Publications by authors named "JC Calabrese"

Purpose: To characterize the time structure of K1 kickboxing matches of Glory World Series (Glory) and to determine potential differences between winners and losers.

Methods: Seventeen matches of Glory 2019 (17 first rounds, 13 second rounds, and 8 third rounds) were video-analyzed to quantify (1) the time expended in high- and low-intensity activity and pauses, (2) the number and pattern of attacks, and (3) the number of effective attacks. Fighters were professional male athletes (age 27.

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Introduction: recently there have been several new versions of equipment based on the principles of bioelectrical impedance (BIA). Therefore, it is important to know the agreement between data produced by different commercially available equipment. Objective: to verify the agreement between fat-free mass (FFM), fat mass (FM), and body fat percentage (BF%) estimated using different segmental multi-frequency BIA (Tanita® MC-980U and InBody 770®) and whole-body spectral techniques (Xitron 4200).

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The first three-dimensional structure of phenylalanine ammonia lyase (PAL) has been determined at 2.1 A resolution for PAL from Rhodosporidium toruloides. The enzyme is structurally similar to the mechanistically related histidine ammonia lyase (HAL), with PAL having an additional approximately 160 residues extending from the common fold.

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Enantioselectivity of Rh(I)-catalyzed asymmetric hydrogenation of dehydroamino acid derivatives and dimethyl itaconate can be enhanced by the appropriate choice of substituents on the aromatic rings of vicinal diarylphosphinites derived from carbohydrates as well as trans-cyclohexane-1,2-diol. For example, the use of phosphinites with electron-donating bis(3,5-dimethylphenyl) groups at phosphorus provide high ee's in these reactions whereas electron-withdrawing aryl substituents decrease the enantioselectivity. In this paper, an attempt is made to clarify the origin of these remarkable electronic effects at two levels.

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Background: Riboflavin synthase catalyzes the dismutation of two molecules of 6,7-dimethyl-8-(1'-D-ribityl)-lumazine to yield riboflavin and 4-ribitylamino-5-amino-2,6-dihydroxypyrimidine. The homotrimer of 23 kDa subunits has no cofactor requirements for catalysis. The enzyme is nonexistent in humans and is an attractive target for antimicrobial agents of organisms whose pathogenicity depends on their ability to biosynthesize riboflavin.

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Background: 3,4-Dihydroxy-2-butanone-4-phosphate synthase catalyzes a commitment step in the biosynthesis of riboflavin. On the enzyme, ribulose 5-phosphate is converted to 3,4-dihydroxy-2-butanone 4-phosphate and formate in steps involving enolization, ketonization, dehydration, skeleton rearrangement, and formate elimination. The enzyme is absent in humans and an attractive target for the discovery of antimicrobials for pathogens incapable of acquiring sufficient riboflavin from their hosts.

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The reaction of Fe(II)(C5Me5)(C5H5), FeCpCp, with percyano acceptors, A [A = C4(CN)6 (hexacyanobutadiene), TCNQF4 (perfluoro-7,7,8,8-tetracyano-p-quinodimethane), and DDQ (2,3-dichloro-5,6-dicyanobenzoquinone)], results in formation of 1:1 charge-transfer salts of [Fe(III)CpCp]*]*+[A]*- composition. With A = TCNQ (7,7,8,8-tetracyano-p-quinodimethane) a 1:2 electron-transfer salt with FeCpCp forms. With A = TCNE (tetracyanoethylene) a pair of 1:1 salts as well as a pair of 2:3 salts of [FeCpCp]2[TCNE]3.

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Comparison of the high-resolution X-ray structures of the native HIV-1 protease and its complexes with the inhibitors suggested that the enzyme flaps are flexible. The movement at the tip of the flaps could be as large as 7 A. On the basis of this observation, cyclic cyanoguanidines have been designed, synthesized, and evaluated as HIV-1 protease (PR) inhibitors.

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The syntheses, characterizations, and X-ray crystallographic structure determinations are described for adducts of stable nucleophilic carbenes with pnictinidenes. The adducts between 1,3-dimesitylimidazol-2-ylidene and phenylphosphinidene, phenylarsinidene, (trifluoromethyl)phosphinidene, and (pentafluorophenyl)arsinidene are reported. These carbene-pnictinidene adducts are formed by the direct reaction of a stable nucleophilic carbene with the corresponding pnictinidene cyclic oligomers.

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(meso-Tetrakis(3,5-di-tert-butyl-4-hydroxyphenyl)porphinato)manganese(III) tetracyanoethenide, [MnTP'P][TCNE], has been structurally and magnetically characterized. [MnTP'P][TCNE] (C(96)H(108)MnN(8)O(4)) belongs to the triclinicP&onemacr; (No. 2) space group with a = 8.

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A novel series of cognition enhancers was designed based on molecular modeling and X-ray structure analysis of EXP-9121 (2). This new series features a spirocyclic ring system that constrains the side chain substituents into the orientation seen in the X-ray crystal structure of 2. MM2 calculations preformed on 2 accurately predicted the solid state conformation.

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Recrystallization of the solid Cd(10)S(4)(SC(6)H(5))(12) from a solution of pyridine and N, N-di-methylformamide (DMF) results in the formation of the cluster Cd(32)S(14)(SC(6)H(5))(36)-DMF(4) as pale yellow cubes. The structure consists of an 82-atom CdS core that is a roughly spherical piece of the cubic sphalerite lattice approximately 12 angstroms in diameter. The four corners of the lattice are capped by hexagonal wurtzite-like CdS units, which results in an overall tetrahedral cluster approximately 15 angstroms in diameter.

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C(60) and liquid bromine react to form C(60)Br(24), a crystalline compound isolated as a bromine solvate, C(60)Br(24)(Br(2))(x), The x-ray crystal structure defines a new pattern of addition to the carbon skeleton that imparts a rare high symmetry. The parent C(60) framework is recognizable in C(60)Br(24), but sp(3) carbons at sites of bromination distort the surface, affecting conformations of all of the hexagonal and pentagonal rings. Twenty-four bromine atoms envelop the carbon core, shielding the 18 remaining double bonds from addition.

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A new class of potent antihypertensives has been discovered that exert their effect through blockade of the angiotensin II (AII) receptor. Most AII antagonists reported so far are peptide mimics of the endogenous vasoconstrictor octapeptide angiotensin II. The compounds of this paper are nonpeptides and therefore constitute a new class of potent AII receptor antagonists.

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In developing new brain perfusion imaging agents, we prepared 99mTc complexes of racemic mixtures of bis(aminoethanethiol) (BAT) derivatives containing an N'-benzylpiperazinyl (BPA) side chain. Due to the presence of a chiral center, a mixture of diastereomers (syn and anti) following chelation with the 99mTc (no-carrier-added) was obtained. The neutral and lipid-soluble 99mTc-BPA-BAT (99mTc, T1/2 = 6 h) isomers were separated.

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Two new ligand systems for complexation with 99mTc were prepared. The two analogs of bisaminoethanethiol (BAT): N,N'-bis(2-methyl-2-mercaptopropyl)-2,2-dimethylpropylenediamin e (PAT-HM) and N,N'-bis[2-(2-ethyl-1-mercaptopropyl)] ethylenediamine (TMR), form neutral and lipid soluble complexes with 99mTc that readily penetrate the blood-brain barrier following i.v.

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New high-temperature superconductors based on oxides of thallium and copper, but not containing barium, have been prepared. A transition temperature (T(c)) of about 85 K is found for (Tl(0.5)Pb(0.

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The structures of hexaazaoctadecahydrocoronene, [HAOC](n) (n = O, + 2), have been determined by single-crystal x-ray diffraction. Although HAOC is aromatic, its dication has a localized structure that is based upon Jahn-Teller-distorted cyanine/p-phenylenediammonium fragments. The structure is consistent with the singlet ground state as determined by magnetic susceptibility and contrasts with the simplest Hückel expectation of a triplet ground state.

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There is now a new series of high-temperature superconductors that may be represented as (A(III)O)(2)A(2)(II)Can-1CunO2+2n where A(III) is Bi or Tl, A(II) is Ba or Sr, and n is the number of Cu-O sheets stacked consecutively. There is a general trend toward higher transition temperatures as n increases. The highest n value for a bulk phase is three and is found when A(III) is Tl.

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A new superconductor that displays onset behavior near 120 K has been identified as Bi(2)Sr(3-x)Ca(x)Cu(2)O(8+y), with x ranging from about 0.4 to 0.9.

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