ライフサイエンスコーパス: kcal

1 the conserved E97 side chain result in <=1.0 kcal mol(-1) decreases in the activation barrier for sub

2 o energy-dense (1.5 kcal/ml) or routine (1.0 kcal/ml) enteral nutrition.Measurements and Main Results

3 weak associative interactions (DeltaG ~ -1.0 kcal/mol) have limited their use in aqueous self-assembl

4 , corresponding to a DeltaDeltaG (0)' of 2.0 kcal mol(-1) (0.087 eV) and that the activation barrier,

5 and Q215A/Y217F substitutions cause 1.3-2.0 kcal/mol larger increases in the activation barrier for

6 pisomers (compound 1d, DeltaG( )(rac) = 26.0 kcal.mol(-1)) was determined by TD-DFT simulation of the

7 ne ethynyl and one tert-butyl group (1.9-3.0 kcal/mol).

8 , whereas it is higher in magnitude (3.0-5.0 kcal/mol) near the bilayer interface.

9 l/mol) and the wild type (WT) mADA (Ea = 5.0 kcal/mol) were selected for HDX-MS experiments.

10 (2+), -2.50 kcal/mol for CBN2(2+), and -2.00 kcal/mol for CBN2(4+)).

11 2.0 K by overcoming a barrier of 0.28+/-0.02 kcal mol(-1) .

12 duplexes are destabilized, on average, 1.02 kcal/mol in the presence of 20% PEG 200.

13 with larger self-served food portions (5.03 kcal; 0.47, 9.60 kcal), faster eating rates (0.40 g/min;

14 s values with standard error of roughly 0.05 kcal/mol.

15 0.59 g/min), and larger lunch intakes (7.05 kcal; 3.37, 10.74 kcal).

16 agreement for both RMR (maximum bias = 0.07 kcal/min) and AMR assessment (maximum bias = 0.53 kcal/m

17 ) measurements were Delta H( ) = 2.7 +/- 0.1 kcal mol(-1) and Delta S( ) = -5.0 +/- 0.5 cal mol(-1) K

18 e mean unsigned errors are 2.3, 1.7, and 2.1 kcal mol(-1).

19 ially higher enantiomerization barrier (22.1 kcal/mol) than its helicene precursor (<11.9 kcal/mol),

20 in the average energy density of SSBs by 3.1 kcal/100 ml.

21 for (eta(5)-C(5)Me(5))Rh((Me)PhI)H and 51.1 kcal mol(-1) for (eta(5)-C(5)Me(5))Rh(ppy)H.

22 s per day and decrease caloric intake by 9.1 kcal (95% UI 0.5-17.7 kcal), which would reduce the numb

23 s <-4.5 kcal/mol for Pd(2)(II,III) and <-9.1 kcal/mol for Pd(III)(2).

24 ng quantum chemical accuracy (errors below 1 kcal . mol(-1)) on test data.

25 computed activation barriers is within +/-1 kcal mol(-1), with a strong linear correlation between D

26 and -oxo porphyrin species that are within 1 kcal/mol of experimentally determined values, suggesting

27 ich yielded an experimental barrier within 1 kcal/mol of the calculated barrier for a subsequent 4pai

28 5.7 +/- 0.1, 48.1 +/- 0.1, and 32.9 +/- 0.1% kcal, respectively, in US adults.

29 rapid at cryogenic temperatures despite a 10 kcal/mol barrier.

30 increase the rotational barrier by about 10 kcal mol(-1).

31 the energy barrier for phosphorolysis by 10 kcal.mol(-1).

32 tions yield bond-shifting barriers of ca. 10 kcal/mol.

33 w - about 2-3 kcal/mol - and are at least 10 kcal/mol lower than those of hydrogen shift processes in

34 The TS stabilization of up to ~10 kcal/mol was consistent with the formation of a strong n

35 male mice were fed a low-fat diet (LFD, 10% kcal), HFD (45% kcal), or a HFD administered with 0.5 g/

36 F0 females were fed control diet (CD; 10%kcal from fat) or HFD (60%kcal from fat) starting at pos

37 raction (HAA) of strong C-H bonds (BDE ~ 100 kcal/mol).

38 sk, 1.35; 95% CI, 1.05-1.74), with every 100 kcal (relative risk, 1.01; 95% CI, 1.002-1.01), and gram

39 d bond strength of the Fe(IV)O-H bond of 100 kcal.mol(-1) is very close to the reported values for hi

40 ntain 20-50 mg omega-3 DHA (22:6n-3) per 100 kcal, which is equivalent to about 0.5-1% of fatty acids

41 ified low protein formula (1.7 g protein/100 kcal) is safe.

42 ; n = 90) or CTRL formula (2.1 g protein/100 kcal; n = 88) from enrollment (age <= 45 d) to 6 mo of a

43 fants received either mLP (1.7 g protein/100 kcal; n = 90) or CTRL formula (2.1 g protein/100 kcal; n

44 t 85 degrees C with an enthalpy of ~900-1000 kcal/mol.

45 density of fruits and vegetables (cups/1000 kcal) >=80th percentile compared with <80th percentile u

46 for one-fifth the total emissions (GHGE/1000 kcal) of those in the top quintile, yet had significantl

47 : 45.4 +/- 8.2 y; 33 men) enrolled in a 1000-kcal/d diet for 8 wk, followed by 4 wk of weight stabili

48 ion was seen between W9 and W13 (-53 +/- 101 kcal/d, P < 0.001).

49 strain of the singlet cyclobutyne to be 101 kcal/mol, with an in-plane pai-bond strain of 71 kcal/mo

50 tion was present at W9 and W13 (-107 +/- 102 kcal/d, P < 0.001 and -49 +/- 128 kcal/d, P = 0.013) but

51 ion was found after weight loss (-54 +/- 105 kcal/d; P < 0.001), with no difference between races and

52 kcal/mol and root mean square error of 1.11 kcal/mol, comparable with the accuracy of previously pub

53 e, and that there is a large ca. (19-8) = 11 kcal/mol stabilization of the former transition state fr

54 protein intake distribution (3.73 +/- 0.11% kcal) was 41% of carbohydrate intake distribution (9.18

55 olic adaptation was found at W9 (-92 +/- 110 kcal/d, P < 0.001) and W13 (-38 +/- 124 kcal/d, P = 0.01

56 al/d; P = 0.43 and DeltaEEbal = -141 +/- 118 kcal/d; P = 0.25).

57 )d-d state was determined to lie ~0.5 eV (12 kcal/mol) above the ground state.

58 en bound to UDG and resembles a tautomer >12 kcal/mol higher in energy.

59 he racemization energy of 1d is more than 12 kcal.mol(-1) smaller than its isostere 9-(2-methylnaphth

60 ss and fat mass, SMR increased by 43 +/- 123 kcal/d more than expected (P = 0.05) and 24h-EE by 23 +/

61 110 kcal/d, P < 0.001) and W13 (-38 +/- 124 kcal/d, P = 0.011) but was not correlated with weight re

62 07 +/- 102 kcal/d, P < 0.001 and -49 +/- 128 kcal/d, P = 0.013) but not at 1Y (-7 +/- 129, P = 0.701)

63 rmation of alkoxyl radicals are as low as 13 kcal mol(-1).

64 expected (P = 0.05) and 24h-EE by 23 +/- 139 kcal/d (P = 0.34), indicating an overall lack of metabol

65 % of fat intake distribution (6.40 +/- 0.14% kcal).

66 a low energy value, ranging from 116 to 148 kcal/500 mL of beer.

67 weakens the NH...pai interactions from 12-15 kcal mol(-1) in "naked" cations to 5-9 kcal mol(-1) in t

68 r-lying than the lowest singlet state by ~15 kcal/mol.

69 )-symmetric transition state (TS) (E(a) = 17 kcal/mol).

70 the Harris-Benedict at 9 mo postpartum (-17 kcal, -0.5%).

71 s attributable to the exceptionally weak (17 kcal/mol) Fe-H bond, which performs irreversible HAT to

72 cant (IM = 2,282 kcal day(-1); SP-17 = 3,174 kcal day(-1); p = 0.004).

73 ion over a single energy barrier DeltaG ~ 18 kcal/mol, whereas the early-time kinetics follows a powe

74 eir driving forces over a range of nearly 19 kcal/mol.

75 umed fewer daily total calories (807 vs 1968 kcal, P < 0.001) and fat (21 vs 86 g, P < 0.001) than th

76 al interfacial stabilization by -1.3 +/- 0.2 kcal/mol is observed experimentally, in good agreement w

77 a relatively low-stability dispersion (<1.2 kcal.mol(-1)).

78 eve an overall root mean square error of 1.2 kcal/mol on a set of 106 cases involving a change in net

79 route leading to byproduct formation by 1.2 kcal/mol.

80 ory insertion in these complexes is ca. 19.2 kcal/mol.

81 y line shape analysis, were Delta H( ) = 2.2 kcal mol(-1) and Delta S( ) = -23 cal mol(-1) K(-1).

82 REE was 2 kcal/kg higher in low- vs. high-retainers at 3M-PP, and

83 tional mean protein intake was 16.3 +/- 0.2% kcal, similar to US intake, and there was less variation

84 multiplicity with a binding energy of -3.20 kcal mol(-1) has been computed at the UCCSD(T)-F12a/aug-

85 , the O-H bond derived from 3 being about 20 kcal.mol(-1) stronger than that from 2b.

86 external field has effects of ca. 10 and 20 kcal/mol, respectively.

87 es of activation that are typically below 20 kcal mol(-1) and is accelerated by electron donating sub

88 availability (LCAL: CHO ~3 g kg(-1) , EA~ 20 kcal kg(-1) FFM).

89 ion of o-alkylphenyl ketones in excess of 20 kcal/mol when the solvent is methanol and by over 30 kca

90 ohydrate intake distribution (9.18 +/- 0.20% kcal) and 58% of fat intake distribution (6.40 +/- 0.14%

91 od sampling following a 400-g soup meal (204 kcal).

92 icipants 3 isocaloric high-fiber (~30 g/2100 kcal) diets, each for 6 wk, in random order: a carbohydr

93 ake of 11.9% (SE 0.7; from 2467 kcal to 2170 kcal) versus 0.8% (1.0) in the control group, and a sust

94 %) and energy intake increased by 167 +/- 22 kcal/d (18%; both P < 0.0001).

95 C (s) symmetry, with a barrier height of ~23 kcal/mol.

96 n calorie intake of 11.9% (SE 0.7; from 2467 kcal to 2170 kcal) versus 0.8% (1.0) in the control grou

97 uctant) upconversion can produce up to 20-25 kcal mol(-1) of additional redox potential, thus creatin

98 e energy (BDFE(C-H) ~ 29 kcal mol(-1) and 25 kcal mol(-1), respectively) cf. BDFE(Fe-H) of 56 kcal mo

99 , a high gas-phase proton affinity (PA = 258 kcal/mol), and a preference for electron-poor alkenes.

100 elimination of N(2) with a barrier of ca. 26 kcal/mol.

101 to the metal oxide (DeltaE) varies from -26 kcal/mol for M = Cu, Zn to 85 kcal/mol for M = Ti.

102 (DeltaG) to ring inversion calculated at 27 kcal mol(-1) .

103 for inversion barrier of configuration of 27 kcal mol(-1).

104 39 (140, 337) kcal in men and 219 (164, 273) kcal in women (P < 0.0001).

105 that this suggests a sizable decrease of 28 kcal mol(-1) (1.4 eV) in the reorganization energy (lamb

106 l, but statistically significant (IM = 2,282 kcal day(-1); SP-17 = 3,174 kcal day(-1); p = 0.004).

107 h excess weight gain (67%) consumed 186+/-29 kcal/d more than they expended (P<0.001).

108 ond dissociation free energy (BDFE(C-H) ~ 29 kcal mol(-1) and 25 kcal mol(-1), respectively) cf. BDFE

109 tions of an exceptionally weak C-H bond (<29 kcal mol(-1)), making this system among the most reactiv

110 ty scale, covering PA values from 262 to 296 kcal/mol.

111 nd unfolded states falls in the interval 0-3 kcal/mol.

112 singlet triplet energy gap, DeltaE(ST) = 0.3 kcal mol(-1).

113 both fast (80 ms) and strong (-10.1 +/- 0.3 kcal mol-1).

114 eves root-mean-squared errors (RMSEs) of 1.3 kcal/mol on high-throughput MS2 coat protein-RNA measure

115 with activation energy barriers of ~10 +/- 3 kcal/mol.

116 ol) in close agreement with experiment (18.3 kcal/mol).

117 o Mg(II), with a rate-limiting barrier (19.3 kcal/mol) in close agreement with experiment (18.3 kcal/

118 racies for many molecules are limited to 2-3 kcal . mol(-1) with presently-available functionals.

119 ic pathways are unexpectedly low - about 2-3 kcal/mol - and are at least 10 kcal/mol lower than those

120 /d) groups compared with control (mean: -2.3 kcal/d; 95% CI: -58.0, 53.5 kcal/d).

121 an 3,4-didehydropyridine (PA = 213.4 +/- 3.3 kcal mol(-1)) even though the latter biradical has one r

122 hydropyridine has a larger PA (215.3 +/- 3.3 kcal mol(-1)) than 3,4-didehydropyridine (PA = 213.4 +/-

123 gnificantly lower mean energy intake (-340.3 kcal/d; 95% CI: -567.3, -113.4 kcal/d; P = 0.004), highe

124 heat capacity change (DeltaDeltaC(p) ~ -36.3 kcal/molK(2)).

125 d (range: 1562-3622 kcal/d), or 29.7 +/- 6.3 kcal/kg body weight (range: 20.4-48.5 kcal/kg body weigh

126 metabolic cages, food intake decreased by 3 kcal/kg per hour in Ad-GcR(-/-) mice.

127 y is modestly favored over the latter (by ~3 kcal/mol).

128 teraction strength for the -CF(2)H group (~3 kcal/mol).

129 raction energy of 1,2-azaborine with Xe is 3 kcal mol(-1) according to quantum chemical computations,

130 ficantly changed (DeltaEEchamber = 24 +/- 30 kcal/d; P = 0.43 and DeltaEEbal = -141 +/- 118 kcal/d; P

131 ompared with energy recommendations of 25-30 kcal/d and Dietary Reference Intakes (DRIs) using Bland-

132 stable with a racemization barrier above 30 kcal/mol.

133 nd dissociation free energy is lowered by 30 kcal/mol upon metal binding.

134 The strain energy of ca. 30 kcal/mol was predicted for the latter compound, which wa

135 free energies of activation (in excess of 30 kcal mol(-1)), has the character of nucleophilic aromati

136 when the solvent is methanol and by over 30 kcal/mol for [EMIM][BF(4)].

137 n unfolding enthalpy of DeltaH(cal) ~200-300 kcal/mol and a main transition at 85 degrees C with an e

138 values so that PA magnitudes higher than 300 kcal mol(-1) are now feasible for nonphosphorous neutral

139 d base pairs yielded an overall RMSD of 0.32 kcal/mol when compared with experimentally derived param

140 unctional theory calculations to be about 32 kcal mol(-1).

141 that was either low or high in ED (LED = 33 kcal/100 g or HED = 97.9 kcal/100 g, respectively), foll

142 ke on snack day was higher by 239 (140, 337) kcal in men and 219 (164, 273) kcal in women (P < 0.0001

143 A barrier of ~35 kcal mol(-1) has been experimentally determined for inve

144 and properties at 298 K: DeltaH(vap) = 10.36 kcal/mol (10.52), density = 0.9965 g/cm(3) (0.9965), ent

145 Compared with ERWBC, EERDRI bias was -36 kcal, with inaccurate predictions in 33% of women.

146 EE was 2473 +/- 499 kcal/d (range: 1562-3622 kcal/d), or 29.7 +/- 6.3 kcal/kg body weight (range: 20.

147 presents the lowest absorption energy (-363 kcal mol(-1)) and largest contact area (4034.1 angstrom(

148 er (MLCT) state with an energy of 1.6 eV (38 kcal/mol).

149 32) kcal of energy in men and 360 (328, 392) kcal in women.

150 he singlet-triplet splitting by +4.5 +/- 0.4 kcal mol(-1) from ortho-benzyne.

151 iving an root mean square error of about 0.4 kcal/mol for most methods.

152 owering its pK(a) by 1.0 unit (DeltaG* = 1.4 kcal mol(-1)).

153 st, the method achieves RMSE accuracy of 1.4 kcal/mol in blind predictions of hundreds of human PUM2-

154 l He@F(8)@Ge(60)F(52) is exothermic by -10.4 kcal mol(-1), while Cs and Bi guests are too large to be

155 ntake (-340.3 kcal/d; 95% CI: -567.3, -113.4 kcal/d; P = 0.004), higher mean PA (1290.6; 95% CI: 39.9

156 KKW (mean: 90.7 kcal/d; 95% CI: 35.1, 146.4 kcal/d) and 20 KKW (mean: 123.6 kcal/d; 95% CI: 64.5, 18

157 on acceptor with a hydride affinity of 205.4 kcal mol(-1), while possessing the same proton or hydrid

158 ns predict overall barriers of 20.6 and 24.4 kcal/mol for the two dehydrogenation steps, in good agre

159 oselective gamma-arylation is favored by 3.4 kcal/mol, and both findings are in agreement with the re

160 with a total solvation energy gain of -35.4 kcal/mol.

161 nonpolar (40.7 kcal mol(-1)) to polar (47.4 kcal mol(-1)).

162 from total beverage purchases decreased 7.4 kcal/capita/day (95% CI -7.4 to -7.3; p < 0.001), or 7.5

163 ainers at 3M-PP, and REE and TEE were both 4 kcal/kg higher in low- vs. high-retainers at 9M-PP.

164 ng 10 wk on a chow or Western-type diet (40% kcal fat), parameters of glucose and lipid homeostasis w

165 eTRF caused a reduction in EI (~400 kcal.d-1) and weight loss (-1.04 +/- 0.25 kg; P = 0.01)

166 s a reaction with an energy barrier below 43 kcal/mol.

167 e N-imide 40 with an activation energy of 43 kcal/mol.

168 134, P = 0.380; and - 19 +/- 166, P = 0.438 kcal/day respectively).

169 ssociation free energy (calculated BDFE = 44 kcal/mol) leads to bimetallic H-H homolysis, generating

170 he parent exohedral isomers by up to -206.45 kcal mol(-1).

171 inglet-triplet energy gap (DeltaE(S-T) = -45 kcal/mol), a high gas-phase proton affinity (PA = 258 kc

172 Retinopathy was evaluated in rats fed a 45% kcal as fat diet for 8 weeks before administering strept

173 J mice were placed on an ad libitum HFD (45% kcal) for 10 wk.

174 fed a low-fat diet (LFD, 10% kcal), HFD (45% kcal), or a HFD administered with 0.5 g/kg bodyweight of

175 igher than during acute phase (1,765 +/- 456 kcal) (p = 0.037).

176 dissociation free energies between 35 and 46 kcal/mol exhibited high efficiencies.

177 diture (IM: 4,939 kcal day(-1); SP-17: 6,461 kcal day(-1), p = 0.004); differences related to physica

178 a high-fat (64% energy), high-calorie (+47% kcal) diet for 7 days.

179 Mothers consumed 1656 +/- 470 kcal, 21.8 +/- 12 g fructose, and 2.5 +/- 2.6 servings S

180 Mean +/- SD TEE was 2473 +/- 499 kcal/d (range: 1562-3622 kcal/d), or 29.7 +/- 6.3 kcal/k

181 ctivation parameters (DeltaH* = 13.4 +/- 0.5 kcal/mol; DeltaS*= -24.3 +/- 1.7 cal/mol.K) were measure

182 ly ill adults allocated to energy-dense (1.5 kcal/ml) or routine (1.0 kcal/ml) enteral nutrition.Meas

183 r the hydride addition to the si-face is 1.5 kcal/mol lower than that to the re-face, with a predicte

184 ut MS2 coat protein-RNA measurements and 1.5 kcal/mol on an independent test set involving the signal

185 The destabilization is minimal (0.5-1.5 kcal/mol) when the mutation is toward the bilayer midpla

186 are characterized by a free energy of 1-1.5 kcal/mol, depending on the residues that constitute the

187 adaptation was seen at W13 (-26.8 +/- 121.5 kcal/d, P = 0.214).

188 he Br(-) anion was found to be 0.63 eV (14.5 kcal mol(-1) ).

189 easing the binding affinity to DeltaG= -15.5 kcal/mol upon formation of heteroternary complexes throu

190 interactions, each with large energies (3-5 kcal/mol).

191 o have interaction strengths of 0.15 eV (3.5 kcal mol(-1) ) and 0.12 eV (2.8 kcal mol(-1) ).

192 slightly higher rotational barriers (3.2-3.5 kcal/mol) than those carrying one ethynyl and one tert-b

193 the free energy of Pd dimerization as <-4.5 kcal/mol for Pd(2)(II,III) and <-9.1 kcal/mol for Pd(III

194 /- 6.3 kcal/kg body weight (range: 20.4-48.5 kcal/kg body weight).

195 trol (mean: -2.3 kcal/d; 95% CI: -58.0, 53.5 kcal/d).

196 etramethylpiperdine-N-hydroxide, BDFE = 66.5 kcal/mol in THF), forming the hydroperoxide species HP a

197 with an elevated activation energy (Ea = 7.5 kcal/mol) and the wild type (WT) mADA (Ea = 5.0 kcal/mol

198 eroxide species HP was calculated to be 73.5 kcal/mol, employing the thermodynamic square scheme and

199 ] bond of (#6094)C(68) is reduced by about 5 kcal.mol(-1), the DA cycloaddition becoming more regiose

200 ed 400-560 kcal/d (sucrose treatments) or <5 kcal/d (LCS treatments).

201 cage is reduced dramatically by more than 5 kcal mol(-1) compared to that in bulk solution.

202 E(S-T) = -2.71 kcal/mol for CBN1(2+), -2.50 kcal/mol for CBN2(2+), and -2.00 kcal/mol for CBN2(4+)).

203 ene complex to have a BDFE(C-H) value of ~50 kcal mol(-1) , roughly equal to the BDFE(Fe-H) of its Fe

204 erivatives are computed to be higher than 50 kcal mol(-1), while the barriers for the formation of al

205 Energy supplied at around 3,500 kcal/cap/d minimized mortality across ages.

206 ith a reduced-calorie diet, aiming for a 500 kcal per day deficit from baseline energy intake, and in

207 ect calorimetry in late phase (1,878 +/- 517 kcal) was significantly higher than during acute phase (

208 min) and AMR assessment (maximum bias = 0.53 kcal/min).

209 rgy requirements early in pregnancy (34+/-53 kcal/d, P=0.83).

210 (mean difference and 95% CI) 493 (454, 532) kcal of energy in men and 360 (328, 392) kcal in women.

211 smallest nanohoop [2]CPT is approximately 54 kcal mol(-1), which results in a narrowed HOMO-LUMO gap

212 480 (412, 575) compared with 394 (281, 554) kcal/d in spontaneously breathing and mechanically venti

213 mol(-1), respectively) cf. BDFE(Fe-H) of 56 kcal mol(-1) for [Fe(III)(eta(5)-Cp*)(dppe)H](+).

214 The beverages contained 400-560 kcal/d (sucrose treatments) or <5 kcal/d (LCS treatments

215 sults achieves a mean absolute error of 0.58 kcal mol(-1) (vs DFT) for BDEs of unseen molecules.

216 35.1, 146.4 kcal/d) and 20 KKW (mean: 123.6 kcal/d; 95% CI: 64.5, 182.7 kcal/d) groups compared with

217 to the more substituted alpha-carbon is 3.6 kcal/mol lower than that to the beta-carbon, thus favori

218 a hyperbase with a proton affinity of 324.6 kcal mol(-1) to a very strong hydride ion acceptor with

219 and programmed death-ligand-1 (PD-L1) (-9.6 kcal/mol).

220 B had higher total energy purchases (1,943.6 kcal/household member/day, 95% CI 1,901.7-1,985.6), a sm

221 kinetics, which were estimated to be 5 and 6 kcal/mol, respectively.

222 , unequivocally show that it is simply the 6 kcal mol(-1) higher proton affinity of F(-) that enables

223 th a low apparent activation energy of 17.60 kcal.mol(-1).

224 -served food portions (5.03 kcal; 0.47, 9.60 kcal), faster eating rates (0.40 g/min; 0.21, 0.59 g/min

225 vailability (HCHO: CHO ~12 g kg(-1) , EA~ 60 kcal kg(-1) fat free mass (FFM)), (2) reduced CHO but hi

226 at availability (LCHF: CHO ~3 ((-1) , EA~ 60 kcal kg(-1) FFM) or (3), reduced CHO and reduced energy

227 -146a deficient (KO) were fed with high (60% kcal) fat diet (HFD) for 16 weeks.

228 ntrol diet (CD; 10%kcal from fat) or HFD (60%kcal from fat) starting at post-natal day (PND) 30.

229 and consumed d3-alpha-tocopherol with a 600-kcal defined liquid meal (DLM; 40% or 0% fat, n = 10) fo

230 6-alpha-T and consumed d3-alpha-T with a 600-kcal DLM (40% or 0% fat) followed by controlled meals or

231 ril formation were -12.36, -8.10, and -10.61 kcal mol(-1), respectively.

232 n serum albumin ranged from -7.30 and -10.62 kcal/mol.

233 inally increased during the KD by 126 +/- 62 kcal/d (P = 0.063) and EEDLWDeltaRQ was only 46 +/- 65 k

234 s for RNA duplexes in 20% PEG 200 were ~0.65 kcal/mol closer to experimental DeltaG degrees 37 values

235 = 0.063) and EEDLWDeltaRQ was only 46 +/- 65 kcal/d higher (P = 0.49).

236 anism that has a free-energy barrier of 6.65 kcal.mol(-1).

237 tyl boronate complexes (strain energy ca. 65 kcal/mol), which were prepared by reacting boronic ester

238 utative Co(OOH) product has an O-H BDFE = 67 kcal mol(-1), which matches the observed pattern of reac

239 - 64, 831 +/- 61, 834 +/- 78, and 847 +/- 68 kcal, respectively) were similar (nonsignificant).

240 tic differences DeltaDeltaG(293 K) up to 0.7 kcal mol(-1) between diastereoisomeric complexes, is exp

241 putations reveals that the cis isomer is 0.7 kcal mol(-1) more stable than the trans isomer.

242 the Con group (8.2 +/- 0.5 vs. 11.2 +/- 0.7 kcal/d; P < 0.05).

243 dissociation of DeltaH(diss) = 17.2 +/- 1.7 kcal mol(-1) via van't Hoff analysis.

244 nglet-triplet energy gap, Delta E(ST) >= 1.7 kcal mol(-1), leading to nearly exclusive population of

245 h conformations, the average errors (0.4-1.7 kcal.mol(-1)) obtained across the data set for all metho

246 caloric intake by 9.1 kcal (95% UI 0.5-17.7 kcal), which would reduce the number of children (aged 5

247 e 10 was experimentally estimated to be 18.7 kcal/mol.

248 KKW (mean: 123.6 kcal/d; 95% CI: 64.5, 182.7 kcal/d) groups compared with control (mean: -2.3 kcal/d;

249 rilium cation 10 (computed Delta G( ) = 24.7 kcal at 50 degrees C).

250 E(T)(30) values ranging from nonpolar (40.7 kcal mol(-1)) to polar (47.4 kcal mol(-1)).

251 es classified as "not high-in" increased 5.7 kcal/capita/day (95% CI 5.7-5.7; p < 0.001), or 10.8% (1

252 membrane perturbation is in the order of 6-7 kcal/mol per protomer.

253 ficantly (P < 0.05) in the 8 KKW (mean: 90.7 kcal/d; 95% CI: 35.1, 146.4 kcal/d) and 20 KKW (mean: 12

254 es were exceptionally high at 103.4 and 91.7 kcal/mol, respectively, which are the highest condensed

255 ng REEWBC was the DRI at 3 mo postpartum (-7 kcal, -0.1%; absolute and percentage bias, respectively)

256 h bond dissociation free energy (BDFE) <= 70 kcal mol(-1).

257 let-triplet energy gap (Delta E(S-T) = -2.71 kcal/mol for CBN1(2+), -2.50 kcal/mol for CBN2(2+), and

258 /mol, with an in-plane pai-bond strain of 71 kcal/mol.

259 609 (592, 702) compared with 639 (479, 723) kcal/d in spontaneously breathing and mechanically venti

260 larger lunch intakes (7.05 kcal; 3.37, 10.74 kcal).

261 (2)) consumed an energy-restricted diet (788 kcal/d below the requirement) for eight weeks in a free-

262 tion, which has a significant barrier of 1.8 kcal mol(-1), is an important source of HF in interstell

263 lyst possesses a low activation energy (10.8 kcal mol(-1)) and a high turnover frequency (483 and 133

264 ctions and the t-butyl group amounts to 10.8 kcal/mol in the gas phase.

265 0.15 eV (3.5 kcal mol(-1) ) and 0.12 eV (2.8 kcal mol(-1) ).

266 rors of -17.7 +/- 226.9 g and -6.1 +/- 273.8 kcal using features derived from both video observations

267 ation barrier, DeltaG (*), is lowered by 4.8 kcal mol(-1) (0.21 eV).

268 y inserting a small stem-loop (DeltaG = -4.8 kcal/mol) in the middle of the mRNA 5' untranslated regi

269 Rh-H bond dissociation free energies of 51.8 kcal mol(-1) for (eta(5)-C(5)Me(5))Rh((Me)PhI)H and 51.1

270 programmed cell death protein-1 (PD-1) (-6.8 kcal/mol) and programmed death-ligand-1 (PD-L1) (-9.6 kc

271 the low potential MCOs corresponding to an 8 kcal/mol decrease in the driving force, exhibits a slowe

272 roup or 1 of 2 supervised exercise groups: 8 kcal/kg of body weight/wk (KKW) or 20 KKW.

273 was calculated as 81.8 +/- 1.5 (BDE = 86.8) kcal/mol.

274 low carbohydrate ketogenic diet (LCKD) (80% kcal from fat, ketogenic ratio 1.75:1, w/w) compared to

275 erwent an 8-wk low-calorie diet (LCD, at 800 kcal/d) and then were randomly assigned to a 6-mo weight

276 eased on average (mean +/- SD) by 158 +/- 81 kcal/d (P = 0.007).

277 However, EEDLW was 209 +/- 83 kcal/d higher during the KD (P = 0.023) but was not sign

278 aries from -26 kcal/mol for M = Cu, Zn to 85 kcal/mol for M = Ti.

279 studies, with a mean unsigned error of 0.86 kcal/mol and root mean square error of 1.11 kcal/mol, co

280 2 is able to cleave sp(3) C-H bonds up to 87 kcal/mol to afford rate constants and kinetic isotope ef

281 or energy balance (EEDLWDeltaRQ = 139 +/- 89 kcal/d; P = 0.14).

282 rimental guest binding affinities (MAD = 1.9 kcal mol(-1)) and identify the catalytic Diels-Alder pro

283 tion (DeltaDelta( ) G(L)(S)) by 7.1 and 10.9 kcal/mol, respectively.

284 om high-in beverage purchases decreased 11.9 kcal/capita/day (95% CI -12.0 to -11.9; p < 0.001) or 27

285 kcal/mol) than its helicene precursor (<11.9 kcal/mol), which makes this a promising strategy to acce

286 le energy from beverages in that class (17.9 kcal/household member/day, 95% CI 16.2-19.7).

287 12-15 kcal mol(-1) in "naked" cations to 5-9 kcal mol(-1) in the salts.

288 reduction of the energy of activation of 6.9 kcal.mol(-1), which is not sufficient for the reaction t

289 igh in ED (LED = 33 kcal/100 g or HED = 97.9 kcal/100 g, respectively), followed by an ad libitum mea

290 V (at pH 7, vs NHE) with D(O-H)(Ferric) = 90 kcal/mol.

291 ion energy of the C-H bonds cleaved by 4 (92 kcal/mol) is comparable to C-H bonds cleaved by IPNS (93

292 s 0.61 with a root-mean-square-error of 1.93 kcal/mol, which was significantly better than the other

293 comparable to C-H bonds cleaved by IPNS (93 kcal/mol).

294 e in the daily energy expenditure (IM: 4,939 kcal day(-1); SP-17: 6,461 kcal day(-1), p = 0.004); dif

295 arent activation energies of 17.13 and 24.94 kcal/mol within the energetic span model, respectively.

296 (at pH 7, vs NHE) with D(O-H)(Comp-II) = 95 kcal/mol and E(0')(Comp-II) = 0.99 V (at pH 7, vs NHE) w

297 s calculated by dividing the energy content (kcal/gram) of all SSBs by the total food consumption (in

298 d by the DFT computations to be within a few kcal mol(-1) of that in the neutral species.

299 3 high-fiber isocaloric diets differing in %kcal of carbohydrate, protein, or unsaturated fat on cir

300 C12 + Trp markedly reduced energy intake (kcal; control: 1,232 +/- 72, C12: 1,180 +/- 82, Trp: 1,2

301 d higher energy intake after 20:00 (4.14% of kcal; 95% CI: 1.67, 7.16).