bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation and Characterization of a Bifunctional Aldolase/Kinase Enzyme: A More Efficient Biocatalyst for CC Bond Formation
Authors: Iturrate Laura , Sánchez‐Moreno Israel , Oroz‐Guinea Isabel , Pérez‐Gil Jesús , García‐Junceda Eduardo 
Published: March 2010

AbstractA bifunctional aldolase/kinase enzyme named DLF has been constructed by gene fusion through overlap extension. This fusion enzyme consists of monomeric fructose‐1,6‐bisphosphate aldolase (FBPA) from Staphylococcus carnosus and the homodimeric dihydroxyacetone kinase (DHAK) from Citrobacter freundii CECT 4626 with an intervening linker of five amino acid residues. The fusion protein was expressed soluble and retained both kinase and aldolase activities. The secondary structures of the bifunctional enzyme and the parental enzymes were analyzed by circular dichroism (CD) spectroscopy to study the effect of the covalent coupling of the two parent proteins on the structure of the fused enzyme. Because S. carnosus FBPA is a thermostable protein, the effect of the fusion on the thermal stability of the bifunctional enzyme has also been studied. The proximity of the active centers in the fused enzyme promotes a kinetic advantage as the 20‐fold increment in the initial velocity of the overall aldol reaction indicates. Experimental evidence supports that this increase in the reaction rate can be explained in terms of substrate channeling.
ChemInform Abstract: Investigations in the Systems Sr—As—O—X (X: H, Cl): Preparation and Crystal Structure Refinements of the Anhydrous Arsenates(V) Sr3(AsO4)2, Sr2As2O7, α‐ and β‐SrAs2O6, and of the Apatite‐Type Phases Sr5(AsO4)3OH and Sr5(AsO4)3Cl.
Authors: Weil Matthias , Dordevic Tamara , Lengauer Christian L. , Kolitsch Uwe 
Published: February 2010

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Vibrational and Thermodynamic Properties of 2,2′,4,4′,6,6′‐Hexanitroazobenzene and Its Derivatives: A Density Functional Theory Study
Authors: Liu Yan , Gong Xuedong , Wang Guixiang , Wang Lianjun , Xiao Heming 
Published: March 2010

AbstractHNAB (2,2′,4,4′,6,6′‐hexanitroazobenzene) and its derivatives have been optimized to obtain their molecular geometries and electronic structures by using density functional theory at the B3LYP/6‐31G* level. Their IR spectra have been computed and assigned by vibrational analysis. The strongest peaks are attributed to the NO asymmetric stretching of nitro groups. Its central position moves towards higher frequency as the number of nitro groups increases. It is obvious that there is hydrogen‐bonding between amino and nitro groups in amino derivatives. Based on the frequencies scaled by 0.96 and the principle of statistical thermodynamics, the thermodynamic properties have been evaluated, which are linearly related with the temperature, as well as the number of nitro and amino groups, respectively, obviously showing good group additivity. And the thermodynamic functions for the nitro derivatives increase much more than those for the amino derivatives with the increase of the number of substituents. The values of heat of formation (HOF) for the nitro derivatives increase gradually with n, while those of the amino derivatives decrease smoothly with n.
Atom‐economy Synthesis of N‐Substituted Carbamate from Urea Derivative and Dimethyl Carbonate Catalyzed by La/SiO2: Characterization and Activity
Authors: Guo Xiaoguang , Shang Jianpeng , Li Jian , Wang Liguo , Ma Yubo , Shi Feng , Deng Youquan 
Published: March 2010

AbstractA series of silica gel immobilized lanthanum catalysts were prepared for the atom‐economy synthesis of N‐substituted carbamates from urea derivatives and dimethyl carbonate. The La/SiO2 catalysts with lanthanum loadings varied from 1.3 wt% to 8.5 wt% were characterized by AES, BET, XRD, TEM, FT‐IR, XPS and TPD. According to the characterization, lanthanum species with particle sizes of 5–10 nm on the surface of silica gel were formed. The catalysts were all amorphous and the surface areas were 336.5–530.2 m2/g. NH3‐TPD analysis showed that all samples exhibited similar acid strength with different acid amounts. FT‐IR measurement indicated that the component of lanthanum species on the catalyst surface were La(OH)3, LaOOH and hydrated La2O3. Also, the peak value of the absolute amount of LaOOH was obtained with 4.3 wt% lanthanum loading. The BET surface area decreased dramatically when the lanthanum loading was above 4.3 wt%. In consideration of the results obtained from the catalytic reactions, it could be concluded that LaOOH was the possible active species and high surface area was important for the high catalytic activity.
Catalytic Performances of Binder‐free ZSM‐5 Catalysts for Dehydration of Crude Methanol to Dimethyl Ether
Authors: Wang Jing , Cheng Xiaowei , Guo Juan , Chen Xiaocheng , He Heyong , Long Yingcai 
Published: March 2010

AbstractA series of binder‐free ZSM‐5 catalysts and a binder‐containing catalyst were prepared and characterized with X‐ray diffraction (XRD), X‐ray fluorescence (XRF), 27Al magic‐angle spinning (MAS) nuclear magnetic resonance (NMR), N2 sorption and ammonia temperature‐programmed deposition (TPD) methods. The catalytic activity and selectivity in the dehydration of crude methanol to dimethyl ether (DME) were evaluated in a fixed‐bed reactor for the catalysts. The outstanding structural characters such as high zeolite contents, sufficiently open channels and richness in mesopores have been proved on these binder‐free catalysts. The influence of the solid‐acidity, which is closely related to the framework silica alumina ratio (SAR) of the catalysts, on the catalytic properties has been discussed. A binder‐free catalyst with a better potential in application has been selected for its high activity and selectivity, long life‐time and non‐sensitivity to water contents in the feed. The reason for its excellent performance of the catalyst was discussed.
Interaction between (1,1′‐Binaphthalene)‐2,2′‐diol and Lecithin Liposome
Authors: Chen Liuhua , Gan Lihua , An Shenjing , Zhu Dazhang , Xu Zijie , Hao Zhixian , Chen Longwu 
Published: March 2010

AbstractThe interaction between (1,1′‐binaphthalene)‐2,2′‐diol (BINOL) and lecithin liposome was studied by UV‐Vis, fluorescence and 1H NMR spectroscopies. BINOL can obviously associate with lecithin liposome and the preferential binding site of BINOL with lecithin liposome is located in the headgroup region. The hydrogen bond and electrostatic interaction should exist in BINOL/liposome system, which restricts intra‐annular rotation of naphthol moieties. Therefore, the fluorescence intensity of BINOL increases when a small quantity of liposome is added into the system. The partition coefficient KD between the lecithin liposome and the aqueous phase is 310.9. With the increase of BINOL concentration, the micropolarity (I1/I3) and membrane fluidity of liposome decreased, while the viscosity of membrane increased.
Star‐shaped Organic Molecules That Comprise a 1,3,5‐Trisubstituted Benzene Core and Three Oligoaryleneethynylene Arms as Light‐emitting Materials
Authors: Liu Yanling , Feng Jikang , Ran Xueqin , Ren Aimin 
Published: March 2010

AbstractStar‐shaped rigid molecules that comprise a 1,3,5‐trisubstitued benzene core and three oligoaryleneethynylene arms have great potential application in organic light‐emitting devices (OLEDs). Their optical and electronic properties are tuned by the star‐shaped molecular size. To reveal the relationship between the properties and structures, we perform a systemic investigation for these organic molecules. The ground and excited state molecules are studied using density functional theory (DFT), the ab initio HF, and the single excitation configuration interaction (CIS), respectively. And the electronic absorption and emission spectra are investigated with time‐dependent density functional theory (TDDFT) and Zerner's intermediate neglect of differential overlap (ZINDO) methods. The results show that the HOMOs, LUMOs, energy gaps, ionization potentials (IP), electron affinities (EA), absorption and emission spectra are controlled by the star‐shaped molecular size, which favor the hole and electron injection into OLEDs. With increasing the molecular conjugated length, the absorption and emission spectra exhibit red shifts to some extent and are in good agreement with the experimental ones. Also, the calculated emission spectra range from 330 to 440 nm. All the calculated show that the star‐shaped molecules are promising as blue light emitting materials
Mixed Ligand Palladium(II) Complex with NS‐Bidentate S‐Allyldithiocarbazate Schiff Base: Synthesis, Spectral Characterization, Crystal Structure and Decoding Intermolecular Interactions with Hirshfeld Surface Analysis
Authors: Takjoo Reza , Takjoo Rozita , Yazdanbakhsh Mohammad , Aghaei kaju Amir , Chen Yaguang 
Published: March 2010

AbstractA new mixed ligand palladium(II) complex with bidentate NS‐donor chelate, [PdCl(PPh3)L] (L: S‐allyl β‐N‐(benzylidene)dithiocarbazate), has been prepared and characterized using single crystal X‐ray diffraction and spectroscopic (electronic, IR, 1H NMR and 13C NMR) techniques. The shorter PdP bond distance, 2.255(7) Å, than the sum of the single bond radii for palladium and phosphorus (2.41 Å), showed partial double bond character. Visualizing and exploring the crystal structure using Hirshfeld surface analysis showed the presence of π··· π, N··· π, CH··· π, Cl···H and weak CH···S interactions as most important intermolecular interactions in the crystal lattice, which are responsible to extension of the supramolecular network of the compound and stabilization of the crystal structure.
Rhodium‐catalyzed Asymmetric Ring‐opening Reactions of N‐Boc‐azabenzonorbornadiene with N‐Substituted Piperazine Nucleophiles
Authors: Wu Yuhua , Yang Dingqiao , Zeng Heping , Xie Lei , Wu Lihuan , Mo Haihong , Zuo Xiongjun 
Published: March 2010

AbstractAsymmetric ring‐opening reactions of N‐Boc‐azabenzonorbornadiene with N‐substituted piperazine nucleophiles in the presence of 5 mol% of [Rh(COD)Cl]2 and 10 mol% of chiral ligand, (R,S)‐PPF‐P‐t‐Bu2, gave the corresponding 1,2‐diamine product in moderate to excellent yields (up to 95%) with reasonable enantiomeric excesses (up to 70% ee). The results showed that the nature of ligands had significant influence on the yields and the enantiomeric excesses.
Synthesis and Pharmacological Evaluation of Some Novel Imidazo[2,1‐b][1,3,4]thiadiazole Derivatives
Authors: Kumar Parvin 
Published: March 2010

AbstractSynthesis of bis‐1,3‐{6′‐arylimidazo[2,1‐b][1,3,4]thiadiazol‐2‐yl}‐1,2,2‐trimethylcyclopentane (3), bis‐1,3‐{thiadiazolo[2′,3′:2,1]imidazo[4,5‐b]quinoxalinyl}‐1,2,2‐trimethylcyclopentane (5) has been achieved by the reaction of bis‐(5′‐amino‐1′,3′,4′‐thiadiazolyl)‐1,2,2‐trimethylcyclopentane with α‐haloketones, 2,3‐dichloroquinoxaline respectively. Bromination of compound 3 furnished bis‐1,3‐{5′‐bromo‐6′‐arylimidazo[2,1‐b][1,3,4]thiadiazol‐2‐yl}‐1,2,2‐trimethylcyclopentane (4). The structural assignment of these compounds was supported by IR, 1H NMR and elemental analysis data. The antimicrobial, anti‐inflammatory and antifungal activities of some of the compounds have also been evaluated.
Al(H2PO4)3 as an Efficient and Reusable Catalyst for One‐pot Three‐component Synthesis of α‐Amino Phosphonates under Solvent‐free Conditions
Authors: Maghsoodlou Malek Taher , Habibi‐Khorassani Sayyed Mostafa , Heydari Reza , Hazeri Nourollah , Sajadikhah Seyed Sajad , Rostamizadeh Mohsen 
Published: March 2010

AbstractSynthesis of α‐amino phosphonates is described under solvent‐free conditions at 100°C from reaction between aldehydes and amines in the presence of trialkyl phosphites using Al(H2PO4)3 as an efficient and reusable heterogeneous catalyst. The advantages of this procedure are short reaction time, flexibility and having high to excellent yields.
Copper(II) and 2,2′‐Biimidazole‐promoted Novel Reaction of 4,4,4‐Trifluoro‐1‐phenylbutane‐1,3‐diones with Iodobenzene Diacetate
Authors: Zhou Chunmei , Zeng Runsheng , Zou Jianping 
Published: March 2010

AbstractA new and efficient way was developed to carry out the reaction of 4,4,4‐trifluoro‐1‐phenylbutane‐1,3‐dione with iodobenzene diacetate under the assistance of Cu(II) and 2,2′‐biimidazole at a low temperature in excellent yield. 2‐Acetoxyacetophenone was obtained unexpectedly.
Template‐synthesized Protein Nanotubes with Controlled Size Based on Layer‐by‐layer Method
Authors: Tao Caihong , Yang Shengrong , Zhang Junyan 
Published: March 2010

AbstractThe protein nanotubes fabricated by a layer‐by‐layer deposition method using the porous alumina membrane as the template were described. The combination of the template method and the layer‐by‐layer assembly technique for the fabrication of protein nanotubes presented simplicity and versatility. The nanotubes composed of two kinds of proteins (bovine serum albumin and hemoglobin lyophilized bovine erythrocytes) with different sizes could be synthesized through this method. The outside diameter of the obtained nanotubes was determined by the diameter of the pores of the template. And the wall thickness of the protein nanotubes increased with the increase of the number of protein layers that made up of the walls of nanotubes. Such biodegradable nanotubes with good biocompatibility should be useful for in vivo applications.
Detachment of the basal body from the sperm tail is not required to organize functional centrosomes during Drosophila embryogenesis
Authors: Riparbelli Maria Giovanna , Callaini Giuliano 
Published: March 2010

AbstractThe formation of the zygotic spindle at fertilization requires in most animals the central contribution of the sperm‐inherited basal body that recruits maternal cytoplasmic components to assemble a functional centrosome. Although as a general rule the entire sperm enters the egg during fertilization, the fate of the sperm basal body during further development is not clear. We have found that the sperm centriole remains linked to the apical end of the sperm tail through early development and is able to duplicate and recruit maternal components to assemble functional centrosomes. The basal body, therefore, needs not to be detached from the sperm tail to perform its centriole function during organization of the centrosome. By cellularization and early gastrulation the sperm centriole has lost both these capabilities. The persistence of the sperm axoneme and its close association with its centriole during development presents a paradox. If the sperm centriole is a true basal body, then the widespread idea that cells with a primary cilium must resorb the axoneme and transform the basal body into a centriole to enable proper mitosis will have to be re‐examined. © 2010 Wiley‐Liss, Inc.
Circulating biomarkers for vascular endothelial growth factor inhibitors in renal cell carcinoma
Authors: Zurita Amado J. , Jonasch Eric , Wu Hua‐Kang , Tran Hai T. , Heymach John V. 
Published: March 2010

AbstractIn recent years, there has been significant progress in the clinical development and application of antiangiogenic therapies in renal cell carcinomas, particularly inhibitors of the vascular endothelial growth factor (VEGF) pathway. Despite this progress, no validated methods are currently available for identifying which patients are most likely to respond to treatment or experience toxic effects, selecting the optimal dose, or determining whether the intended molecular target has been effectively inhibited. However, recent studies have suggested that some of the biomarkers currently under investigation in clear cell renal cell carcinoma for VEGF pathway inhibitors are promising. These biomarkers include circulating proangiogenic factors and receptors; markers of hypoxia and endothelial damage; and cellular populations in peripheral blood, such as circulating endothelial cells. Further preclinical and translational validation studies are still needed to determine their practical utility in the clinical setting. Cancer 2009;115(10 suppl):2346‐54. © 2009 American Cancer Society.
Innovations and challenges in renal cancer: Summary statement from the Third Cambridge Conference
Authors: Atkins Michael B. , Bukowski Ronald M. , Escudier Bernard J. , Figlin Robert A. , Hudes Gary H. , Kaelin William G. , Linehan W. Marston , McDermott David F. , Mier James W. , Pedrosa Ivan , Rini Brian I. , Signoretti Sabina , Sosman Jeffrey A. , Teh Bin Tean , Wood Christopher G. , Zurita Amado J. , King Laura 
Published: March 2010

AbstractThe Third Cambridge Conference on Innovations and Challenges in Renal Cancer, a symposium held in Cambridge, Massachusetts, June 27‐28, 2008, and chaired by Michael B. Atkins, was convened to discuss the current state of knowledge in the field, critique new data, stimulate communication among those involved in basic and clinical research, and offer recommendations for further study. Four main topics were discussed: genetics and molecular biology of renal cell cancer, staging and prognosis, systemic therapy, and correlative science and biomarkers in stage IV disease. The conference format combined brief presentations with extended periods of discussion. The conclusions and recommendations are summarized in this paper and presented in more detail in the individual papers that follow. Cancer 2009;115(10 suppl):2247‐51. © 2009 American Cancer Society.
Hereditary kidney cancer
Authors: Linehan W. Marston , Pinto Peter A. , Bratslavsky Gennady , Pfaffenroth Elizabeth , Merino Maria , Vocke Cathy D. , Toro Jorge R. , Bottaro Donald , Neckers Len , Schmidt Laura S. , Srinivasan Ramaprasad 
Published: March 2010

AbstractKidney cancer is not a single disease; it is comprised of several different types of cancer, each with a different histology, with a different clinical course, caused by a different gene, and responding differently to therapy. The VHL gene is the gene for the hereditary cancer syndrome, von Hippel‐Lindau, as well as for the common form of sporadic, noninherited, clear cell kidney cancer. Understanding the VHL‐hypoxia inducible factor (HIF) pathway has provided the foundation for the development of several agents targeting this pathway, such as sunitinib, sorafenib, and temsirolimus. Hereditary papillary renal carcinoma (HPRC) is a hereditary renal cancer syndrome in which affected individuals are at risk for the development of bilateral, multifocal, type 1 papillary renal cell carcinoma. The genetic defect underlying HPRC is MET, the cell surface receptor for hepatocyte growth factor. Mutations of MET also have been identified in a subset of tumors from patients with sporadic type 1 papillary renal cell carcinoma (RCC). Clinical trials targeting the MET pathway are currently underway in patients with HPRC and in patients with sporadic (nonhereditary) papillary kidney cancer. The BHD gene (also known as folliculin or FLCN) is the gene for Birt‐Hogg‐Dube syndrome, an autosomal‐dominant genodermatosis associated with a hereditary form of chromophobe and oncocytic, hybrid RCC. Preclinical studies are underway targeting the BHD gene pathway in preparation for clinical trials in Birt‐Hogg‐Dube and sporadic chromophobe RCC. Patients with hereditary leiomyomatosis RCC (HLRCC) are at risk for developing cutaneous and uterine leiomyomas and a very aggressive type of RCC. HLRCC is characterized by germline mutation of the Krebs cycle enzyme, fumarate hydratase (FH). Studies of the tricarboxylic acid cycle and the VHL‐HIF pathways have provided the foundation for therapeutic approaches in patients with HLRCC‐associated kidney cancer as well as other hereditary and sporadic forms of RCC. Cancer 2009;115(10 suppl):2252‐61. Published 2009 by the American Cancer Society.
The current state of brachytherapy nomograms for patients with clinically localized prostate cancer
Authors: Nguyen Carvell T. , Zelefsky Michael J. , Kattan Michael W. 
Published: March 2010

AbstractFor men diagnosed with clinically localized prostate cancer, definitive therapy with radical prostatectomy, external beam radiation therapy, or brachytherapy offers a high chance of cure. Currently, there are insufficient data to recommend 1 treatment approach over another, leaving physicians and patients to decide based on their own biases and preferences. Prediction tools, such as nomograms and probability tables, have been created as decision aids to facilitate patient counseling and decision making. Nomograms in particular can assess the therapeutic efficacy of a given therapy by providing individualized estimates of the risk of failure after treatment. The authors performed a comprehensive literature review to identify nomograms assessing the efficacy of brachytherapy in patients with clinically localized prostate cancer, and found a paucity of such models. Analysis of currently available brachytherapy nomograms reveals suboptimal predictive power compared with models based on other treatment modalities. The purpose of this review is to spur development of new and more accurate prediction tools for predicting outcomes after brachytherapy, offering physicians and patients the opportunity to equally assess the efficacy of all available treatment modalities for clinically localized prostate cancer. Cancer 2009;115(13 suppl):3121–7. © 2009 American Cancer Society.
Decision support systems for morphology‐based diagnosis and prognosis of prostate neoplasms
Authors: Montironi Rodolfo , Cheng Liang , Lopez‐Beltran Antonio , Mazzucchelli Roberta , Scarpelli Marina , Bartels Peter H. 
Published: March 2010

AbstractRecent advances in computer and information technologies have allowed the integration of both numeric and non‐numeric data, that is, descriptive, linguistic terms. This has led at 1 end of the spectrum of technology development to machine vision based on image understanding and, at the other, to decision support systems. This has had a significant impact on our capability to derive diagnostic and prognostic information from histopathological material with prostate neoplasms. Cancer 2009;115(13 suppl):3068–77. © 2009 American Cancer Society.