bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cytokine regulatory effects on α‐1 proteinase inhibitor expression in NOD mouse islet endothelial cells
Authors: Papaccio Gianpaolo , Pedullà Marcella , Ammendola Eduardo , Todaro Matilde 
Published: October 2004

AbstractHuman microvascular islet endothelial cells (IEC) exhibit specific morphological and functional characteristics that differ from endothelia derived from other organs. One of these characteristics is the expression of α‐1 proteinase inhibitor (Api). In this study, we observed its expression in nonobese diabetic (NOD) mouse IEC, in relation to the occurrence of type 1 diabetes and in response to cytokines, namely IL‐1β and IL‐10. In addition, IL‐10‐deficient NOD mice as well as IL‐10 transgenic NODs were studied. Results have demonstrated that Api expression is: (i) highly specific for IEC in NOD mouse islets, as for humans; (ii) linked to the occurrence of early type 1 diabetes, and iii) strongly modulated by Th1 and Th2 cytokines. In fact, Api mRNA found in pre‐diabetic NOD animals is significantly reduced when they become hyperglycemic and disappears by 25 weeks of age, when mice are diabetic. Moreover, Api mRNAs are never seen in nondiabetic controls. Furthermore, in cultured NOD IEC, Api expression is downregulated by the addition of IL‐1β and is upregulated by IL‐10; it is always absent in IL‐10‐deficient NOD mice and overexpressed in IL‐10 transgenic NODs, thus further supporting that this cytokine upregulates Api expression. J. Cell. Biochem. 85: 123–130, 2002. © 2002 Wiley‐Liss, Inc.
Theoretical auger electron spectra of polymers by density functional theory calculations using model dimers
Authors: Otsuka Takao , Koizumi Seiji , Endo Kazunaka , Kawabe Hiroyuki , Chong Delano P. 
Published: October 2004

AbstractWe propose a new approach for analysis of Auger electron spectra (AES) of polymers by density functional theory (DFT) calculations with the Slater's transition‐state concept. Simulated AES and X‐ray photoelectron spectra (XPS) of four polymers [(CH2CH2)n (PE), (CH2CH(CH3))n (PP), (CH2CH(OCH3))n (PVME), and (CH2CH(COCH3))n (PVMK)] by DFT calculations using model dimers are in a good accordance with the experimental ones. The experimental AES of the polymers can be classified in each range of 1s–2p2p, 1s–2s2p, and 1s–2s2s transitions for C KVV and O KVV spectra, and in individual contributions of the functional groups from the theoretical analysis. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 394–401, 2002
Solvated ensemble averaging in the calculation of partial atomic charges
Authors: Basma M. , Sundara S. , Çalgan D. , Vernali T. , Woods R. J. 
Published: October 2004

AbstractIn the calculation of partial atomic charges, for use in molecular mechanics or dynamics simulations, it is common practice to select only a single conformation for the molecule of interest. For molecules that contain rotatable bonds, it is preferable to compute the charges from several relevant conformations. We present here results from a charge derivation protocol that determines the partial charges by averaging charges computed for conformations selected from explicitly solvated MD simulations, performed under periodic boundary conditions. This approach leads to partial charges that are weighted by a realistic population of conformations and that are suitable for condensed phase simulations. This protocol can, in principle, be applied to any class of molecule and to nonaqueous solvation. Carbohydrates contain numerous hydroxyl groups that exist in an ensemble of orientations in solution, and in this report we apply ensemble averaging to a series of methyl glycosides. We report the extent to which ensemble averaging leads to charge convergence among the various monosaccharides and among the constituent atoms within a given monosaccharide. Due to the large number of conformations (200) in our ensembles, we are able to compute statistically relevant standard deviations for the partial charges. An analysis of the standard deviations allows us to assess the extent to which equivalent atom types may, nevertheless, require unique partial charges. The configurations of the hydroxyl groups exert considerable influence on internal energies, and the limits of ensemble averaged charges are discussed in terms of these properties. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1125–1137, 2001
OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach
Authors: Galano Annia , Alvarez‐Idaboy J. Raúl , Montero Luis A. , Vivier–Bunge Annik 
Published: October 2004

AbstractDensity functional theory (B3LYP and BHandHLYP) and unrestricted second‐order Møller–Plesset (MP2) calculations have been performed using 3‐21G, 6‐31G(d,p), and 6‐311 G(2d,2p) basis sets, to study the OH hydrogen abstraction reaction from alanine and glycine. The structures of the different stationary points are discussed. Ring‐like structures are found for all the transition states. Reaction profiles are modeled including the formation of prereactive complexes, and very low or negative net energy barriers are obtained depending on the method and on the reacting site. ZPE and thermal corrections to the energy for all the species, and BSSE corrections for B3LYP activation energies are included. A complex mechanism involving the formation of a prereactive complex is proposed, and the rate coefficients for the overall reactions are calculated using classical transition state theory. The predicted values of the rate coefficients are 3.54×108 L⋅mol−1⋅s−1 for glycine and 1.38×109 L⋅mol−1⋅s−1 for alanine. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1138–1153, 2001
Solvation in octanol: parametrization of the continuum MST model
Authors: Curutchet Carles , Orozco Modesto , Luque F. Javier 
Published: October 2004

AbstractThis study reports the parametrization of the HF/6‐31G(d) version of the MST continuum model for n‐octanol. Following our previous studies related to the MST parametrization for water, chloroform, and carbon tetrachloride, a detailed exploration of the definition of the solute/solvent interface has been performed. To this end, we have exploited the results obtained from free energy calculations coupled to Monte Carlo simulations, and those derived from the QM/MM analysis of solvent‐induced dipoles for selected solutes. The atomic hardness parameters have been determined by fitting to the experimental free energies of solvation in octanol. The final MST model is able to reproduce the experimental free energy of solvation for 62 compounds and the octanol/water partition coefficient (log Pow) for 75 compounds with a root‐mean‐square deviation of 0.6 kcal/mol and 0.4 (in units of log P), respectively. The model has been further verified by calculating the octanol/water partition coefficient for a set of 27 drugs, which were not considered in the parametrization set. A good agreement is found between predicted and experimental values of log Po/w, as noted in a root‐mean‐square deviation of 0.75 units of log P. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1180–1193, 2001
When anomeric effects collide
Authors: Cramer Christopher J. , Kelterer Anne‐Marie , French Alfred D. 
Published: October 2004

AbstractRotational coordinates about the C(3)–O(4) bonds of 2,4‐dioxaheptane (DOH) and 2,4,6‐trioxaheptane (TOH) are compared at correlated levels of electronic structure theory for gauche and trans orientations of the O(2)–C(3) bonds. TOH has overlapping anomeric effects, while DOH does not. The overlapping stereoelectronic effect shows its largest impact on the length of the O(2)–C(3) bond, which is typically 0.02 Å longer in DOH than in TOH. However, the energetic consequences of the overlapping anomeric effect in TOH are very small, as judged by total conformational energies and analysis of delocalization energies within a natural bond orbital framework. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1194–1204, 2001
The cognitive neuroscience paradigm: A unifying metatheoretical framework for the science and practice of clinical psychology
Authors: Ilardi Stephen S. , Feldman David 
Published: October 2004

AbstractThe emerging discipline of cognitive neuroscience (CN) enjoins the efforts of cognitive psychologists, neuroscientists, computer scientists, clinical neurologists, neurophilosophers, and many others working collaboratively across traditional disciplinary boundaries to elucidate the manner in which the physical operations of the brain give rise to the vast panoply of human mental and behavioral events. The present article describes the foundational tenets of the CN metatheoretical framework and contends that the CN framework is capable of providing a coherent, unifying scientific paradigm for the discipline of clinical psychology. Clinical psychology's adoption of the CN paradigm would facilitate (a) its consilient linkage with the natural sciences, (b) resolution of long‐standing internecine theoretical schisms, and (c) enhanced understanding and treatment of numerous forms of psychopathology. Nevertheless, psychology's historically influential radical behavioral (RB) perspective is not easily reconciled with the CN paradigm. However, unlike CN, RB (a) is not fully consilient with the natural sciences, (b) fails to articulate the proximal causal mechanisms that mediate environment–behavior relations, and (c) engages in “greedy reductionism” in its disavowal of informational levels of complexity in the patterning of neural activity. The article concludes with a discussion of the possibility of theoretical rapprochement between CN and RB. © 2001 John Wiley & Sons, Inc. J Clin Psychol 57: 1067–1088, 2001.
Loss of functional caveolae during senescence of human fibroblasts
Authors: Wheaton Keith , Sampsel Kari , Boisvert Francois‐Michel , Davy Alice , Robbins Stephen , Riabowol Karl 
Published: October 2004

AbstractPrimary human fibroblasts have a finite replicative lifespan in culture that culminates in a unique state of growth arrest, termed senescence that is accompanied by distinct morphological and biochemical alterations. Senescent cell responses to extracellular stimuli are believed to be altered at a point after receptors are bound by ligand, leading to improper integration of the signals which initiate DNA replication. In this study we demonstrate that one of the key organizing membrane microdomains for receptor signaling, caveolae, are absent in senescent cells. A comparison of young and senescent cells indicated that senescent cells contained a higher total amount of caveolins 1 and 2 but had significantly less of both proteins in the caveolar fraction. Additionally, caveolar fractions from senescent cells completely lacked the tyrosine‐kinase activity associated with functional caveolae. Furthermore, old cells had little caveolar protein exposed to the outer plasma membrane as estimated by using an in vivo biotinylation assay and no detectable caveolin 1 on the cell surface when processed for immunofluoresence and confocal microscopy. Together, these data suggest that a fundamental loss of signal integration at the plasma membrane of senescent cells is due to the loss of signaling competent caveolae. © 2001 Wiley‐Liss, Inc.
Sonographic features of xanthogranulomatous pyelonephritis
Authors: Tiu Chui‐Mei , Chou Yi‐Hong , Chiou Hong‐Jen , Lo Chao‐Bao , Yang Jin‐Yi , Chen Kwang‐Kuo , Hsu Ming‐Hui , Wang Jia‐Hwia , Su Yeou‐Gyi , Chang Cheng‐Yen , Yu Chun 
Published: October 2004

AbstractPurposeThe purpose of this study was to describe the various sonographic features of xanthogranulomatous pyelonephritis (XGP).MethodsWe retrospectively reviewed the CT, sonographic, and medical records of patients diagnosed with XGP from January 1981 to December 1998. Twenty‐seven patients for whom XGP was histopathologically confirmed were included in the study. There were 12 men and 15 women, with an age range of 21–86 years (mean, 57 years). All patients had undergone sonography of the kidneys. The renal size, shape, and outline were recorded. The presence of perinephric fluid accumulation, of obstructive uropathy, or of internal echoes in the dilated collecting system and the echotexture of the renal parenchyma were documented.ResultsWe categorized the XGP into 4 groups on the basis of the sonographic features: (1) diffuse hydronephrotic, 12 patients (44%); (2) diffuse parenchymal, 9 patients (33%); (3) diffuse contracted, 4 patients (15%); and (4) segmental or focal, 2 patients (7%). A localized perinephric fluid collection was present in 4 patients (15%). The preoperative sonographic diagnoses were pyonephrosis (n = 14, 52%), renal pelvic tumor with possible associated infection (n = 5, 19%), renal parenchymal mass (n = 2, 7%), hydronephrosis (n = 2, 7%), and chronic pyelonephritis with renal atrophy (n = 4, 15%). XGP was considered a possible diagnosis in only 11 patients (41%).ConclusionsXGP has no specific sonographic features but is suggested by parenchymal thinning and hydronephrosis, sonographic signs of chronic obstructive uropathy caused by stones; echoes in the dilated collecting system; and a perinephric fluid collection. CT, needle biopsy, or both are recommended to further evaluate and confirm sonographically suspected XGP. © 2001 John Wiley & Sons, Inc. J Clin Ultrasound 29:279–285, 2001.
Sonographic evaluation of gallbladder‐wall thickening in hemorrhagic fever with renal syndrome: Prediction of disease severity
Authors: Kim Young Ok , Chun Kyung Ah , Choi Jee Youn , Yoon Sun Ae , Yang Chul Woo , Kim Ki Tae , Bang Byung Kee 
Published: October 2004

AbstractPurposeGallbladder‐wall thickening (GBWT) frequently occurs in patients with hemorrhagic fever with renal syndrome (HFRS), an acute infectious disease caused by hantaviruses. HFRS is manifested by fever, hemorrhage, renal failure, and in many cases gastrointestinal symptoms, such as abdominal pain and tenderness. The clinical significance of GBWT in HFRS has not been reported. The purpose of this study was to investigate the incidence of GBWT and the relationship between GBWT and the severity of HFRS.MethodsWe retrospectively reviewed the medical records and sonograms of 68 patients with HFRS (47 males and 21 females, with an age range of 10–76 years) who underwent abdominal sonography in the acute stage of the disease. We measured the gallbladder‐wall thickness on the sonograms and reviewed other sonographic and radiographic findings. Clinical factors that reflect the severity of HFRS were compared between the patients with GBWT (defined as thickness of 4 mm or more) and those without GBWT.ResultsOf the 68 patients, 29 (43%) had GBWT, which was even and diffuse in all cases. The patients with GBWT had a significantly lower mean platelet count and serum albumin level and significantly higher serum aspartate aminotransferase and serum lactate dehydrogenase levels than did the patients without GBWT. In addition, the incidence of renal failure requiring hemodialysis and the incidences of ascites and pleural effusion were higher in the patients with GBWT than in those without GBWT. Five patients died of HFRS; all 5 had GBWT (p = 0.011 for comparison with patients without GBWT).ConclusionsOur results suggest that the sonographic measurement of gallbladder‐wall thickness during the acute stage of HFRS is useful for determining the severity of HFRS. © 2001 John Wiley & Sons, Inc. J Clin Ultrasound 29:286–289, 2001.
Sonographic findings in intussusception caused by a lipoma in the muscular layer of the colon
Authors: Alkim Canan , Şaşmaz Nurgül , Alkim Hüseyin , Çağlikülekçi Mehmet , Turhan Nesrin 
Published: October 2004

AbstractLipomas of the gastrointestinal tract are uncommon tumors. Almost all gastrointestinal lipomas are submucosal or subserosal, and most are asymptomatic, although they may cause abdominal pain, bowel obstruction, and gastrointestinal bleeding. The diagnosis of gastrointestinal lipoma is usually not made before surgery. We present a case of colonic intussusception caused by a lipoma that was located in the muscular layer of the colon and was diagnosed preoperatively by sonography. The descending colon appeared edematous and thick. There was layering within the lumen of the descending colon, mimicking the target sign. At the distal end of the intussusception, there was a 4.7‐cm, hyperechoic, rounded lesion with a smooth margin. Surgery revealed a polypoid mass originating from the splenic flexure and causing intussusception of the colon, and pathologic analysis confirmed the diagnosis of lipoma of the muscular layer of the colon. © 2001 John Wiley & Sons, Inc. J Clin Ultrasound 29:298–301, 2001.
Power Doppler sonography of the kidney: Effect of Valsalva's maneuver
Authors: Takano Ryuichi , Ando Yasuhiro , Taniguchi Nobuyuki , Itoh Kouichi , Asano Yasushi 
Published: October 2004

AbstractPurposeIt has been reported that an intra‐abdominal pressure (IAP) above 15 mm Hg may cause oliguria and that an IAP above 25 mm Hg may cause anuria. Because Valsalva's maneuver yields an IAP exceeding 180 mm Hg, it is presumed to affect renal perfusion. We evaluated the ability of power Doppler sonography to depict the changes in renal blood flow during Valsalva's maneuver.MethodsSeven healthy men aged 21–24 years and 1 50‐year‐old man with massive ascites participated in the study. With each healthy subject lying in a supine position, longitudinal power Doppler sonograms of the kidney were obtained and analyzed semiquantitatively during Valsalva's maneuver. Also, in the patient with massive ascites, power Doppler sonography was performed before and after paracentesis.ResultsAlong with an increase in IAP, monitored as expiratory pressure during Valsalva's maneuver, power Doppler signals decreased as indicated by both visual impression and computer scores. In the patient with massive ascites, signal intensity increased after paracentesis.ConclusionsOur results demonstrated that an increase in IAP within the physiologic range affects renal perfusion and that power Doppler sonography depicts semiquantitatively the change in renal blood flow. © 2001 John Wiley & Sons, Inc. J Clin Ultra‐ 29:384–388, 2001.
Ultrasound‐guided piezoelectric extracorporeal shock wave lithotripsy of parotid gland calculi
Authors: Külkens Christoph , Quetz Joachim U. , Lippert Burkard M. , Folz Benedikt J. , Werner Jochen A. 
Published: October 2004

AbstractPurposeThe introduction of piezoelectric extracorporeal shock wave lithotripsy (ESWL) has changed therapy for salivary calculi. This method seems especially suitable for treating calculi in the parotid gland. The purpose of this study was to evaluate ESWL in patients with such calculi.MethodsFrom November 1990 to November 1999, all patients with sialolithiasis of the parotid gland were treated with piezoelectric ESWL. Three different lithotriptors were used over the 9‐year study period. Results were analyzed according to both the patients' clinical status and follow‐up sonograms.ResultsIn total, 42 patients (21 women, 21 men; mean age, 59 years) were treated with ESWL. The mean follow‐up period for all patients was 63 months (range, 7–96 months). After ESWL had been performed, 71% of the patients were completely free of symptoms, and 21% had marked improvement of their symptoms. Sixty‐seven percent were completely free of calculi, and 27% had a marked reduction in the size of their calculi. Adverse effects of ESWL included temporary glandular swelling (4 patients), blood‐tinged salivary secretions (9 patients), petechiae on the skin surface (3 patients), and parotid abscess (1 patient).ConclusionsESWL is an outpatient procedure that can be performed without anesthesia and with scarcely any discomfort for patients. Conventional surgical procedures such as subtotal parotidectomy may be almost entirely replaced by ESWL because of the excellent treatment results and a very low rate of complications associated with ESWL. ESWL should be considered the treatment of choice for parotid calculi. © 2001 John Wiley & Sons, Inc. J Clin Ultrasound 29:389–394, 2001.
On disjoint configurations in infinite graphs
Authors: Andreae Thomas 
Published: October 2004

AbstractFor a graph A and a positive integer n, let nA denote the union of n disjoint copies of A; similarly, the union of ℵ0 disjoint copies of A is referred to as ℵ0A. It is shown that there exist (connected) graphs A and G such that nA is a minor of G for all nϵℕ, but ℵ0A is not a minor of G. This supplements previous examples showing that analogous statements are true if, instead of minors, isomorphic embeddings or topological minors are considered. The construction of A and G is based on the fact that there exist (infinite) graphs G1, G2,… such that Gi is not a minor of Gj for all i ≠ j. In contrast to previous examples concerning isomorphic embeddings and topological minors, the graphs A and G presented here are not locally finite. The following conjecture is suggested: for each locally finite connected graph A and each graph G, if nA is a minor of G for all n ϵ ℕ, then ℵ0A is a minor of G, too. If true, this would be a far‐reaching generalization of a classical result of R. Halin on families of disjoint one‐way infinite paths in graphs. © 2002 Wiley Periodicals, Inc. J Graph Theory 39: 222–229, 2002; DOI 10.1002/jgt.10016
Minimizer graphs for a class of extremal problems
Authors: Ismailescu Dan , Stefanica Dan 
Published: October 2004

AbstractWe consider the family of graphs with a fixed number of vertices and edges. Among all these graphs, we are looking for those minimizing the sum of the square roots of the vertex degrees. We prove that there is a unique such graph, which consists of the largest possible complete subgraph plus only one other non‐isolated vertex. The same result is proven for any power of the vertex‐degrees less than one half. © 2002 Wiley Periodicals, Inc. J Graph Theory 39: 230–240, 2002; DOI 10.1002/jgt.10025
Forcing a Kr minor by high external connectivity
Authors: Kühn Daniela 
Published: October 2004

AbstractWe investigate the minimal structure a graph H is required to have if H is to force a large complete minor in any graph in which it has high external connectivity. We observe that such graphs H must contain a large binary tree with some small additions, and prove that some canonical instances of this structure are also sufficient to force a large complete minor. © 2002 Wiley Periodicals, Inc. J Graph Theory 39: 241–264, 2002; DOI 10.1002/jgt.10026