Showing papers by "University at Buffalo published in 1976"
TL;DR: This method is computationally simple and numerically well behaved, and has been incorporated into a new molecular SCF program HONDO, and preliminary tests indicate that it is competitive with existing methods especially for highly angularly dependent functions.
Abstract: This paper is concerned with the efficient computation of the ubiquitous electron repulsion integral in molecular quantum mechanics. Differences and similarities in organization of existing Gaussian integral programs are discussed, and a new strategy is developed. An analysis based on the theory of orthogonal polynomials yields a general formula for basis functions of arbitrarily high angular momentum. (ηiηj∥ηkηl) = Σα=1,nIx(uα) Iy(uα) I*z(uα) By computing a large block of integrals concurrently, the same I factors may be used for many different integrals. This method is computationally simple and numerically well behaved. It has been incorporated into a new molecular SCF program HONDO. Preliminary tests indicate that it is competitive with existing methods especially for highly angularly dependent functions.
690 citations
TL;DR: A set of optimization criteria and a number of iterative reconstruction algorithms are stated, together with theorems on the convergence of the algorithms to optimum images and the efficacy of the algorithm is compared to that of the convolution method.
463 citations
378 citations
01 Aug 1976
TL;DR: In this paper, partitioning and the associated generalized partitioned estimation algorithms are shown to constitute a unifying and powerful framework for optimal adaptive estimation in linear as well as nonlinear problems.
Abstract: In this paper, partitioning and the associated generalized partitioned estimation algorithms are shown to constitute a unifying and powerful framework for optimal adaptive estimation in linear as well as nonlinear problems. Using the partitioning framework, the adaptive estimation problem is treated from a global viewpoint that readily yields and unifies seemingly unrelated results and, most importantly, yields fundamentally new families of nonlinear and linear estimation algorithms in a decoupled parallel-realization form. The generalized partitioned estimation algorithms are shown to have several important properties from both a theoretical and a realization or computational standpoint.
352 citations
TL;DR: The dissolution kinetics of 5% by weight suspensions of two potassium feldspars and six plagioclases were studied for 400-1200 hr at 1 atm PCO2 as discussed by the authors.
327 citations
TL;DR: In this article, the power of a channel leader is a result of his control over some power sources, and of dependency of other channel members upon him, and such power can b...
Abstract: Three hypotheses are discussed: that the power of a channel leader is a result of his control over some power sources, and of dependency of other channel members upon him, and that such power can b...
295 citations
294 citations
TL;DR: The increase in theophylline clearance caused by smoking is probably the result of induction of drug‐metabolizing enzymes that do not readily normalize after cessation of smoking.
Abstract: The pharmacokinetics of theophylline were examined in a group of nonsmokers and in heavy smokers (1 to 2 packs/day) before and 3 to 4 mo after cessation of cigarette smoking. The half-life of theophylline in smokers averaged 4.3 (SD = 1.4) hr, significantly shorter than the mean value in nonsmokers (7.0, SD =1.7 hr). The apparent volume of distribution of theophylline was somewhat larger in smokers (0.50 +/-0.12 L/kg) than in nonsmokers (0.38 +/-0.04 L/kg). The body clearance of theophylline was appreciably larger and relatively more variable in smokers (100 +/-44 ml/min/1.73 m2) than in nonsmokers (45 +/-13 ml/min/1.73 m2). Serum concentrations of thiocyanate, a biotransformation product of cyanide which is inhaled with smoke, were used to monitor the smoking status of the subjects. The body clearances of theophylline showed a good correlation (r = 0.785, p less than 0.001) with the serum thiocyanate concentrations. Of the 8 smokers, only 4 managed to refrain from smoking for at least 3 mo, and these subjects showed no significant change in theophylline elimination. The increase in theophylline clearance caused by smoking is probably the result of induction of drug-metabolizing enzymes that do not readily normalize after cessation of smoking.
258 citations
TL;DR: Stimson as discussed by the authors found that the approval of presidents follows a cyclical pattern over time, where all presidents begin their terms with great popularity, experience parabolic declines, steadily lose popular support for about three years, and then recover some at the ends of their terms.
Abstract: The approval accorded to Presidents by the American public is found to follow a cyclical pattern over time. All Presidents begin their terms with great popularity, experience parabolic declines, steadily lose popular support for about three years, and then recover some at the ends of their terms. These distinctive cycles, it is argued, reflect regular expectation/disillusionment cycles among the less wellinformed segments of the public and are tied to the four-year election calendar. The extraordinary fit of parabolic curves to actual presidential approval leads to the suspicion that presidential approval may be almost wholly independent of the President's behavior in office, a function largely of inevitable forces associated with time. James A. Stimson is Associate Professor of Political Science at the State University of New York at Buffalo.
250 citations
TL;DR: In this article, the dynamic behavior of the continuous stirred tank reactor is analyzed and classified for a variable reactor residence time, and plots are given to show the influence of system parameters on the reactor behavior.
241 citations
TL;DR: In this article, the intramolecular 1, 3-dipolar cycloaddition reaction of suitably functionalized 1,3-dipoles represents a general scheme for the synthesis of novel fused ring heterocycles.
Abstract: The intramolecular 1,3-dipolar cycloaddition reaction of suitably functionalized 1,3-dipoles represents a general scheme for the synthesis of novel fused ring heterocycles. Such reactions of a number of 1,3-dipoles are summarized and the general outline and potential analogies for these reactions noted. While the immediate aim of this review is to survey and correlate published work, it is hoped that general and specific points in need of study will be revealed and will stimulate further work in this fertile field.
TL;DR: In this paper, the Karhunen-Loeve transform for a class of signals is proven to be a set of periodic sine functions and this k-means expansion can be obtained via an FFT algorithm.
Abstract: The Karhunen-Loeve transform for a class of signals is proven to be a set of periodic sine functions and this Karhunen-Loeve series expansion can be obtained via an FFT algorithm. This fast algorithm obtained could be useful in data compression and other mean-square signal processing applications.
01 Sep 1976
TL;DR: The Karhunter-Loeve transform for a class of signals is proven to be a set of periodic sine functions and this Karhunen- Loeve series expansion can be obtained via an FFT algorithm, which could be useful in data compression and other mean-square signal processing applications.
Abstract: The Karhunen-Loeve transform for a class of signals is proven to be a set of periodic sine functions and this Karhunen-Loeve series expansion can be obtained via an FFT algorithm. This fast algorithm obtained could be useful in data compression and other mean-square signal processing applications.
TL;DR: In this paper, the authors used intermolecular forces acting throughout a finite region near the drop's edge to predict experimental spreading rates for the last two stages of a liquid drop on a solid surface.
TL;DR: In this paper, the spontaneous crystallization of calcite from solution at 25°C was studied in the presence of magnesium, strontium, and sulfate ions, and it was shown that calcite formation involves an unstable amorphous phase that undergoes subsequent transformation to aragonite adn calcite.
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TL;DR: Optical and scanning microscopy of drilling chips indicate that chip formation occurs primarily by a fracture process with localized deformation resulting from the action of the chisel edge at the tip of the drill bit.
TL;DR: In this paper, the serum protein binding and elimination kinetics of warfarin were determined in 31 patients with cardiovascular disease who were taking Warfarin regularly and found that protein binding is a major determinant of the elimination kinetic in man and an important cause of interindividual variations in its body clearance.
Abstract: The serum protein binding and elimination kinetics of warfarin were determined in 31 patients with cardiovascular disease who were taking warfarin regularly. The free fraction of warfarin in the serum ranged from 0.00436 to 0.0189, indicating 98.11% to 99.56% protein binding. There was no apparent relationship between the extent of protein binding of warfarin and the concentration of albumin or total protein in the serum. The estimated total body clearance of warfarin in the patients ranged from 1.16 to 4.35ml/hr/kg of body weight and correlated significantly with the free fraction of warfarin in serum. This correlation has been predicted on theoretical grounds and shows that serum protein binding is a major determinant of the elimination kinetics of warfarin in man and an important cause of interindividual variations in its body clearance. The interindividual variation of free warfarin concentrations in the serum of patients with similar prothrombin times was somewhat smaller than the variations in total serum-warfarin concentrations and in the daily dose of warfarin. There was no correlation between prothrombin time and the concentration of free warfarin in serum, indicating that variables other than protein binding also affect the anticoagulant response of patients.
TL;DR: The results of this study provide insight into the retinal connections which underlie ganglion cell receptive field organization and raise the possibility that transmembrane movements of chloride ions are critical for the light responsiveness of horizontal and depolarizing bipolar cell activity.
Abstract: Intracellular recordings from receptors, horizontal cells, bipolars, and amacrines have been carried out in the perfused mudpuppy eyecup. The introduction of a chloride-free (c-f) medium results in initial transient potential changes in many cells followed by a slow loss of light-evoked activity of the depolarizing bipolar, the horizontal cell, and the on depolarization of amacrine cells. The hyperpolarizing bipolar remains responsive to light stimulation in a c-f medium, but the antagonistic surround mechanism is abolished. These effects are reversible after returning to a normal ionic medium. The results of this study provide insight into the retinal connections which underlie ganglion cell receptive field organization. It is concluded that the depolarizing bipolar is excitatory to on ganglion cells and is also the pathway for on-excitation of on-off cells. The hyperpolarizing bipolar mediates the off discharge of off and on-off cells. Amacrine cells receive input from both depolarizing and hyperpolarizing bipolar cells. These findings raise the possibility that transmembrane movements of chloride ions are critical for the light responsiveness of horizontal and depolarizing bipolar cell activity.
TL;DR: A rigorous derivation of a convolution reconstruction technique for diverging beams which does not require reordering the data is given and it is shown that such techniques allow both rapid data collection and rapid but nevertheless accurate reconstruction.
TL;DR: It is suggested that treatment of patients with the Stevens‐Johnson syndrome with systemic corticosteroids may be associated with significant side effects and prolonged recovery.
Abstract: SUMMARY
It is generally accepted that the correct treatment for patients with severe erythema multiforme is systemic corticosteroids. This paper is a review of thirty-two paediatric patients with severe erythema multiforme (Stevens-Johnson syndrome) who were treated with either large doses of systemic corticosteroids or supportive care only. Those patients treated with steroids did not recover sooner than those treated in other fashions and the steroid treated group had a significant incidence of medical complications. This retrospective study proves nothing but it does suggest that treatment of patients with the Stevens-Johnson syndrome with systemic corticosteroids may be associated with significant side effects and prolonged recovery.
TL;DR: Experimental tests of the on-off ganglion cell model favor the idea that this type of ganglions receives inhibitory input from amacrine cells and excitatory activation from depolarizing and hyperpolarizing bipolar cells.
Abstract: A chloride-free environment produces selective changes in the retinal network which include a separation of on and off channels. The identification of chloride-sensitive and insensitivie neuronal activity permits identification of some of the connections and intervening polarities of synaptic interactions which are expressed in ganglion cell receptive field organization. These experiments support previous suggestions that surround antagonism is dependent on horizontal cell activity. In addition they suggest a model of the neuronal connections which subserve on-center, off-center, and on-off ganglion cells. Experimental tests of the on-off ganglion cell model favor the idea that this type of ganglion cell receives inhibitory input from amacrine cells and excitatory activation from depolarizing and hyperpolarizing bipolar cells.
TL;DR: In properly selected patients the results with tube thoracostomy and talc pleurodesis have been uniformly good in preventing fluid recurrence and return of disabling symptoms.
TL;DR: By considering that the electrostatic charge on biological surfaces arises from the presence of multiple ionizable groups, the surface potential of and double-layer force between two plane surfaces were evaluated by numerically solving the non-linear Poisson-Boltzmann equation.
TL;DR: The type A pattern, as measured by the Jenkins Activity Scale, was correlated with 15 measures of social and social-psychological status and supports the contention that the Type A pattern is integral to the modern occupational career.
TL;DR: In this paper, a multivariate analysis was used to compare the operational efficiency of administratively coordinated and market coordinated vertical marketing systems, and the authors proposed nine dimensions where adaption was performed.
Abstract: A multivariate analysis was used to compare the operational efficiency of administratively coordinated and market coordinated vertical marketing systems. The study proposes nine dimensions where ad...
01 Aug 1976
TL;DR: Using the partitioning framework and a related general class of PAC's the adaptive control problem is treated from a global viewpoint that unifies seemingly unrelated previously obtained suboptimal adaptive controls, and yields fundamentally new adaptive control algorithms.
Abstract: In this paper, partitioning and the associated partitioned adaptive control algorithms are shown to constitute a unifying framework for adaptive control. Moreover, the partitioned adaptive controls (PAC's) are shown to have several interesting properties as well as a decoupled parallel-processing structure that is computationally attractive. Finally, using the partitioning framework and a related general class of PAC's the adaptive control problem is treated from a global viewpoint that unifies seemingly unrelated previously obtained suboptimal adaptive controls, and, most importantly, yields fundamentally new adaptive control algorithms. These new control algorithms are shown to have several important properties from both a theoretical and a realization or computational standpoint.
TL;DR: The great effectiveness of the combination of multisequential chemotherapy and reductive surgery to produce complete clinical remission in advanced testicular carcinomas and the importance of the second‐look surgery in testicular tumors are revealed.
Abstract: Nineteen patients with advanced testicular carcinomas (Stage III) were treated by a combination of multisequential chemotherapy with vinblastine, bleomycin, platinum, adriamycin, cytoxan, actinomycin D, and reductive surgery. Of the sixteen patients who were operated on 10 patients are alive and free of disease from 5 to 15 months. Two patients are alive with residual disease and four patients died. (Three were free of malignant tumor and one had residual malignant disease.) Three patients are still receiving preoperative chemotherapy. Pathology reported benign tumors in 8 out of 16 patients operated on. All these patients were previously treated with multiple chemotherapy. Several facts emerge from this study: (1) the great effectiveness of the combination of multisequential chemotherapy and reductive surgery to produce complete clinical remission in advanced testicular carcinomas (63.6%, 13 out of 19 patients); (2) the possibility of benign transformation of these tumors (50%, 8 out of 16); (3) the importance of the second-look surgery in testicular tumors.
TL;DR: B antibodies to this antigen in calf thymus extract appear most specific for patients with polymyositis syndromes, particularly those with dermatomyositis.