy based on the experiences on a frequency‐domain solver are discussed. Copyright © 2012 John Wiley & Sons, Ltd.