bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reduced basis set for the gold atom in cluster complexes
Authors: Basch Harold , Ratner Mark A. 
Published: March 2004

AbstractTo extend the metal cluster size used in interfacing between bulk metals and molecules in ab initio studies of molecular electronics and chemisorption, a reduced size atomic orbital basis set for the gold atom has been generated. Based on the SKBJ relativistic effective core potential set, the three component 5d Gaussian orbital basis set is completely contracted. Comparisons between the full and reduced basis set in Au atom clusters and cluster complexes for geometry, bond distances, dipole moments, atomic charges, spin, bond dissociation energies, lowest energy harmonic frequencies, electron affinities, ionization energies, and density of states distributions show the contracted set to be a viable replacement for the full basis set. This result is obtained using both the B3LYP and BPW91 exchange‐correlation potentials in density functional theory. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 899–906, 2004
The arsenic clusters Asn (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities
Authors: Zhao Yi , Xu Wenguo , Li Qianshu , Xie Yaoming , Schaefer Henry F. 
Published: March 2004

AbstractThe molecular structures, electron affinities, and dissociation energies of the Asn/As (n = 1–5) species have been examined using six density functional theory (DFT) methods. The basis set used in this work is of double‐ζ plus polarization quality with additional diffuse s‐ and p‐type functions, denoted DZP++. These methods have been carefully calibrated (Chem Rev 2002, 102, 231) for the prediction of electron affinities. The geometries are fully optimized with each DFT method independently. Three different types of the neutral‐anion energy separations reported in this work are the adiabatic electron affinity (EAad), the vertical electron affinity (EAvert), and the vertical detachment energy (VDE). The first dissociation energies De(Asn−1‐As) for the neutral Asn species, as well as those De(As‐As) and De (Asn−1‐As−) for the anionic As species, have also been reported. The most reliable adiabatic electron affinities, obtained at the DZP++ BLYP level of theory, are 0.90 (As), 0.74 (As2), 1.30 (As3), 0.49 (As4), and 3.03 eV (As5), respectively. These EAad values for As, As2, and As4 are in good agreement with experiment (average absolute error 0.09 eV), but that for As3 is a bit smaller than the experimental value (1.45 ± 0.03 eV). The first dissociation energies for the neutral arsenic clusters predicted by the B3LYP method are 3.93 eV (As2), 2.04 eV (As3), 3.88 eV (As4), and 1.49 eV (As5). Compared with the available experimental dissociation energies for the neutral clusters, the theoretical predictions are excellent. Two dissociation limits are possible for the arsenic cluster anions. The atomic arsenic results are 3.91 eV (As → As− + As), 2.46 eV (As → As + As), 3.14 eV (As → As + As), and 4.01 eV (As → As + As). For dissociation to neutral arsenic clusters, the predicted dissociation energies are 2.43 eV (As → As2 + As−), 3.53 eV (As → As3 + As−), and 3.67 eV (As → As4 + As−). For the vibrational frequencies of the Asn series, the BP86 and B3LYP methods produce good results compared with the limited experiments, so the other predictions with these methods should be reliable. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 907–920, 2004
Geometric algorithms for the conformational analysis of long protein loops
Authors: Cortés J. , Siméon T. , Remaud‐Siméon M. , Tran V. 
Published: March 2004

AbstractThe efficient filtering of unfeasible conformations would considerably benefit the exploration of the conformational space when searching for minimum energy structures or during molecular simulation. The most important conditions for filtering are the maintenance of molecular chain integrity and the avoidance of steric clashes. These conditions can be seen as geometric constraints on a molecular model. In this article, we discuss how techniques issued from recent research in robotics can be applied to this filtering. Two complementary techniques are presented: one for conformational sampling and another for computing conformational changes satisfying such geometric constraints. The main interest of the proposed techniques is their application to the structural analysis of long protein loops. First experimental results demonstrate the efficacy of the approach for studying the mobility of loop 7 in amylosucrase fromNeisseria polysaccharea.The supposed motions of this 17‐residue loop would play an important role in the activity of this enzyme. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 956–967, 2004
Special issue on the cognitive revolution in clinical psychology: Beyond the behavioral approach—Introductory remarks
Authors: David Daniel 
Published: March 2004

AbstractRecently, the impact of the cognitive revolution on the clinical field has been challenged by behavioral professionals at both theoretical and practical levels. This article is a brief introduction to a special issue of the Journal of Clinical Psychology and presents the objectives and the structure of this special issue. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
The information‐processing approach to the human mind: Basics and beyond
Authors: David Daniel , Miclea Mircea , Opre Adrian 
Published: March 2004

AbstractCognitive psychology attempts to understand the nature of the human mind by using the information‐processing approach. In this article, the fundamentals of the cognitive approach will be presented. It will be argued that the human mind can be described at three levels—computational, algorithmic–representational, and implementational—and that the cognitive approach has both important theoretical and practical/clinical implications. Finally, it will be suggested that the study of cognitive psychology can provide a foundation for other fields of social science, including the field of clinical psychology. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
The role of cognition in classical and operant conditioning
Authors: Kirsch Irving , Lynn Steven Jay , Vigorito Michael , Miller Ralph R. 
Published: March 2004

AbstractFor the past 35 years, learning theorists have been providing models that depend on mental representations, even in their most simple, deterministic, and mechanistic approaches. Hence, cognitive involvement (typically thought of as expectancy) is assumed for most instances of classical and operant conditioning, with current theoretical differences concerning the level of cognition that is involved (e.g., simple association vs. rule learning), rather than its presence. Nevertheless, many psychologists not in the mainstream of learning theory continue to think of cognitive and conditioning theories as rival families of hypotheses. In this article, the data pertaining to the role of higher‐order cognition in conditioning is reviewed, and a theoretical synthesis is proposed that provides a role for both automatic and cognitively mediated processes. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Cognition and the cognitive revolution in psychotherapy: Promises and advances
Authors: Dowd E. Thomas 
Published: March 2004

AbstractThis article describes the history and conceptual changes wrought by the gradual development from psychodynamic therapy to behavioral therapy to cognitive–behavioral therapy. The practical impact of the cognitive revolution on psychotherapy theory and practice is discussed. The empirical status of behavioral therapy and cognitive–behavioral therapy is summarized, and suggestions for future changes are made. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Cognitive and behavioral treatments for anxiety disorders: A review of meta‐analytic findings
Authors: Deacon Brett J. , Abramowitz Jonathan S. 
Published: March 2004

AbstractBehavioral and cognitive psychotherapies are the most widely studied psychological interventions for anxiety disorders. In the present article, the results of ten years of meta‐analytic studies on psychotherapies for the various anxiety disorders are reviewed and the relative effectiveness of cognitive and behavioral therapeutic methods is examined. Meta‐analytic results support the effectiveness of combined cognitive and behavioral approaches for anxiety disorders. Pure behavioral therapies also are effective and appear to work as well as combined treatment for some disorders. Due to the small number of outcome studies involving pure cognitive treatments, reliable conclusions about the effectiveness of this approach cannot be offered. Additional theoretical and practical considerations are discussed. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Commentary: The evolution of evidence‐based psychotherapy
Authors: Redd William H. 
Published: March 2004

AbstractWhat has been identified as a revolution actually represents an evolution, stemming directly from the basic behavioral tenets of the early to mid 20th century. Cognitive‐behavior approaches within behavior therapy are not really new. As early as the 1950s a substantial number of behaviorists saw a clear role for cognition and relied on hypothetical constructs to explain behavior. There are at least two major challenges for cognitive‐behavior approaches. The first is the assurance of the validity and reliability of the measurement of both outcome and the cognitive factors that are presumed to serve as mediators of the observed effects. As the cognitive factors being studied become more complex, the measurement of the variables of interest becomes more difficult. The second challenge is to be open to new paradigms and approaches that may bring into question well‐established concepts. The preeminence of the cognitive‐behavioral approach is directly related to the fact that its concepts and methods can be subjected to empirical scrutiny. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Special issue on the cognitive revolution in clinical psychology: Beyond the behavioral approach—Conclusions: Toward an evidence‐based psychology and psychotherapy
Authors: David Daniel 
Published: March 2004

AbstractIntegrating the criticisms of the cognitive psychology approach offered by behavioral oriented professionals, as well as the information offered in this special issue of the Journal of Clinical Psychology, the article presents an overview of the theoretical and practical implications of the cognitive revolution on the clinical field and discusses the unique contribution of this approach beyond the contribution of the behavioral approach. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Anesthesia technique for outpatient facial laser resurfacing
Authors: Ramos‐Zabala Agustín , Pérez‐Mencía M.T. , Fernández‐García R. , Cascales‐Núñez M.R. 
Published: March 2004

AbstractBackground and ObjectivesMultiple anesthetic approaches exist for full‐face laser resurfacing. The purpose of this study was to describe an anesthesia technique based on combination of eutectic mixture local anesthetics (EMLA) and remifentanil sedation, that can be utilized by anesthesiologists in the ambulatory environment.Study Design/Materials and MethodsFifty patients elected for facial laser resurfacing. All patients received topical anesthesia in full face with EMLA cream at 60 minutes (min) before laser procedure. On arrival at the operating room, intravenous (IV) sedation was administered with remifentanil (0.20 mcg/kg/minute), midazolam (1.5– 2 mg bolus IV), and propofol infusion (0.5–1 mg/kg/hour). The subsequent infusion rate of remifentanil was varied to maintain an adequate level of sedation and analgesia. Five minutes before the operation conclusion, the sedation infusion was discontinued. Patients were discharged after achieving a minimum criteria for recovery.ResultsAlmost all the patients were successfully anesthetized by this combination technique, only four patients needed complementary anesthesia with regional nerve blockade. The mean level of sedation scored 2–3 on the Ramsay scale. The mean discharge time was 55 minutes. No complications were observed.ConclusionsThe use of a combination of topical EMLA anesthesia and IV conscious sedation based on remifentanil provided an adequate depth of anesthesia for outpatient facial laser resurfacing without complications. Lasers Surg. Med. 34:269–272, 2004. © 2004 Wiley‐Liss, Inc.
Effect of low‐power laser irradiation on protein synthesis and ultrastructure of human gingival fibroblasts
Authors: Marques Márcia M. , Pereira Aymann N. , Fujihara Neusa A. , Nogueira Fernando N. , Eduardo Carlos P. 
Published: March 2004

AbstractBackground and ObjectivesLow‐power lasers improve wound healing. Cell proliferation and protein secretion are important steps of this process. The aim of this study was to analyze both protein synthesis and ultrastructural morphology of human gingival fibroblasts irradiated by a low‐power laser.Study Design/Materials and MethodsThe cell line FMM1 was grown in nutritional deficit. Laser irradiation was carried out with a gallium–aluminum–arsenate (Ga–Al–As) diode laser (904 nm, 120 mW, energy density of 3 J/cm2). The protein synthesis analysis and ultrastructural morphology of control (non‐irradiated) and irradiated cultures were obtained.ResultsThere were changes in the structure of cytoplasm organelles of treated cells. The procollagen was not altered by the laser irradiation; however, there were a significant reduction of the amount of protein in the DMEM conditioned by irradiated cells.ConclusionsLow‐power laser irradiation causes ultrastructural changes in cultured fibroblasts. We suggest that these alterations may lead to disturbances in the collagen metabolism. Lasers Surg. Med. 34:260–265, 2004. © 2004 Wiley‐Liss, Inc.
Early differentiation between caries and tooth demineralization using laser‐induced autofluorescence spectroscopy
Authors: Borisova Ekaterina G. , Uzunov Tzonko T. , Avramov Latchezar A. 
Published: March 2004

AbstractBackground and ObjectivesThe intrinsic fluorescence of carious human teeth, of different stages of teeth demineralization, and the correspondence of such fluorescence to the mineral and organic distribution within the lesions were investigated.Study Design/Materials and MethodsFluorescence spectra of teeth excited with 337 nm nitrogen laser were recorded. Spectra were obtained from healthy enamel, dentine, demineralized areas, and different carious stages of the teeth investigated.ResultsSpectra obtained from sound enamel consisted of one intensive peak at 480–500 nm and one secondary peak at 430–450 nm. In dentine, this secondary component had much higher intensity. Fluorescence spectra of normal teeth were similar to those of enamel layer. A significant decrease of the intensity of the fluorescence signal was observed in both cases—in demineralized teeth and in carious lesion. The appearance of a fluorescence peak in the red spectral region was observed in the spectra of the initial carious lesions. In the teeth demineralization process, we observed an increase of the relative fluorescence peak intensity at 430–450 nm related to thinned out of enamel.ConclusionsA differentiation between initial tooth demineralization and early stages of caries could be made by the laser‐induced fluorescence spectroscopy method. Lasers Surg. Med. 34:249–253, 2004. © 2004 Wiley‐Liss, Inc.
Comparison and sequential study of long pulsed Nd:YAG 1,064 nm laser and sclerotherapy in leg telangiectasias treatment
Authors: Levy Jean Luc , Elbahr Chantal , Jouve Elisabeth , Mordon Serge 
Published: March 2004

AbstractBackground and ObjectivesMillisecond pulsed 1,064 nm Nd:YAG lasers have been developed for the treatment of leg telangiectasias. To date there have been very few side by side comparison studies of laser versus the gold standard sclerotherapy in treating small leg veins. This study aims to compare a long pulsed Nd:YAG laser with contact cooling to sclerotherapy for treating small diameter leg telangiectasias by evaluating objective and subjective clinical effects.Study Design/Patients and MethodsFourteen patients were selected with leg telangiectasias ranging from 0.5 to 2 mm at four comparable sites. One site was treated with long pulsed Nd:YAG alone, the second received sclerotherapy alone, the third laser then sclerotherapy, and the last one sclerotherapy then laser. The patients were followed up at 3 months after the last treatment. Photographs were taken pre‐operatively and at 3 months after the last session. They were used for objective and comparative analysis. Statistical analysis was performed using Friedman's test controlling for subject.ResultsImprovement was tabulated from the photographic assessment on an improvement scale from 0 (no change) to 4 (greater than 75% clearing). There were clinical improvements in the laser group than sclerotherapy without statistical significance. Side effects were minimal and included hyperpigmentation.ConclusionsThis pilot study demonstrates that the Smartepil LS long pulse Nd:YAG 1,064 nm laser can yield results similar to sclerotherapy in the treatment of small leg telangiectasias. Combination of both methods could increase response to treatment. Lasers Surg. Med. 34:273–276, 2004. © 2004 Wiley‐Liss, Inc.
Comparison of single and multiple applications of GaAlAs laser on rat medial collateral ligament repair
Authors: Ng Gabriel Y.F. , Fung Dicky T.C. , Leung Mason C.P. , Guo Xia 
Published: March 2004

AbstractBackground and ObjectivesTo examine single versus multiple applications of the gallium aluminum arsenide (GaAlAs) laser on the healing of surgically injured medial collateral ligaments (MCLs) in rats.Study Design/Materials and MethodsSixteen rats were studied, with 12 receiving surgical transection to their right MCL and 4 receiving a sham injury. Group 1 (n = 4) received a single dose of GaAlAs laser therapy (wavelength 660 nm, average power 8.8 mW, pulse 10 kHz, dosage 31.6 J/cm2) directly to their MCL during surgery. Group 2 (n = 4) received 9 doses of GaAlAs laser therapy applied transcutaneously on alternate days (wavelength 660 nm, average power 8.8 mW, pulse 10 kHz, dosage 3.5 J/cm2). The controls (Group 3, n = 4) received one session of placebo laser at the time of surgery, with the laser equipment shut down, while the sham injured Group 4 (n = 4) received no treatment. Biomechanical tests for structural stiffness, ultimate tensile strength (UTS), and load‐relaxation were done at 3 weeks after injury. The stiffness and UTS data were normalized by expressing as a percentage of the left side of each animal before statistical analysis.ResultsThe load‐relaxation data did not show any differences between the groups (P = 0.18). The normalized stiffness levels of Groups 2 (81.08±11.28%) and 4 (92.66±13.19%) were significantly higher (P = 0.025) than that of the control Group 3 (58.99±15.91%). The normalized UTS of Groups 2 (81.38±5.68%) and 4 (90.18±8.82%) were also significantly higher (P = 0.012) than that of the control (64.49±9.26%). Although, Group 1 had higher mean stiffness and UTS values than the control, no statistically significant difference was found between these two groups.ConclusionsMultiple laser therapy improves the normalized strength and stiffness of repairing rat MCLs at 3 weeks after injury. The multiple treatments seem to be superior to a single treatment when the cumulative dosages are comparable between the two modes of application. Lasers Surg. Med. 34:285–289, 2004. © 2004 Wiley‐Liss, Inc.
A first trial in the clinical application of photodynamic therapy for the prevention of restenosis after coronary‐stent placement
Authors: Usui Mikio , Miyagi Manabu , Fukasawa Shinya , Hara Takeshi , Ueyama Naoya , Nakajima Hitoshi , Takata Ryu , Sasame Atsuko , Tamura Ken , Naitou Yuuichi , Yamashina Akira 
Published: March 2004

AbstractBackground and ObjectivesThe aim of this clinical study was to evaluate the safety of local delivery of a photosensitizer followed by photodynamic therapy (PDT), to determine its effectiveness in reducing in‐stent restenosis.Study Design/Patients and MethodsPorfimer sodium was administered via a local delivery catheter to five coronary‐stent implanted lesions followed by irradiation with a pulse laser. Coronary angiography (CAG) was performed at the baseline, after the procedure and at a 6‐month follow‐up.ResultsBy the 18‐month clinical follow‐up, no adverse events such as photodermatosis, or myocardial ischemia had occurred. At the follow‐up, no coronary embolization, dissection, or aneurysmal dilatation was observed in the CAG. In‐stent diameter stenosis, late loss, and loss index were 19.16±8.20%, 0.37±0.18 mm, and 0.19±0.12, respectively. No in‐stent restenosis was observed.ConclusionsThis study suggests that PDT, with local delivery of Porfimer sodium, is safe and may be a feasible technique in preventing in‐stent restenosis. Lasers Surg. Med. 34:235–241, 2004. © 2004 Wiley‐Liss, Inc.
Bond strength to dentin of primary teeth irradiated with varying Er:YAG laser energies and SEM examination of the surface morphology
Authors: Monghini Elisângela M. , Wanderley Rosimeyri L. , Pécora Jesus D. , Palma Dibb Regina G. , Corona Silmara A.M. , Borsatto Maria C. 
Published: March 2004

AbstractBackground and ObjectivesThis study aimed to assess in vitro the influence of Er:YAG laser energy on the shear bond strength of a total‐etch adhesive to lased dentin of primary teeth, and observe under SEM the morphological appearance of laser‐ablated dentin surfaces.Study Design/Materials and MethodsFor SBS, specimens were irradiated with the energies 60 mJ/2 Hz (G2), 80 mJ/2 Hz (G3), 100 mJ/2 Hz (G4). Control (G1) was not irradiated. Dentin surfaces were acid‐etched, Single Bond® adhesive (3 M) was applied, and resin cylinders were fabricated from Z250® resin (3 M). Bond strength was tested in shear (0.5 mm/min). For morphological analysis, specimens were irradiated using the same energies, either or not acid‐etched, and observed by SEM.Results and ConclusionsSBS means, in MPa, were: G1‐17.89(±4.75); G2‐12.34(±4.85); G3‐10.30(±3.67); G4‐10.41(±4.20). Overall, Er:YAG laser irradiation of primary teeth dentin, prior to the adhesive protocol, adversely affected bond strength. Furthermore, it was noticed that even though there was no significant difference among the Er:YAG laser‐treated groups, the increase of laser energy resulted in increasingly cratered surfaces, regardless of acid‐etching association. Lasers Surg. Med. 34:254–259, 2004. © 2004 Wiley‐Liss, Inc.
In vivo targeted gene transfer in skin by the use of laser‐induced stress waves
Authors: Ogura Makoto , Sato Shunichi , Nakanishi Kuniaki , Uenoyama Maki , Kiyozumi Tetsuro , Saitoh Daizo , Ikeda Tomosumi , Ashida Hiroshi , Obara Minoru 
Published: March 2004

AbstractBackground and ObjectivesMuch interest has been shown in the use of lasers for nonviral targeted gene transfer, since the spatial characteristics of laser light are quite well defined. The aim of this study was to demonstrate in vivo gene transfer by the use of laser‐induced stress waves (LISWs).Study Design/Materials and MethodsAfter reporter genes had been intradermally injected to rat skin in vivo, a laser target was placed on the gene‐injected skin. LISWs were generated by the irradiation of an elastic laser target with 532‐nm nanosecond laser pulses of a Q‐switched Nd:YAG laser.ResultsLevels of luciferase activities for the skin exposed to LISWs were two orders of magnitude higher than those for the skin injected with naked DNA. Expressions of enhanced green fluorescent protein (EGFP) and β‐galactosidase were observed only in the area that was exposed to LISWs, and in addition, epidermal cells were selectively transfected. No major side effects were observed, and luciferase activity levels as high as 105 RLU per mg of protein were sustained even 5 days after gene transfer.ConclusionHighly efficient and site‐specific gene transfer can be achieved by applying a few pulses of nanosecond pulsed LISWs to rat skin in vivo. Lasers Surg. Med. 34:242–248, 2004. © 2004 Wiley‐Liss, Inc.