bluuebunny/crossref_metadata_2025_split huggingface dataset:
Langmuir Layers and Langmuir–Blodgett Films of Bis-tetrathiafulvalene Annelated Macrocycle
Authors: Nakamura Takayoshi , Tatewaki Yoko , Ohta Takanori , Wakahara Keisuke , Akutagawa Tomoyuki , Hasegawa Tatsuo , Tachibana Hiroaki , Azumi Reiko , Matsumoto Mutsuyoshi , Christensen Christian A , Becher Jan 
Published: February 2005

Abstract
The Langmuir layers of amphiphilic bis(tetrathiafulvalene) [bis(TTF)] annelated macrocycle (1) and those of the (1)[2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane (F4-TCNQ)]2 charge-transfer (CT) complex were evaluated. The neutral molecule of 1 recognized Cs+ ion at the air–water interface forming a domain structure. Contrastingly, (1)(F4-TCNQ)2 did not recognize Cs+ ion at the air–water interface. The Langmuir layers of 1 were deposited on a mica surface, resulting in the formation of fibrils. The highly oriented structure of the fibrils at the molecular level was confirmed by a large dicroism in the IR spectra. The (1)(F4-TCNQ)2 layer deposited on the mica surface consisted of nanowires oriented in specific directions. The UV–vis–NIR spectra revealed an intramolecular dimer structure of the donor 1 cation radical in the CT complex. An extended nanowire network structure was obtained when the K+ cation was introduced into the subphase. The stacking of intramolecular TTF dimers and intermolecular F4-TCNQ dimers directed the formation of nanowires, which are oriented on mica by recognizing fully occupied hexagonal K+ sites at the surface. The nanowire orientation was readily disturbed by varying film deposition conditions such as subphase temperature, deposition speed, or surface pressure, indicating that the fluidity of Langmuir layer was important for obtaining nanowire structure.
Synthesis, Spectral Characterization, and DNA Binding Studies of trans-[Dichlorobis(2,3-dicyanodipyrido-N8,9-[3,2-f:2′,3′-h]quinoxaline)chromium(III)] Perchlorate Dihydrate
Authors: Vijayalakshmi Rajamanickam , Kanthimathi Mookandi , Parthasarathi Ramakrishnan , Nair Balachandran Unni 
Published: February 2005

Abstract
A new dichlorochromium(III) complex with the 2,3-dicyanodipyridoquinoxaline ligand has been synthesized and characterized by UV–visible, mass spectroscopy, and cyclic voltammetry. The DNA binding properties of this CrIII complex to CT DNA were demonstrated by absorption titration, melting temperature and viscosity measurements. Hypochromism in the absorption spectra, an increase in the denaturation temperature and changes in the viscosity in the presence of the complex indicate that the complex binds to DNA through the intercalative mode. Based on the data obtained from molecular-mechanics calculations, an intercalative mode of binding to d(GC)12 through a minor groove is favored. The title complex promotes the cleavage of plasmid pBR322 DNA in the presence of peroxide, and a slight retardation in the mobility of plasmid DNA.
Microwave Assisted Direct Ortho-Acylation of Phenol and Naphthol Derivatives by BF3·(C2H5)2O
Authors: Naeimi Hossein , Moradi Leila 
Published: February 2005

Abstract
The solventless acylation of phenol and naphthol derivatives with various organic acids and BF3·(C2H5)2O, under microwave conditions, was studied. High yields of the o-acylated products were achieved in a very short time.
Crystalline Photochromism of 2-Propynylallene Derivatives
Authors: Tanaka Koichi , Tomomori Akihiro , Scott Janet L 
Published: February 2005

Abstract
Some 2-propynylallene derivatives exhibited color change from pale-yellow to green upon photoirradiation with visible light in the solid state. The green color disappeared either by heating or dissolving into solvents. The photochromism of 2-propynylallene derivatives depends largely on the substituents on the aromatic rings. Crystallographic analysis indicates that the overlap of the π systems of the fluorene moiety in the photochromic crystals allow photoinduced charge-transfer interactions in the solid-state.
Wet THF as a Suitable Solvent for a Mild and Convenient Reduction of Carbonyl Compounds with NaBH4
Authors: Zeynizadeh Behzad , Behyar Tarifeh 
Published: February 2005

Abstract
NaBH4 in wet THF can readily reduce varieties of carbonyl compounds such as aldehydes, ketones, conjugated enones, acyloins, and α-diketones to their corresponding alcohols in good to excellent yields. Reduction reactions were performed at room temperature or under reflux condition. In addition, the chemoselective reduction of aldehydes over ketones was accomplished successfully with this reducing system.
Synthesis of Near-Infrared Fluorescent 2,3-Dicyano-6H-1,4-diazepines
Authors: Horiguchi Emi , Funabiki Kazumasa , Matsui Masaki 
Published: February 2005

Abstract
A series of novel 5-(2-arylethenyl)-, 5-(4-arylbutadienyl)-, 5-(6-arylhexatrienyl)-, and 5-(8-octatetraenyl)-, 5-aryl-7-(2-arylethenyl)-, and 5,7-bis(2-arylethenyl)-2,3-dicyano-6H-1,4-diazepines were synthesized by the reactions of 2,3-dicyano-5-methyl-6H-1,4-diazepines with aromatic aldehydes. These compounds showed intramolecular charge-transfer chromophoric systems from the arylethenyl to the 2,3-dicyano-6H-diazepine moieties. The shifts in UV–vis absorption bands were estimated by calculating the HOMO and LUMO energy levels. 2-(9-Julolidyl)ethenyl derivative showed the most intense fluorescence. The 6-(9-julolidyl)-1,3,5-hexatrienyl and 8-(9-julolidyl)-1,3,5,7-octatetraenyl derivatives exhibited the fluorescence maxima (Fmax) at 780 and 842 nm, respectively.
Palladium-Catalyzed Carboacylation of Alkenes by Using Acylchromates as Acyl Donors
Authors: Yamane Motoki , Kubota Yuko , Narasaka Koichi 
Published: February 2005

Abstract
Palladium-catalyzed arylacylation of alkenes proceeds by employing acylchromates as acyl donors. When active alkenes such as norbornene and methoxyallene are treated with an aryl iodide, an acylchromate, and a catalytic amount of Pd(OAc)2/2P(o-Tol)3, arylacylation of these alkenes proceeds at room temperature. From aryl iodides having an intramolecular alkene moiety, cyclization–acylation products are obtained via intramolecular arylpalladation followed by acylation with acylchromates.
Centrifuge Modeling of Diffusion through Rock Mass
Authors: Gurumoorthy C , Singh DN 
Published: February 2005

Abstract
A geotechnical centrifuge has been employed to model diffusion of contaminants through fractured and intact rock mass. This paper deals with the details of the test setups used for this purpose. The obtained results have been compared with those obtained from the conventional diffusion tests and the validity of the modeling of models has been demonstrated. The study demonstrates the usefulness of the geotechnical centrifuge for modeling the diffusion of contaminants through rock mass in a short time.
Shear Stress/Shear Strain Relation of Wood Obtained by Asymmetric Four-Point Bending Test of Side-Tapered Specimen
Authors: Yoshihara H , Suzuki A 
Published: February 2005

Abstract
For determining the shear stress/shear strain relation, we conducted asymmetric four-point bending tests using a side-tapered specimen. Sitka spruce (Picea sitchensis Carr.) was used for the testing material. Rectangular beams with various depths were prepared and symmetric tapers were cut on both side surfaces of the beam so that the failure by shearing preceded that by bending. Asymmetric four-point bending tests were performed under a constant span length condition, and the shear stress/shear strain relations were obtained. In addition to the asymmetric bending tests, Iosipescu shear tests were conducted and the results were compared. The shear stress/shear strain relation could be obtained by the asymmetric four-point bending tests more easily and effectively than by the Iosipescu shear tests when the specimen had a proper configuration. Hence, we concluded that the asymmetric four-point bending test of a side-tapered specimen is promising for determining the shear stress/shear strain relation of wood.
Evaluation of Welds Exhibiting Large Scatter in Charpy Toughness Using the Reference Temperature
Authors: Graham SM 
Published: February 2005

Abstract
Conformance tests carried out on 7018 M weld wire revealed that some lots exhibited excessive scatter in Charpy toughness. A test program was conducted to determine if the fracture behavior of the welds was significantly influenced by the occasional low Charpy values. Charpy and tensile data were collected on welds made from lots of 7018 M wire that failed conformance testing. Fracture toughness tests were also conducted to characterize the fracture performance in the transition temperature region. A baseline for acceptable fracture behavior was established based on fracture toughness and Charpy data from 70-series weld wires that are typically used in the same, or similar, applications. The reference temperature of the 7018 M weld was determined to be -72.1°C (-97.7°F), which was well below the baseline of -45°C (-49°F). Therefore, the 7018 M weld was shown to have equal or better fracture toughness than the baseline at any temperature. Consequently, the large scatter in Charpy toughness was not indicative of poor fracture performance.
Application of the ASTM Loop Abrasion Test to Cylindrical Specimens
Authors: Qu J , Truhan JJ , Blau PJ 
Published: February 2005

Abstract
The loop abrasion test (based on ASTM G 174-03) was modified to accommodate cylindrical specimens in place of the usual flat specimens. Hardened AISI 52100 steel, a galling-resistant stainless steel (Nitronic 50), transformation-toughened zirconia ceramic, and an advanced composite containing Ni3Al and TiC (cermet) were used to validate the new testing geometry. The weight change and the scar width were measured, and the calculated wear volumes for each metric were compared with very good correlation. Each test was interrupted periodically in order to determine the effect of sliding distance on the wear rate. In general, a higher wear rate was observed during wear-in followed by a nearly constant steady-state wear rate. The initial high wear rate was contributed primarily by the fresh abrasive and secondarily by the high contact stress. The loop abrasion test has good repeatability and sensitivity for ranking materials. The abrasion resistance of both the cermet and the zirconia was much higher than that of Nitronic 50 and hardened 52100 steel. Even though the hardness of the cermet is lower than zirconia, it had the highest abrasion resistance in this study. Comparative tests on cylindrical and traditional flat specimens (per ASTM G 174-03) showed similar wear behavior with slightly higher wear rate for the cylindrical specimens due to higher contact stress.
Knowledge Base System for Human Resource Evaluation in a University Environment
Authors: Uzoka FME , Akinyokun OC 
Published: February 2005

Abstract
The statutory objectives of a university include teaching, research, and community development. The major assets employed in the attainment of these objectives include man, money, materials, and time. Man, who serves as the major driver of the other assets, has three components, namely academic staff, administrative staff, and technical staff. An essential management function is the evaluation of the academic staff of the university in order to determine their contributions to the aims and objectives of the university. In this study, a knowledge base system has been developed for the evaluation of the performance of human resources in a university environment, with emphasis on the academic staff component. The system, christened HURES, is developed in a Microsoft Access and Visual Basic 6.0 environment. A case study of the academic staff of a university community is carried out in order to demonstrate the practicality of the system.
Crystal structure and Raman spectral studies of BaSO4—PbSO4 solid solution
Authors: Lee Jiann-Shing , Wang Hsiu-Ru , Iizuka Yoshiyuki , Yu Shu-Cheng 
Published: February 2005

Abstract
Natural hokutolite, (Ba,Pb)SO4, is a radioactive sulfate mineral occurring in hot-spring deposit. Unlike the limited PbSO4 content observed in natural specimens, the present study reveals that (Ba,Pb)SO4 crystals can be grown with compositions covering the whole solid solution series of PbSO4 and BaSO4. X-ray measurements show that the unit cell parameters gradually increase with increasing BaSO4 content. The nonlinear behavior of the unit cell dimensions with composition shows that a positive deviation from linear variation exists in the b-axis direction and negative deviations for a- and c-axes. It is evident that the variations in the M-O bond lengths result in the significantly negative deviations of all unit cell parameters from Vegard’s rule around 70 mol% BaSO4. Hence, the abnormally negative deviations of all unit cell parameters from Vegard’s rule are primarily attributed to the discontinuities in the mean M-O bond lengths. In addition, the existence of structure gap in natural hokutolite samples reported may be ascribed to the same reason.
Raman bands in these synthetic crystals show monotonous changes in ν
1 frequency from anglesite to barite. It is inferred that the slight decrease in ν
1 frequency for crystals with BaSO4 content being smaller than 20 mol% may be attributed to the net effect of the S—O force constants, intertetrahedral O—O force constants, and distortions of SO4 tetrahedra. The present results also indicate that the positional disordering along the solid solution series is responsible for the Raman line broadening, showing the local maximum in the line width plot occurs at about 50 mol% substitution. This work also demonstrates that variations of Raman shift of ν
1 band as well as its line width are essentially related to the random Pb—Ba substitution in our synthetic crystals.
Lone electron pair stereoactivity, cation arrangements and distortion of heteropolyhedral sheets in the structures of Tl2[(UO2)(AO4)2] (A = Cr, Mo)
Authors: Krivovichev Sergey V. , Locock Andrew J. , Burns Peter C. 
Published: February 2005

Abstract
Two new Tl uranyl compounds, Tl2(UO2)(MoO4)2 and Tl2(UO2)(CrO4)2, have been prepared by high-temperature solid-state reaction and hydrothermal synthesis, respectively. The structure of Tl2(UO2)(MoO4)2 (orthorhombic, Pca21, a = 10.977(3), b = 14.004(3), c = 14.041(3) Å, V = 2158.5(8) Å3, Z = 8) has been solved by direct methods and refined to R
1 = 0.051 on the basis of 5229 unique observed reflections (|F
o| ≥ 4σ
F). The structure of Tl2(UO2)(CrO4)2 (orthorhombic, Pca21, a = 10.7034(5), b = 13.4252(6), c = 13.9364(6) Å, V = 2002.6(2) Å3, Z = 8) has been solved by direct methods and refined to R
1 = 0.035 on the basis of 6330 unique observed reflections (|F
o| ≥ 4σ
F). The compounds are isostructural and are based upon [(UO2)(AO4)2] sheets (A = Cr, Mo) of UrO5 pentagonal bipyramids (Ur = UO2
2+, uranyl ion) that share equatorial corners with AO4 tetrahedra. The sheets are parallel to (001) and are linked by Tl+ cations located in the interlayer. Stereoactive lone electron pairs on the Tl+ cations form lone pair-containing cavities that form channels parallel to the a axis and are located at the level of y ∼ 0.5. The repulsion of the Tl+ cations across the cavities leads to the distortion of the cation arrangements and, as a consequence, distortion of the flexible [(UO2)(AO4)2] uranyl molybdate/chromate sheets.
Molecular structure of two C-aryl-iminocyclitols studied by X-ray andab initiocalculations
Authors: Zukerman-Schpector Julio , Caracelli Ignez , Vega-Teijido Maurício , Garcia Ariel L. L. , Costenaro Edson R. , Correia Carlos Roque D. 
Published: February 2005

Abstract(1), C18H26N2O7,Mr= 382.41,P212121,a= 9.7215(9),b= 10.687(1),c= 18.399(2) Å,V= 1911.6(3) Å3,Z= 4,R1= 0.0395. (2), C12H18ClNO4,Mr= 275.72,P21,a= 10.431(1),b= 6.9223(8),c= 18.043(2) Å,β= 102.085(7)°,V= 1273.9(2) Å3,Z= 4,R1= 0.0578. The five membered ring is in a twist conformation in (1) and in the two independent molecules of (2) in an envelope conformation. In both compounds the hydroxyl moieties are involved in hydrogen bonds. The compounds were studied by HF/6-31G** computations.
A comparative study of the anisotropy of lattice strain induced in the crystals of L-serine by cooling down to 100 K or by increasing pressure up to 4.4 GPa
Authors: Boldyreva Elena V. , Kolesnik Evgenia N. , Drebushchak Tatyana N. , Ahsbahs Hans , Beukes Jon Ares , Weber Hans-Peter 
Published: February 2005

Abstract
The anisotropy of lattice strain in the crystals of L-serine (P212121, at ambient conditions a = 5.615(1) Å, b = 8.589(2) Å, c = 9.346(2) Å) on cooling down to 100 K and with increasing hydrostatic pressure up to 4.4 GPa was compared with each other and also with the results previously obtained for the polymorphs of glycine. On cooling, the structure expanded slightly along the crystallographic a-direction, compression along the crystallographic b- and c-directions (normal to the chains of the serine zwitter-ions) was very similar. With increasing pressure, the same structure compressed in all the crystallographic directions, linear strain along c-axis was the largest, linear strain along a-axis — the smallest, linear compression along the b-axis with increasing pressure was slightly larger than that along the a-axis. The different anisotropy of lattice strain of the same structure on cooling and under pressure could be correlated with different response of intermolecular hydrogen bonds to these two scalar actions.
Synthesis, IR spectrum, thermal behaviour and crystal structure of a novel one-dimensional cyano-bridged zinc(II)/nickel(II) complex
Authors: Karadag Ahmet , Pasaoglu Hümeyra , Kastas Gökhan , Büyükgüngör Orhan 
Published: February 2005

Abstract
The cyano-bridged heteronuclear coordination polymer of zinc(II)/nickel(II) has been prepared by N-(2-hydroxyethyl)-ethylendiamine (hydet-en), alternatively named 2-(2-aminoethylamino)-ethanol and characterised by IR and thermal analysis. In the bimetallic complex, the decomposition of hydet-en ligands is seen to be endothermic whereas that of the cyano ligands is found to be exothermic. The crystal structure of the complex has been determined by single-crystal X-ray diffraction. The crystal structure of the zinc(II)-nickel(II) complex consists of a one-dimensional polymeric chain –Zn(hydet-en)2–NC–Ni(CN)2–CN–Zn(hydet-en)2– in which the zinc(II) and nickel(II) atoms are linked to each other by the cyano groups. The shift and splitting of the cyano stretching vibration is also evidence for the formation of cyano bridges. The nickel atom has a square-planar arrangement with four cyanide-carbon atoms where two cyano groups are in terminal position and two further ones in a bridging position. The Zinc atom has a distorted octahedral arrangement with two cyano and two hydet-en ligands. Both cyano and hydet-en ligands act as N-donor ligands and ethanol groups of the hydet-en ligand are not involved in the coordination. The NH, NH2 and OH groups of the hydet-en ligand are involved in intra- or intermolecular hydrogen bonding.
Update on Chemotherapeutic Agents Utilized for Perioperative Intraperitoneal Chemotherapy
Authors: Sugarbaker Paul H. , Mora Jorge Torres , Carmignani Pablo , Stuart O. Anthony , Yoo Dal 
Published: February 2005

Abstract
A new strategy currently under evaluation in patients with peritoneal carcinomatosis from gastrointestinal and gynecologic cancers is perioperative intraperitoneal chemotherapy. Although results to date show benefit to carefully selected groups of patients, continued local-regional failure is seen in many treated patients. Continued clinical and laboratory research efforts to improve local-regional effects are desired. The chemotherapeutic agents that have been used in the past or are currently being tested were reviewed. Their pharmacologic properties and clinical features were collected from the medical literature and are reviewed in the text. An organized presentation of available data concerning the drugs available for perioperative intraperitoneal chemotherapy for peritoneal surface malignancy was made. From this review, new possibilities for improved doses, schedules, and drug combinations for perioperative intraperitoneal chemotherapy may become important in future clinical studies. Continued optimal utilization of intraperitoneal chemotherapy treatments in the operating room with hyperthermia or normothermic treatment in the early postoperative period is desirable. Innovative treatment strategies can improve the outcome of patients with peritoneal surface malignancy.
Phase II Study of 5-fluorouracil, Doxorubicin, and Mitomycin C for Metastatic Small Bowel Adenocarcinoma
Authors: Gibson Michael K. , Holcroft Christina A. , Kvols Larry K. , Haller Daniel 
Published: February 2005

Abstract
Background. Small bowel adenocarcinoma is a rare gastrointestinal malignancy that is treated primarily with surgery. Even with optimal resection, however, survival is poor and recurrences are common. Response rates to palliative combination chemotherapy are low, and the median duration of survival for metastatic disease is less than 1 year. This study aimed to document the response rate and survival time for patients with advanced small bowel adenocarcinoma who were not surgically curable and were treated with a regimen of 5-fluorouracil (5-FU), mitomycin C (Mutamycin®; Bristol-Myers Squibb; Princeton, NJ), and doxorubicin (Adriamycin®; Bedford Laboratories; Bedford, OH), the FAM regimen.
Methods. This multi-institutional study was performed by the Eastern Cooperative Oncology Group (ECOG). Between November, 1983 and December, 1985, 39 patients with advanced or recurrent disease were enrolled. Chemotherapy was given as follows: 5-FU, 600 mg/m2 on days 1, 8, 29 and 36; mitomycin C, 10 mg/m2 on day 1; and doxorubicin, 30 mg/m2 on days 1 and 29. Eligibility criteria included an ECOG performance status score of 0–2, measurable disease, and adequate baseline organ function. Prior chemotherapy was allowed. Response was measured by examination and imaging techniques. Survival time and time to progression were evaluated by the method of Kaplan and Meier, and these outcomes were stratified by clinical and laboratory covariates.
Results. Of the 39 evaluated patients, 38 were eligible and 36 were evaluable for response. Grade 3–5 toxicities were experienced by a total of 26 patients (20 grade 3, 5 grade 4, 1 grade 5). The most common adverse events were neutropenia and vomiting. Responses were seen in a total of seven patients (2 complete responses, 5 partial responses), for a response rate of 18.4% (95% confidence interval of 7.8%–34.4%). The median survival time was 8 months.
Conclusions. The FAM regimen was active and tolerable for patients with advanced small bowel adenocarcinoma; however, the results were no better than those seen with other chemotherapy combinations.
Orthogonal Multipolar Interactions in Structural Chemistry and Biology
Authors: Paulini Ralph , Müller Klaus , Diederich François 
Published: February 2005

AbstractThe past few decades of molecular recognition studies have greatly enhanced our knowledge on apolar, ion–dipole, and hydrogen‐bonding interactions. However, much less attention has been given to the role that multipolar interactions, in particular those with orthogonal dipolar alignment, play in organizing a crystal lattice or stabilizing complexes involving biological receptors. By using results from database mining, this review attempts to give an overview of types and structural features of these previously rather overlooked interactions. A number of illustrative examples of these interactions found in X‐ray crystal structures of small molecules and protein–ligand complexes demonstrate their propensity and thus potential importance for both, chemical and biological molecular recognition processes.