809 research outputs found
Poly[[diaquabis(μ2-isonicotinato-κ2 N:O)bis(μ3-isonicotinato-κ3 N:O:O′)neodymium(III)disilver(I)] nitrate monohydrate]
In the title complex, {[Ag2Nd(C6H4NO2)4(H2O)2]NO3·H2O}n, the NdIII ion is coordinated by eight O atoms from six isonicotinate ligands and two water molecules in a distorted square antiprismatic geometry. Each AgI ion is coordinated by two N atoms from two different isonicotinate ligands. The crystal structure exhibits a two-dimensional heterometallic polymeric layer. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules and intralayer π–π interactions between the pyridine rings [centroid–centroid distances = 3.571 (2) and 3.569 (2) Å] are observed. Each layer interacts with two neighboring ones via Ag⋯O(H2O) contacts and interlayer π–π interactions [centroid–centroid distances = 3.479 (3) to 3.530 (3) Å], leading to a three-dimensional supramolecular network
Poly[diaquabis(μ4-fumarato-κ4 O 1:O 1′:O 4:O 4′)(μ4-fumarato-κ6 O 1:O 1,O 1′:O 4:O 4,O 4′)(μ2-fumaric acid-κ2 O 1:O 4)dipraseodymium(III)]
The title complex, [Pr2(C4H2O4)3(C4H4O4)(H2O)2]n, was synthesized by reaction of praseodymium(III) nitrate hexahydrate with fumaric acid in a water–ethanol (4:1) solution. The asymmetric unit comprises a Pr3+ cation, one and a half fumarate dianions (L
2−), one half-molecule of fumaric acid (H2L) and one coordinated water molecule. The carboxylate groups of the fumarate dianion and fumaric acid exhibit different coordination modes. In one fumarate dianion, two carboxylate groups are chelating with two Pr3+ cations, and the other two O atoms each coordinate a Pr3+ cation. Each O atom of the second fumarate dianion binds to a different Pr3+ cation. The fumaric acid employs one O atom at each end to bridge two Pr3+ cations. The Pr3+ cation is coordinated in a distorted tricapped trigonal–prismatic environment by eight O atoms of fumarate dianion or fumaric acid ligands and one water O atom. The PrO9 coordination polyhedra are edge-shared through one carboxylate O atom and two carboxylate groups, generating infinite praseodymium–oxygen chains, which are further connected by the ligands into a three-dimensional framework. The crystal structure is stabilized by O—H⋯O hydrogen-bond interactions between the coordinated water molecule and the carboxylate O atoms
Toksičnost aromatskih ketona za stanice kvasca i ubrzanje njihove redukcije primjenom adsorpcijskih smola
Asymmetric reduction of the prochiral aromatic ketone catalyzed by yeast cells is one of the most promising routes to produce its corresponding enantiopure aromatic alcohol, but the space-time yield does not meet people’s expectations. Therefore, the toxicity of aromatic ketone and aromatic alcohol to the yeast cell is investigated in this work. It has been found that the aromatic compounds are poisonous to the yeast cell. The activity of yeast cell decreases steeply when the concentration of acetophenone (ACP) is higher than 30.0 mmol/L. Asymmetric reduction of acetophenone to chiral S-α-phenylethyl alcohol (PEA) catalyzed by the yeast cell was chosen as the model reaction to study in detail the promotion effect of the introduction of the resin adsorption on the asymmetric reduction reaction. The resin acts as the substrate reservoir and product extraction agent in situ. It has been shown that this reaction could be remarkably improved with this technique when the appropriate kind of resin is applied. The enantioselectivity and yield are acceptable even though the initial ACP concentration reaches 72.2 mmol/L.Asimetrična redukcija prokiralnih aromatskih ketona, katalizirana stanicama kvasca, obećavajuća je metoda proizvodnje enantiomerno čistih aromatskih alkohola, no iskorištenje reakcije ne zadovoljava današnje potrebe. U radu je utvrđena toksičnost aromatskih ketona i alkohola za stanice kvasca. Aktivnost stanica kvasca naglo se smanjila pri koncentracijama acetofenona većim od 30 mmol/L. Kao model reakcije za detaljno ispitivanje pozitivnog učinka uvođenja adsorpcijskih smola odabrana je asimetrična redukcija acetofenona u kiralni S-α-feniletilni alkohol, katalizirana stanicama kvasca. Utvrđeno je da smola djeluje kao rezervoar supstrata i agens za ekstrakciju proizvoda in situ. Tako se odvijanje reakcije može znatno poboljšati uvođenjem prikladne smole. Enantioselektivnost i prinos su zadovoljavajući iako je početna koncentracija acetofenona dosegla čak 72,2 mmol/L
Peripheral Direct Adjacent Lobe Invasion Non-small Cell Lung Cancer Has a Similar Survival to That of Parietal Pleural Invasion T3 Disease
IntroductionThe postoperative prognosis of peripheral adjacent lobe invasion non-small cell lung cancer (NSCLC) is unclear. The purpose of this study was to determine the postoperative prognosis of NSCLC with direct adjacent lobe invasion by comparing it with that of visceral pleural invasion (primary lobe) T2 disease, and parietal pleural invasion T3 disease, and hence determine its most appropriate T category.MethodsA retrospective analysis was conducted to assess the survival of patients with peripheral direct adjacent lobe invasion NSCLC (group A), and it was compared with that of patients with visceral pleural invasion of the primary lobe (group B) and parietal pleural invasion (group C). All patients were node-negative on pathologic examination. Kaplan-Meier method was used to compare the postoperative survival between groups.ResultsA total of 263 patients were analyzed. The overall survival rates in groups A (n = 28), B (n = 167), and C (n = 68) at 5 years were 40.7, 54.6, and 41.9%, respectively; corresponding median survival in three groups were 53, 71, and 40 months, respectively. The survival difference among three groups was statistically significant (p = 0.031). A similar survival was observed between groups A and C, whereas group B had a much better survival than other groups.ConclusionsPeripheral adjacent lobe invasion NSCLC has a similar survival prognosis with that of parietal pleural invasion T3 disease and hence should be classified as T3 rather than T2. However, further studies are warranted
Poly[[aqua(μ2-oxalato)(μ2-2-oxidopyridinium-3-carboxylato)holmium(III)] monohydrate]
In the title complex, {[Ho(C2O4)(C6H4NO3)(H2O)]·(H2O)}n, the HoIII ion is coordinated by three O atoms from two 2-oxidopyridinium-3-carboxylate ligands, four O atoms from two oxalate ligands and one water molecule in a distorted bicapped trigonal-prismatic geometry. The 2-oxidopyridinium-3-carboxylate and oxalate ligands link the HoIII ions into a layer in (100). These layers are further connected by intermolecular O—H⋯O hydrogen bonds involving the coordinated water molecules to assemble a three-dimensional supramolecular network. The uncoordinated water molecule is involved in N—H⋯O and O—H⋯O hydrogen bonds within the layer
Poly[bis(4,4′-bipyridine)(μ3-4,4′-dicarboxybiphenyl-3,3′-dicarboxylato)iron(II)]
In the polymeric title complex, [Fe(C16H8O8)(C10H8N2)2]n, the iron(II) cation is coordinated by four O atoms from three different 4,4′-dicarboxybiphenyl-3,3′-dicarboxylate ligands and two N atoms from two 4,4′-bipyridine ligands in a distorted octahedral geometry. The 4,4′-dicarboxybiphenyl-3,3′-dicarboxylate ligands bridge adjacent cations, forming chains parallel to the c axis. The chains are further connected by intermolecular O—H⋯N hydrogen bonds, forming two-dimensional supramolecular layers parallel to (010)
Poly[(6-carboxypicolinato-κ3 O 2,N,O 6)(μ3-pyridine-2,6-dicarboxylato-κ5 O 2,N,O 6:O 2′:O 6′)dysprosium(III)]
In the title complex, [Dy(C7H3NO4)(C7H4NO4)]n, one of the ligands is fully deprotonated while the second has lost only one H atom. Each DyIII ion is coordinated by six O atoms and two N atoms from two pyridine-2,6-dicarboxylate and two 6-carboxypicolinate ligands, displaying a bicapped trigonal-prismatic geometry. The average Dy—O bond distance is 2.40 Å, some 0.1Å longer than the corresponding Ho—O distance in the isotypic holmium complex. Adjacent DyIII ions are linked by the pyridine-2,6-dicarboxylate ligands, forming a layer in (100). These layers are further connected by π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.827 (3) Å] and C—H⋯O hydrogen-bonding interactions, assembling a three-dimensional supramolecular network. Within each layer, there are other π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.501 (2) Å] and O—H⋯O and C—H⋯O hydrogen-bonding interactions, which further stabilize the structure
Poly[diaqua-μ-oxalato-μ-pyrazine-2-carboxylato-lanthanum(III)]
In the title complex, [La(C5H3N2O2)(C2O4)(H2O)2]n, the LaIII ion is coordinated by one N and three O atoms from two pyrazine-2-carboxylate ligands, by four O atoms from two oxalate ligands and by two O atoms of two water molecules, displaying a distorted bicapped square-antiprismatic geometry. The carboxylate groups of pyrazine-2-carboxylate and oxalate ligands link the lanthanum metal centres, forming layers parallel to (10). The layers are further connected by intermolecular O—H⋯O and N—H⋯O hydrogen-bonding interactions, forming a three-dimensional supramolecular network
Poly[[aqua(μ2-oxalato)(μ2-2-oxidopyridinium-3-carboxylato)dysprosium(III)] monohydrate]
In the title complex, {[Dy(C6H4NO3)(C2O4)(H2O)]·H2O}n, the DyIII ion is coordinated by seven O atoms from two 2-oxidopyridinium-3-carboxylate ligands, two oxalate ligands and one water molecule, displaying a distorted bicapped trigonal-prismatic geometry. The carboxylate groups of the 2-oxidopyridinium-3-carboxylate and oxalate ligands link dysprosium metal centres, forming layers parallel to (100). These layers are further connected by intermolecular O—H⋯O hydrogen-bonding interactions involving the coordinated water molecules, forming a three-dimensional supramolecular network. The uncoordinated water molecule is involved in N—H⋯O and O—H⋯O hydrogen-bonding interactions within the layer
Research on the X-Ray Polarization Deconstruction Method Based on Hexagonal Convolutional Neural Network
Track reconstruction algorithms are critical for polarization measurements.
In addition to traditional moment-based track reconstruction approaches,
convolutional neural networks (CNN) are a promising alternative. However,
hexagonal grid track images in gas pixel detectors (GPD) for better anisotropy
do not match the classical rectangle-based CNN, and converting the track images
from hexagonal to square results in loss of information. We developed a new
hexagonal CNN algorithm for track reconstruction and polarization estimation in
X-ray polarimeters, which was used to extract emission angles and absorption
points from photoelectron track images and predict the uncertainty of the
predicted emission angles. The simulated data of PolarLight test were used to
train and test the hexagonal CNN models. For individual energies, the hexagonal
CNN algorithm produced 15-30% improvements in modulation factor compared to
moment analysis method for 100% polarized data, and its performance was
comparable to rectangle-based CNN algorithm newly developed by IXPE team, but
at a much less computational cost.Comment: 21 pages, 12 figures, submitted to NS
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