bluuebunny/crossref_metadata_2025 huggingface dataset:
Growth and Yield of Mustard (Brassica juncea L.) Influenced by Different Varieties and Spacing
Authors: Kumar Mukesh , Tiwari Dhananjay , Kumar Rahul
Published: February 2024

A field experiment was conducted at Agricultural Research Farm, Narayan Institute of Agricultural Sciences, Gopal Narayan Singh University, Jamuhar, Sasaram, Rohtas, (Bihar) during the rabi (winter) season of 2022-2023 to access the effect of different varieties and spacing on growth and yield of mustard. Treatment consisted of three varieties RH- 404, DRMR-1165-40 and NRCM-101 and three spacing viz. 30×10 cm, 40×10 cm and 50×10 cm. Experiment was conducted under randomized block design with three replications. The result showed that growth viz. plant height, dry weight and yield attributes viz, number of siliqua/plant, length of siliqua (cm), test weight, grain yield (kg/ha) and harvest index (%) and yield were significantly affected due to different treatment combination. The maximum plant height (179.60 cm), dry weight (38.49 g/plant) at harvest, number of siliqua (395.33/plant), length of siliqua (6.54 cm), test weight (6.50 g), grain yield (2286.67 Kg/ha) and harvest index (34.80 %) was recorded in treatment combination of NRCM-101 + 40 cm × 10 cm.
Advances and Emerging Trends in Horticultural Production and Management
Authors: Janbandhu Mohit Shalikram , Mehta Akshay , Beese Shreedhar , Pandey Shivam Kumar , Singh Barinderjit , Patel Abhimanyu , Singh Budhesh Pratap
Published: February 2024

Horticulture plays a vital role in global food and nutritional security. This review covers recent advances and emerging trends across various facets of horticultural production and management. Key focus areas include protected cultivation, precision agriculture, new cultivar development, innovations in propagation and breeding, micro irrigation systems, nanotechnology applications, and integrated pest management. The potential of advanced technologies like automation, robotics, artificial intelligence, and genetics in transforming horticulture is discussed. Challenges for sustainable intensification of horticultural systems are examined. The review highlights how cutting-edge sciences, digital integration, and ecological approaches will shape the future of horticulture with more productive, efficient, and climate-resilient production.
Image Segmentation Solutions for Improved Non-Cooperative Target Recognition
Authors: Jia Wenhang
Published: February 2024

The number of failed satellites in space is increasing, and they need to be fueled through space docking to extend their life or clean them out of orbit. Visual measurement is widely used in the docking session because of its real-time performance and economy, but the collected images will have background interference, which directly leads to the degradation of the accuracy of visual measurement. Reduce the difficulty of subsequent image processing by solving these problems. For the non-cooperative target of the star-arrow docking ring and the solar sail panel, which are two significant targets, this paper is based on target detection, according to the image difference, binarization, morphological operations and other methods to complete the accurate segmentation of the two targets, which can be more accurately complete the target detection, and the image segmentation effect is obvious. The target image obtained by image segmentation does not contain background interference, which is convenient for feature extraction and matching of the image.
Formulation of Culture Medium for the Enumeration of Lactic Streptococci and Lactobacilli from Fermented Milk Products
Authors: Gopal S.  , Shashikumar C. S.  , Yadav S.  , Prabha R.
Published: February 2024

Aims: The present study is focused to formulate a single selective differential medium for the enumeration of mixed lactic flora such as lactic streptococci and lactobacilli in domestic and market fermented milk products.

Study Design: In order to enumerate lactic streptococci and lactobacilli in a mixed flora of fermented milk, formulation of single selective medium was optimized using inhibitors and indicator instead of separate selective medium for lactic streptococci and lactobacilli.

Place and Duration of Study: The present study was conducted in the Department of dairy Microbiology, Dairy Science College, Karnataka Veterinary, Animal and Fisheries Sciences University (KVAFSU), Hebbal, Bengaluru-24, Karnataka from February 2020 to February 2021.

Methodology: Fermented milk samples like curd, yoghurt were collected, serially diluted and pour plated using Readymade M17 and MRS agar media and formulated selective yeast glucose agar medium. Lactic colonies obtained were enumerated, expressed as log10cfu/g and critical difference was calculated to declare significance and non-significance among the microbial parameters.

Results: Readymade M17 and MRS agar media gave better recovery of viable cells of lactic streptococci and lactobacilli from market samples of curd, yoghurt and domestic curd samples. The study helped to convert a general purpose medium yeast glucose agar as selective differential medium with addition of calcium propionate of 0.8 per cent to avoid Bacillus spore formers and sodium benzoate of 1.2 per cent to inhibit yeast, the common contaminants in fermented milk with 0.05 per cent BCP that led to formation of purple colonies of lactic streptococci and yellow colonies of lactobacilli.

Conclusion: The selective yeast glucose agar with 0.8 per cent and sodium benzoate of 1.2 per cent with 0.05 per cent BCP with purple colonies of lactic streptococci and yellow colonies of lactobacilli can be successfully used. This study verified the enumeration of mixed lactic flora in fermented milk products instead of M17 medium for lactic streptococci and MRS for lactobacilli, separately.
Clinical and molecular characterization of two adults with autosomal recessive Robinow syndrome
Authors: Tufan Fatih , Cefle Kivanc , Türkmen Seval , Türkmen Aydin , Zorba Unal , Dursun Memduh , Oztürk Sükrü , Palandüz Sükrü , Ecder Tevfik , Mundlos Stefan , Horn Denise
Published: June 2005

Autosomal recessive Robinow syndrome is caused by mutations in ROR2 and is characterized by short stature, mesomelic limb shortening, brachydactyly, vertebral abnormalities, and a characteristic “fetal face” dysmorphology. We report the clinical and molecular studies on two adults with this condition. Besides typical skeletal and facial features, one patient developed hydronephrosis, nephrocalcinosis, and renal failure. The second patient had characteristic skeletal manifestations including severe spinal involvement and showed endocrinological abnormalities including elevated gonadotropic hormones. The facial phenotype in both patients remained distinctive into adulthood. Analysis of the ROR2 gene revealed a homozygous c.1937_1943delACAAGCT mutation in Patient 1, and compound heterozygosity for c.355C > T (p.R119X). and c.550C > T (p.R184C) in Patient 2. © 2005 Wiley‐Liss, Inc.
Effizienz in der nichtenzymatischen kinetischen Racematspaltung
Authors: Vedejs Edwin , Jure Mara
Published: June 2005

Das im Vortitel gezeigte Walden‐Denkmal auf dem Campus der Technischen Universität Riga ist sicher eines der wenigen öffentlichen Monumente, die Schlüsselereignisse aus der Anfangszeit der stereokontrollierten Synthese thematisieren und vielleicht das einzige, das die “molekulare Sprache” der organischen Chemie gebraucht. Die ersten nichtenzymatischen kinetischen Racematspaltungen wurden, ebenso wie die ursprünglichen Varianten der Walden‐Umkehr, in den 1890er Jahren untersucht – also noch in der ersten Forschergeneration nach Entdeckung der tetraedrischen Natur des Kohlenstoffs. Aus diesen frühen Arbeiten ist abzulesen, dass die Prinzipien und die Bedeutung enantiokontrollierter Synthesen bereits gut verstanden waren. Was noch fehlte war eine verlässliche und schnelle Methode zur Quantifizierung der Ergebnisse und zur Optimierung der Experimente. Viele Jahrzehnte sollten vergehen, bis das Problem mit Einführung von HPLC‐ und GPLC‐Testreihen auf chiralen Trägern gelöst wurde. Das Walden‐Denkmal lädt den Vorübergehenden zur spielerischen Betrachtung ein – auf ähnliche Weise, wie auch die kinetische Racematspaltung zum Experimentieren einlädt. Dieser Aufsatz verfolgt den Verlauf der Geschichte angefangen von den ersten Entdeckungen über die faszinierenden historischen Meilensteine und konzeptionellen Entwicklungen und schließt mit einem Blick auf moderne Techniken zur Effizienzmaximierung.
Titelbild: Cluster‐Fehlordnung und Ordnungsprinzipien in Al‐stabilisiertem “LaI” (Angew. Chem. 25/2005)
Authors: Oeckler Oliver , Weber Thomas , Kienle Lorenz , Mattausch Hansjürgen , Simon Arndt
Published: June 2005

Diffuse Beugungsdaten von fehlgeordneten Verbindungen können dank neuer numerischer Algorithmen immer besser interpretiert werden, eine quantitative Strukturverfeinerung unter Einbeziehung aller Beugungsdaten, also nicht nur der Bragg‐Reflexe, gelang bisher aber nur in wenigen Fällen. Am Beispiel eines aluminiumstabilisierten Lanthansubiodids wird auf S. 3985 ff. die Verwendung evolutionärer Verfeinerungsalgorithmen demonstriert. Das Titelbild zeigt im Hintergrund ein Beugungsbild der Verbindung, in der Mitte davor ist ein Ausschnitt des fehlgeordneten Strukturmodells zu sehen.
Efficiency in Nonenzymatic Kinetic Resolution
Authors: Vedejs Edwin , Jure Mara
Published: June 2005

The Walden memorial at the Technical University in Riga is pictured in the frontispiece to mark the recent centennial of the Walden inversion. This is a rare public monument to key events from the first era of exploration in stereocontrolled synthesis, and may be the only such monument to use the language of organic chemistry expressed at the molecular level. The reaction of racemic substrates with chiral nucleophiles is one of many methods currently known to achieve kinetic resolution, a phenomenon that ranks as the oldest and most general approach for the synthesis of highly enantioenriched substances. The first nonenzymatic kinetic resolutions as well as the original forms of the Walden inversion were studied in the 1890s. All of these investigations were conducted within the first generation following the demonstration that carbon is tetrahedral, and provided abundant evidence that the principles and importance of enantiocontrolled syntheses were understood. However, a reliable, rapid technique to quantify results and guide the optimization process was still lacking. Many decades passed before this problem was solved by the advent of HPLC and GLPC assays on chiral supports, which stimulated explosive growth in the synthesis of nonracemic substances by kinetic resolution. The Walden monument is accessible to passers‐by for hands‐on inspection as well as for contemplation and learning. In a similar way, kinetic resolution is experimentally accessible and can be thought‐provoking at several levels. We follow the story of kinetic resolution from the early discoveries through fascinating historical milestones and conceptual developments, and close with a focus on modern techniques that maximize efficiency.
Preparation and characterization of double‐MF shell microPCMs used in building materials
Authors: Su Jun‐Feng , Wang Li‐Xin , Ren Li
Published: June 2005

A kind of double‐shell heat energy storage microcapsule was prepared used melamine formaldehyde (MF) resin as shell material, and the properties of the microcapsules were investigated. A phase change material, with melt point of 24°C and phase transition heat of 225.5J/g, was used as core. The microcapsules would be used in indoor walls to regulate the temperature and save energy. The surface morphological structure was examined by means of scanning electron microscopy. The strength of the shell was evaluated through observing the surface change after pressure by means of scanning electron microscopy. The average diameter of the microcapsules was 5 μm ∼ 10 μm. Diameter of 1 μm ∼ 5 μm could also be obtained by using different stirring speeds. The globular surface was smooth and compact. The thickness was 0.5 μm ∼ 1 μm. Also, the melting point of the microcapsules was 24.7°C, nearly equal to the pure phase change material. The DSC results make clear that the polymer shell of the microcapsules does not influence the properties of the phase change material. It was also found that the avoiding penetration property of the double‐shell microcapsules was better than that of single shell, and the average diameter of 5 μm was better than 1 μm. With the increase of ratio of the core material, the compactability decreased, and the shell thickness decreased. The mass ratio of core and shell was 3 : 1 to ensure that the microcapsules had good heat storage function. The measuring test showed that the microcapsules did not rupture at a pressure of 1.96 × 105 Pa. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1755–1762, 2005
Miscibility and fracture toughness of thermoplastic polyurethane/poly(vinyl chloride)/nitrile rubber ternary blends with special reference to the blend composition
Authors: Manoj N. R. , Sivaraman P. , Praveen S. , Raut R. D. , Chandrasekhar L. , Chakraborty B. C.
Published: June 2005

Ternary blends of thermoplastic polyurethane and a poly(vinyl chloride)/nitrile rubber blend were investigated in this work. The blends, with weight ratios of 100/0, 80/20, 40/60, 60/40, 80/20, and 0/100, were prepared via melt blending. Dynamic mechanical analysis showed that the blends with ratios of 20/80 and 80/20 were miscible, whereas the 40/60 and 60/40 blends were partially miscible. IR spectroscopy studies showed shifts in the peaks due to specific interactions in the blends. The blends showed degradation behavior between the blend components. The fracture toughness was investigated with the J‐integral by the locus method; the components and the miscible blends had good fracture toughness, whereas the other blends had lower toughness. Similar behavior was observed for the tensile properties. Scanning electron microscopy studies showed the morphological variations in the blends. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1763–1770, 2005
Mechanical properties of starch‐based materials. I. Short review and complementary experimental analysis
Authors: Follain N. , Joly C. , Dole P. , Bliard C.
Published: June 2005

The aim of this study was to review the mechanical properties (at break) of plasticized starch‐based materials from the literature. The methodology relied on the use of a graphic tool allowing a direct comparison of the strength and strain at break. The mechanical properties of the materials were systematically compared with those of glycerol‐plasticized starches at 57% relative humidity. Because all the systems were equivalent, whatever the strategies were, several starch development approaches were examined that depended on the required performance at break. First, classical formulations described in the literature (under comparable conditions) were tested. A smoothing of the mechanical performances was obtained, and they were surprisingly similar to those of the simple glycerol‐plasticized, starch‐based material family. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1783–1794, 2005
Anisotropic network formation by the photopolymerization of new monomers derived from 4‐hydroxybenzenethiol
Authors: Sáez P. , Aguilera C.
Published: June 2005

New polymerizable difunctional liquid crystals of monomers derived from 4‐hydroxybenzenethiol were synthesized, characterized, and photopolymerized by the formation of anisotropic films. These films were obtained by the irradiation of the monomers in the mesophase with UV light before they were macroscopically oriented in glasses treated on the surface with polyimide and uniaxially rubbed. The monomers showed smectic and nematic mesophases. The thin films, uniaxially oriented, were optically transparent. The orientation was verified by IR dichroism, which showed a preferential order of mesogens. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1812–1817, 2005
Effects of hydroxyl groups and architecture of organic polymers on polystyrene/silica nanocomposites
Authors: Saito Reiko , Kobayashi Shin‐Ichiro , Hosoya Takayoshi
Published: June 2005

Transparent polystyrene/silica nanocomposites were synthesized by casting the blend solutions of polystyrene (PS) derivatives and perhydropolysilazane (PHPS) and by calcinating the blend films of PS derivatives and PHPS at 100°C for 3 h under steam. Poly(styrene‐co‐4‐vinyl phenol)s [P(S‐co‐VPh)s], poly(styrene‐co‐hydroxymethyl styrene)s [P(S‐co‐HMS)s], poly(styrene‐co‐4‐vinyl phenol)‐block‐PSs [P(S‐co‐VPh)‐block‐PSs], and poly(styrene‐co‐hydroxymethyl styrene)‐block‐PSs [P(S‐co‐HMS)‐block‐PSs] were used as the PS derivatives. The morphology of the microphase separation, transparency, the degree of grafting of PHPS onto PS derivatives, and surface hardness of the composites were investigated by transmission electron microscopy, UV–vis, FTIR, and nanoindentation, respectively. Degrees of grafting of PHPS onto PS derivatives and transparency of the composites of P(S‐co‐VPh)s and P(S‐co‐VPh)‐block‐PSs were higher than those of P(S‐co‐HMS)s and P(S‐co‐HMS)‐block‐PSs. Surface hardness of the composites of P(S‐co‐VPh)‐block‐PS was drastically increased from 0.22 to 0.55 GPa by increasing the weight fraction of silica to 33.7%. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1835–1847, 2005
Hypertonic upregulation of betaine transport in renal cells is blocked by a proteasome inhibitor
Authors: Lammers Philip E. , Beck Jeffrey A. , Chu Shaoyou , Kempson Stephen A.
Published: June 2005

The renal betaine transporter (BGT1) protects cells in the hypertonic medulla by mediating uptake and accumulation of the osmolyte betaine. Transcription plays an essential role in upregulating BGT1 transport in MDCK cells subjected to hypertonic stress. During hypertonic stress, the abundance of the transcription factor TonEBP increases and it shifts from the cytoplasm to the nucleus where it activates transcription of the BGT1 gene. Little is known about post‐transcriptional regulation of BGT1 protein. In the presence of the proteasome inhibitor MG‐132, which blocked nuclear translocation of TonEBP, the hypertonic upregulation of BGT1 protein and transport was prevented and cell viability in hypertonic medium was impaired over 24 h. Urea also prevented the hypertonic upregulation of BGT1 protein and transport, but did not interfere with TonEBP translocation and cell viability. Shorter treatments of hypertonic cells with MG‐132 avoided viability problems and produced dose‐dependent inhibition of translocation and transport. When stably transfected MDCK cells that over‐expressed BGT1 were treated for 6 h with hypertonic medium containing 3 µM MG‐132, there was 43% inhibition of nuclear translocation, 83% inhibition of BGT1 transport, and no change in viability. While other proteasome functions may be involved, these data are consistent with a critical role for nuclear translocation of TonEBP in upregulation and membrane insertion of BGT1 protein. Copyright © 2005 John Wiley & Sons, Ltd.
Typhlitis in childhood cancer
Authors: McCarville M. Beth , Adelman C. Scott , Li Chenghong , Xiong Xiaoping , Furman Wayne L. , Razzouk Bassem I. , Pui Ching‐Hon , Sandlund John T.
Published: June 2005

BACKGROUND

Typhlitis is increasingly recognized in children undergoing chemotherapy but is poorly characterized. The authors investigated the demographic, clinical, and imaging (ultrasonography and computed tomography [CT] scans) variables related to the diagnosis, risk, and outcome of typhlitis.

METHODS

The authors reviewed the records of patients who had typhlitis (bowel wall thickness ≥ 0.3 cm plus clinical findings) during treatment at St. Jude Children's Research Hospital (Memphis, TN) between 1990 and 2001. They assessed whether duration of typhlitis was related to bowel wall thickness, extent of colonic involvement, ascites, demographics, primary diagnosis, symptoms of typhlitis, or duration of neutropenia. To identify risk factors for typhlitis, the authors compared the demographic data and previous drug therapy of 78 patients who had typhlitis and 1231 identically treated children who did not.

RESULTS

Of 3171 children, 83 (2.6%) developed typhlitis. Frequent symptoms were abdominal pain (91%), fever (84%), abdominal tenderness (82%), and diarrhea (72%). Twelve percent of the patients were not neutropenic. Duration of typhlitis was associated with bowel wall thickness measured by ultrasonography (n = 68; P = 0.05) but not CT scan (n = 48; P = 0.67) and was associated with duration of neutropenia (P = 0.02), fever (P = 0.01), and abdominal tenderness (P = 0.04). Age >16 years at cancer diagnosis was the only demographic factor associated with typhlitis (P = 0.03). Two patients died of typhlitis.

CONCLUSIONS

Ultrasonography was a useful imaging modality for children with suspected typhlitis. The classic triad of abdominal pain, fever, and neutropenia may be absent. The severity of typhlitis was related to the duration of neutropenia and the presence of fever or abdominal tenderness. Cancer 2005. © 2005 American Cancer Society.
Serum HER‐2/neu conversion to positive at the time of disease progression in patients with breast carcinoma on hormone therapy
Authors: Lipton Allan , Leitzel Kim , Ali Suhail M. , Demers Laurence , Harvey Harold A. , Chaudri‐Ross Hilary A. , Evans Dean , Lang Raquel , Hackl Wolfgang , Hamer Peter , Carney Walter
Published: June 2005

BACKGROUND

Prolonged exposure of breast carcinoma cells in vitro to tamoxifen results in tamoxifen resistance. Tamoxifen‐resistant cells express increased HER‐2/neu mRNA and protein. The objective of this study was to determine whether patients with metastatic or locally advanced breast carcinoma who have negative serum HER‐2/neu status at the initiation of first‐line hormone therapy with letrozole or tamoxifen convert to positive serum HER‐2/neu status at the time of disease progression and to determine whether serum HER‐2/neu conversion to positive status is associated with response to therapy and overall survival.

METHODS

Serum samples were obtained at baseline and at the time of disease progression from 240 patients who initially had negative serum HER‐2/neu status (< 15 ng/mL). A manual microtiter, enzyme‐linked immunosorbent assay that was specific for the extracellular domain of the HER‐2/neu (c‐erbB‐2) oncoprotein product was used to quantitate serum levels.

RESULTS

Among 240 patients, 61 patients (26%) converted from serum HER‐2/neu negative to positive (> 15 ng/mL) at the time of disease progression. Thirty‐two of 129 patients (25%) who were treated with tamoxifen and 29 of 111 patients (26%) who were treated with letrozole became converted to positive serum HER‐2/neu status at the time of disease progression. The response rate and the time to disease progression on first‐line hormone therapy were not affected by serum HER‐2/neu conversion. The survival of patients who converted to positive serum HER‐2/neu status was significantly shorter compared with the survival of patients who remained negative for serum HER‐2/neu. A multivariate analysis revealed that conversion to positive serum HER‐2/neu status was an independent prognostic variable for survival.

CONCLUSIONS

Conversion to positive serum HER‐2/neu status occurred in approximately 25% of patients who received first‐line hormone therapy. Conversion to serum HER‐2/neu‐positive status occurred with equal frequency in antiestrogen and aromatase‐inhibitor therapy. The current results showed that serum conversion to HER‐2/neu‐positive status was an independent risk factor for decreased survival in patients with breast carcinoma. Cancer 2005. © 2005 American Cancer Society.
Finite element methods for the simulation of incompressible powder flow
Authors: Ouazzi A. , Turek S. , Hron J.
Published: June 2005

Unlike fluids, flowing powders do not exhibit viscosity such that a Newtonian rheology cannot accurately describe granular flow. Assuming that the material is incompressible, dry, cohesionless, and perfectly rigid‐plastic, and based on continuum theories, generalized Navier–Stokes equations (‘Schaeffer Model’) have been derived where the velocity gradient has been replaced by the shear rate, and the viscosity depends on pressure and shear rate which leads to mathematically complex problems. In this note we present numerical algorithms to approximate these highly non‐linear equations based on finite element methods. A Newton linearization technique is applied directly to the corresponding continuous variational formulations. The approximation of incompressible velocity field is treated by using stabilized non‐conforming Stokes elements and we use a pressure Schur complement smoother as defect correction in a direct multigrid approach to solve the linear saddle‐point problems with high numerical efficiency. The results of several computational experiments for prototypical flow configurations are provided. Copyright © 2005 John Wiley & Sons, Ltd.
How Good is Fluorine as a Hydrogen‐Bond Acceptor in Fluorinated Single‐Walled Carbon Nanotubes?
Authors: Bettinger Holger F.
Published: June 2005

Ab initio (RI‐MP2/TZVPP) computations were employed to investigate the interaction between hydrogen‐bond donors H2O and CH3OH and covalently bound fluorine in organofluorine compounds. While the CF⋅⋅⋅HO interaction energy is around 3 kcal mol−1 for unstrained systems, the linear correlation between pyramidalization angle at the carbon atom and the interaction energy suggests that increased binding can be obtained in strained systems. This is confirmed for the dihydrodifluoropyrene–methanol pair, but a large portion of the binding energy is due to the interaction of the π system with the oxygen atom. Density functional periodic boundary condition computations (PBC‐PBE/6‐31G*) of the structures of (5,5) and (10,10) armchair (C2F)n fluorinated SWNTs (F‐SWNTs) indicate that the pyramidalization at the fluorine‐binding carbon atoms are too similar to that of CH3F to enhance the hydrogen‐bond acceptor properties of fluorine significantly. The solubility of F‐SWNTs in alcohols therefore could be due to a combination of hydrogen bonds and van der Waals interactions with the π systems.
Interfacial Langmuir–Blodgett Assembly of Straight and Parallel Aligned Nanoribbons
Authors: Chen Penglei , Gao Peng , Zhan Chuanlang , Liu Minghua
Published: June 2005

The fabrication of one‐dimensional nanomaterials is currently an important issue in nanoscience and nanotechnology. Herein, we report the construction of long, straight, and parallel aligned nanoribbons, by the in situ assembly of a novel, triangular amphiphilic molecule at an air–water interface. The 1,3,5‐trimesyl‐tri‐L‐glutamic acid hexaester, which has an aromatic core with three hydrophilic arms bearing three amide units and ending with six ester groups, was spread on a water surface, forming a stable, ultrathin film with a plateau region in its isotherm. When the film was compressed to a surface pressures, which exceeded the plateau region, nanoribbons were formed. Atomic force microscopy, X‐ray diffraction, Fourier‐transform infrared spectroscopy, transmission electron microscopy, electron diffraction, and circular dichroism were used to characterize the film and the nanoribbons. The nanoribbons were formed due to the in situ transformation of a two‐dimensional monolayer into a three‐dimensional nanoarchitecture at the air–water interface. When the compound was spread onto the water surface, it first formed a monolayer. Compressing the film led to the overlap of the second layer on the monomolecular sublayer. This second layer formed nanoribbons in which the triangular molecules stood vertically (using two corners) on the sublayer. The nanoribbons were stabilized by the ordered packing of the triangular molecules, which were held together by intermolecular hydrogen bonding. The results present a facile procedure for constructing three‐dimensional, regular nanoarchitectures in a two‐dimensional environment.
Angle‐Resolved Photoelectron Spectroscopy of Randomly Oriented 3‐Hydroxytetrahydrofuran Enantiomers
Authors: Giardini Anna , Catone Daniele , Stranges Stefano , Satta Mauro , Tacconi Mario , Piccirillo Susanna , Turchini Stefano , Zema Nicola , Contini Giorgio , Prosperi Tommaso , Decleva Pietro , Di Tommaso Devis , Fronzoni Giovanna , Stener Mauro , Filippi Antonello , Speranza Maurizio
Published: June 2005

Circular dichroism in the angular distribution of valence photoelectrons emitted from randomly oriented 3‐hydroxytetrahydrofuran enantiomers (ThS and ThR) has been observed in gas‐phase experiments using circularly polarized vacuum ultraviolet (VUV) light. The measured dichroism for both ThS and ThR, acquired at the single magic angle θ=234.73 ° and at photon energies of 22, 19, 16, and 14 eV, points to an asymmetric forward–backward scattering of the photoelectrons from their highest occupied molecular orbitals (HOMO) HOMO‐1 and HOMO‐2, of up to 5 %, depending on the photon energy. The asymmetry reverses on exchange of either the helicity of the radiation or the configuration of Th. The photoionization dichroic D parameters of ThS and ThR have been measured and their values discussed in the light of LCAO B‐spline density functional theory (DFT) predictions. While an acceptable agreement is found between the dichroic parameter measured and calculated at the highest photon energy for the HOMO and HOMO‐2 orbitals of Th, a significant discrepancy is observed for the HOMO‐1 state which is attributed to the floppiness of Th, in particular to the comparatively large sensitivity of the size and shape of its HOMO‐1 on nuclear vibrational motion.
A Theoretical Study on the Low‐Lying Excited States of 2,2′:5′,2′′‐Terthiophene and 2,2′:5′,2′′:5′′,2′′′‐Quaterthiophene
Authors: Rubio Mercedes , Merchán Manuela , Ortí Enrique
Published: June 2005

The nature and properties of the low‐lying singlet and triplet valence excited states of 2,2′:5′,2′′‐terthiophene (terthiophene) and 2,2′:5′,2′′:5′′,2′′′‐quaterthiophene (tetrathiophene) are discussed on the basis of high‐level ab initio computations. The spectroscopic features determined experimentally for short α‐oligothiophenes are rationalised on theoretical grounds. Special attention is devoted to the nonradiative decay process through intersystem crossing (ISC) from the singlet to the triplet manifold, which is known to be relatively less efficient in tetrathiophene. Along the geometry relaxation of the S1 state of terthiophene, the S1 and T2 states become degenerate, which leads to a favourable situation for the occurrence of ISC. The parallel process is expected to be less favoured in tetrathiophene because of the less efficient spin–orbit coupling and the increase of the S1–T2 energy gap.
Molecular Dynamics and Conformational Kinetics of Mono‐ and Disaccharides in Aqueous Solution
Authors: Behrends Ralph , Kaatze Udo
Published: June 2005

Acoustical attenuation spectra between 10 kHz and 2 GHz, complex dielectric spectra between 300 kHz and 40 GHz, and time‐resolved non‐equilibrium measurements are reported for aqueous solutions of various mono‐ and disaccharides with and without 2:1 valent salts. The spectra reveal a variety of relaxation regimes with relaxation times between 1 μs and 10 ps. In addition, the time‐resolved observations enable the study of the mutarotation with relaxation times on the order of 103 s. Variation of the concentration and temperature as well as a careful choice of the saccharides allow a discussion of the relaxation processes in terms of a chair–chair ring inversion, two modes of pseudorotation, an exocyclic hydroxymethyl group rotation, a carbohydrate–carbohydrate association, and, in the disaccharide solutions, a rotation of the rings relative to another. Salt‐containing solutions show also relaxation phenomena reflecting different steps cation–carbohydrate association and variations in the carbohydrate conformational isomerizations and associations due to interactions with cations.
Theoretical and Experimental Study of the Adsorption of Neutral Glycine on Silica from the Gas Phase
Authors: Lomenech C. , Bery G. , Costa D. , Stievano L. , Lambert J. F.
Published: June 2005

The adsorption of neutral glycine onto amorphous silica was investigated both theoretically and experimentally. DFT calculations were performed at the BLYP‐631++G** level using a cluster approach. Several possible configurations involving the formation of H bonds between glycine and one, two, or three silanol groups (SiOH) were considered. The most favorable bonding of glycine with one silanol group (45 kJ mol−1) occurs through the COOH moiety, thus forming a cycle in which the CO group is an H‐bond acceptor whereas the acidic OH group is an H‐bond donor. With two or three silanol groups, additional H bonds are formed between the amine moiety and the silanol groups, which leads to an increased adsorption energy (70 and 80 kJ mol−1 for two and three silanol groups, respectively). Calculated νCO, δHNH, and δHCH values are sensitive to the adsorption mode. A bathochromic shift of νCO as compared to the νCO of free glycine (calculated in the 1755–1790 cm−1 range) is found for glycine in interaction with silanol(s). The more H bonds are formed between the COOH moiety and silanol groups, the higher the bathochromic shift. For δHNH, no shift is found for glycine adsorbed on one and two silanol groups (where the amine is either not bound or an H‐bond donor), whereas a bathochromic shift is calculated with three silanols when the amine moiety is an H‐bond acceptor. Experimental FTIR spectra performed at room temperature for glycine adsorbed at 160 °C on Aerosil amorphous silica exhibit bands at 1371, 1423, 1630, and 1699 cm−1. The experimental/calculated frequencies have their best correspondence for glycine adsorbed on two silanol groups. It is important to note that the forms giving the best correspondence to experimental frequencies are the most stable ones.
The Excited‐State Chemistry of Phycocyanobilin: A Semiempirical Study
Authors: Göller Andreas H. , Strehlow Dietmar , Hermann Gudrun
Published: June 2005

Based on previous time‐resolved absorption studies, phycocyanobilin undergoes a photoreaction from an A‐ into a B‐ and C‐form, with the latter two photoproducts showing absorption spectra red‐shifted from A. To identify the molecular mechanism involved in the excited‐state reactions, the structural origin of the red shift in the absorption spectra is investigated. Using semiempirical AM1 calculations that include configuration interaction by pair doubles excitation configuration interaction, the absorption spectra of different conformers as well as different protonation states were calculated. The results clearly indicate a pronounced red shift in the spectra of structures either protonated or deprotonated at the basic/acidic centres of the tetrapyrrole chromophore whereas, in contrast, conformational changes alone result in a blue shift. Furthermore, it is shown by quantum chemical calculations that the basicity of phycocyanobilin is much higher in the excited than in the ground state, with a decrease in the excited‐state pKB* of ≈9.5 units. The acidity is only slightly enhanced with a drop in pKA* of only ≈1.6 units. From these findings, a reaction model for the excited‐state processes in phycocyanobilin is proposed. According to this model, photoexcitation of phycocyanobilin triggers an excited‐state proton transfer giving rise to the formation of a protonated species. In parallel, the local increase in the medium pH associated with protonation then forwards a deprotonation at an acidic NH‐group so that in effect both protonated and deprotonated phycocyanobilin would arise from the initial photoreaction and account for the observed red shift in the spectra of the B‐ and C‐forms.
Cooperativity and Proton Transfer in Hydrogen‐Bonded Triads
Authors: Mó Otilia , Yáñez Manuel , Del Bene Janet E. , Alkorta Ibon , Elguero José
Published: June 2005

Ab initio MP2/6‐311+G(3df,2pd) and MP2/aug‐cc‐pVTZ calculations have been carried out to investigate the structures and properties of AH⋅XH⋅YH3(A=F, Cl; X=F, Cl; Y=N, P) hydrogen‐bonded complexes. Significant cooperative effects are observed in the XH⋅YH3dyads in the triads due to the presence of the polar near‐neighbor AH. These effects are greater when the polar partner is HF, which is a better proton donor than HCl. Structural changes, red shifts of proton‐donor stretching frequencies, nonadditive interaction energies, and electron density redistributions unambiguously demonstrate that the XH⋅⋅⋅Y hydrogen bond (HB) is stronger in the triads than in the corresponding dyads, while the XH bond of the proton donor becomes weaker. Even more pronounced cooperative effects are observed in the AH⋅XH dyads due to the presence of the YH3partner. These effects are weaker in complexes having PH3rather than NH3as the proton acceptor, since NH3is a stronger base. Cooperativity also enhances the proton‐donating ability of the YH3moiety, with the result that all complexes except FH⋅FH⋅PH3are cyclic. Cooperativity, together with the ease of breaking the ClH bond in ClH⋅ClH⋅NH3and FH⋅ClH⋅NH3, leads to proton transfer (PT), so that these two complexes are better described as approaching hydrogen‐bonded ClHCl−⋅+HNH3and FHCl−⋅+HNH3ion pairs.
Synthesis and Optical Properties of Silver Nanoparticles and Arrays
Authors: Evanoff David D. , Chumanov George
Published: June 2005

This Minireview systematically examines optical properties of silver nanoparticles as a function of size. Extinction, scattering, and absorption cross‐sections and distance dependence of the local electromagnetic field, as well as the quadrupolar coupling of 2D assemblies of such particles are experimentally measured for a wide range of particle sizes. Such measurements were possible because of the development of a novel synthetic method for the size‐controlled synthesis of chemically clean, highly crystalline silver nanoparticles of narrow size distribution. The method and its unique advantages are compared to other methods for synthesis of metal nanoparticles. Synthesis and properties of nanocomposite materials using these and other nanoparticles are also described. Important highlights in the history of the field of metal nanoparticles as well as an examination of the basic principles of plasmon resonances are included.
Cover Picture: Energy Transfer in Single Hydrogen‐Bonded Water Molecules (ChemPhysChem 6/2005)
Authors: Bakker Huib J. , Gilijamse Joop J. , Lock Anjan J.
Published: June 2005

The cover picture shows a single water molecule that is hydrogen‐bonded (thin blue lines) to two neigboring acetone molecules. Water can enter an apolar solvent such as CCl4 if it is embedded by amphiphilic acetone molecules. In their Article on page 1146 Bakker et al. show by femtosecond mid‐infrared spectroscopy that the water molecules enter the apolar matrix in the form of particularly hydrogen‐bonded complexes with acetone. The OH stretching vibrations of the water molecule have been excited by an infrared laser pulse. Because the OH vibrations of the water molecule are in resonance, the vibration is delocalized over the molecule.
Clinical evaluation of an aerolysin‐based screening test for paroxysmal nocturnal haemoglobinuria
Authors: Peghini Pietro Edmondo , Fehr Jörg
Published: June 2005

Background

Recently, a toxin produced by Aeromonas hydrophila was demonstrated to bind directly to the glycosyl‐phosphatidyl‐inositol (GPI) anchor. After coupling it to a fluorescent dye and applying it in fluorescence‐activated cell scanning (FACS), this property was exploited to detect GPI‐negative cells in the diagnosis of paroxysmal nocturnal haemoglobinuria (PNH).

Methods

We used this reagent according to a very simple staining protocol followed by single‐colour FACS and compared the results in patients with PNH and normal controls with those obtained with antibody‐mediated detection of cells lacking GPI‐anchored proteins.

Results

We observed very good concordance between the two methods, with correlation coefficients (R2) of quantified GPI‐deficient cell populations ranging from 0.952 to 0.969. The lower limit of detection was determined at 0.50% GPI‐negative cells, which was in the range obtained with double‐colour staining with antibodies (0.20–1.00%, depending on the antibody). A significant correlation was observed between the fraction of GPI‐negative granulocytes and laboratory parameters of haemolysis, with the erythrocyte creatine having the best correlation (R2 = 0.671, P < 0.0001).

Conclusions

Using this protocol, we were able to reliably diagnose PNH with a high sensitivity. The test allows the identification of GPI‐negative granulocyte populations as small as 0.5%. © 2005 Wiley‐Liss, Inc.
Effect of cytological fixative and environmental conditions on nuclear morphometric characteristics of squamous epithelial cells in sputum
Authors: Gottschall E. Brigitte , McGinley John N. , Spoelstra Nicole , Knott Katrina , Wolfe Pamela , Rose Cecile , Singh Meenakshi , Thompson Henry J.
Published: June 2005

Background

Sputum samples for lung cancer screening trials are typically collected at home into specimen containers prefilled with cytologic fixative. Collection, transit, and storage expose samples to environmental conditions that may introduce artifacts that could confound evaluation. We examined whether the type of cytological fixative and exposure to different environmental conditions introduces artifacts that affect cytological analysis.

Methods

Sputum fixed in Saccomanno fluid (SAC), containing methyl, ethyl, and propyl alcohols and polyethylene glycol, or CytoRich Red solution (CRR), containing methyl and isopropyl alcohols and ethylene glycol, plus formaldehyde, was aliquoted and exposed for 8 h to the following conditions: (a) −20°C freezer, (b) 60°C oven, (3) direct sunlight, and (4) room temperature. Cell morphometry was evaluated using computer‐assisted image analysis (CAIA).

Results

The values obtained for CAIA analysis of sputum were affected by the type of fixative used. Temperature extremes and sunlight dramatically altered nuclear morphometry of SAC‐fixed cells. Artifacts were not observed in CRR‐fixed cells.

Conclusions

The effects of environmental exposures were minimized if sputum was placed in a formalin‐containing fixative such as CRR. If an alcohol‐based fixative such as SAC is used, sample handling, transport, and storage must be monitored to prevent the introduction of artifacts. © 2005 Wiley‐Liss, Inc.
Generalization of circuit simulator by automatic differentiation
Authors: Kato Toshiji
Published: June 2005

Circuit simulators have often been used for power electronic system design. However, most of them are limited in their application class to one with fixed elements because they can only handle programmed or fixed element characteristics. To overcome this disadvantage, a simulator should be flexible enough to handle any combination of characteristics of available mathematical functions and operations. It is a problem how to compute Jacobian elements or partial derivatives with respect to circuit variables. This paper proposes a way to compute the derivatives by using the automatic differentiation method which is simple and accurate. The principle and application examples are described. © 2005 Wiley Periodicals, Inc. Electr Eng Jpn, 152(3): 47–54, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20075
Electroencephalogram‐based control of a mobile robot
Authors: Tanaka Kazuo , Matsunaga Kazuyuki , Hori Shigeki
Published: June 2005

This paper presents electroencephalogram‐based control of a mobile robot. The purpose of control is to achieve direction control of a mobile robot only by electroencephalogram. We develop an algorithm for directing direction thinking (“going left” or “going right”) and apply it to direction control of a mobile robot. The algorithm is based on time–frequency domain analysis using continuous wavelet transformation. Our experimental results demonstrate the possibility of achieving direction control of a mobile robot only by electroencephalogram. © 2005 Wiley Periodicals, Inc. Electr Eng Jpn, 152(3): 39–46, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20109
Application of Tabu‐BOA to acquire multimodal and multiobjective solutions for electric equipment configuration problems in a power plant
Authors: Katsumata Yuji , Terano Takao
Published: June 2005

This paper applies the Bayesian Optimization Algorithm with Tabu Search (Tabu‐BOA) to electric equipment configuration problems in a power plant. Tabu‐BOA is a hybrid evolutionary computation algorithm with competent genetic algorithms and meta‐heuristics. The configuration problems we consider have complex combinatorial properties, and therefore are hard to formulate and solve via conventional mathematical programming techniques. Using the proposed method, we have solved the following problems (in order of increasing complexity): (1) cost minimization of electric equipment configuration and the corresponding cabling, (2) plus choice of the power plant operation patterns, (3) plus parallel operation of multiple transformers, (4) plus change of the supply voltages (high voltage or low voltage) to the electric power load, and (5) with addition of another objective, that is, both minimization of the cost and maximization of the surplus power supply. © 2005 Wiley Periodicals, Inc. Electr Eng Jpn, 152(3): 8–20, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20150
Optimization of the simultaneous removal of nitrogen and organic matter from fishery wastewaters
Authors: Aspé Estrella , Martí M. Cristina , Roeckel Marlene
Published: June 2005

Anaerobic treatment of saline and protein‐rich effluents reduces the organic concentration but forms ammonium that hinders nitrogen removal in a later aerobic treatment. The goal of this work was to optimize the design of a denitrifying–nitrifying system for the simultaneous removal of organic matter and nitrogenous compounds from fishery effluents to meet the Chilean legal standards and to compare pre‐ and postdenitrification processes in the biological treatment of high‐strength effluents to minimize the total volume of biological reactors required. A predenitrifying system, that included three reactors—acidifying anaerobic filter, denitrifying (anoxic) filter, and aerobic‐active sludge (nitrifying reactor) with recycle to the denitrifying reactor—reduced nitrogen to 0.33 g of total ammonia nitrogen (TAN) L−1, well above the allowed 0.05 g total nitrogen L−1. The predenitrifying system with a second denitrifying reactor, to which organic matter was added, met the legal organic matter and nitrogen emission concentrations (0.042 g TAN L−1). Conversions were 99.0, 92.5, 90.9, and 99.0% for the anaerobic digestion, first denitrification, nitrification, and second denitrification, respectively. © 2005 American Institute of Chemical Engineers Environ Prog, 2005
Assessment of non‐Fickian subgrid‐scale models for passive scalar in a channel flow
Authors: Montreuil E. , Labbé O. , Sagaut P.
Published: June 2005

In order to assess new subgrid‐scale (SGS) models for a passive scalar, several large eddy simulations of a turbulent channel flow with passive scalar, for various Prandtl numbers ranging from 0.1 to 2.0 are carried out. These models are not based on the classical Fickian approximation and do not necessarily induce an alignment between the SGS heat flux vector and the gradient of the resolved temperature. Five SGS models are investigated on two grids. To validate the simulations, statistical quantities such as mean temperature, temperature variance and turbulent heat flux are compared with available data obtained by direct numerical simulation (DNS). The SGS dissipation is computed for different models in order to analyse its behaviour. The turbulence structures based on instantaneous velocity and temperature are described to study the correlations between these two fields. Among the assessed models, those consisting in Fickian and non‐Fickian parts seem to be full of promise. Copyright © 2005 John Wiley & Sons, Ltd.