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The "schisandra–evodia" herb pair (S–E) is a herbal preparation to treat Alzheimer's disease (AD). This study aims to investigate the therapeutic efficacy and potential mechanism of S–E in AD rats, utilizing pharmacodynamic assessments and serum‐ and urine‐based metabolomic analyses. Pharmacodynamic assessments included Morris water maze test, hematoxylin–eosin staining and immunohistochemistry experiments. The results of the study showed that the AD model was successful; the S–E significantly enhanced long‐term memory and spatial learning in AD rats. Meanwhile, S–E notably ameliorated Aβ25–35‐induced cognitive impairment, improved hippocampal neuron morphology, decreased Aβ deposition in the hippocampus and mitigated inflammatory damage. We then analyzed serum and urine samples using UPLC–MS/MS to identify potential biomarkers and metabolic pathways. Metabolomic analysis revealed alterations in 40 serum metabolites and 38 urine metabolites following S–E treatment, predominantly affecting pathways related to taurine and hypotaurine metabolism, linoleic acid metabolism, α‐linolenic acid metabolism, glycerophospholipid metabolism and arachidonic acid metabolism. This study elucidates the biochemical mechanism underlying AD and the metabolic pathway influenced by S–E, laying the groundwork for future clinical applications. [ABSTRACT FROM AUTHOR]

Efficient thin film composite polyamide (PA) membranes require optimization of interfacial polymerization (IP) process. However, it is challengeable owing to its ultrafast reaction rate coupled with mass and heat transfer, yielding heterogeneous PA membranes with low performance. Herein, a non‐isothermal‐controlled IP (NIIP) method is proposed to fabricate a highly permeable and selective PA membrane by engineering IP at the cryogenic aqueous phase (CAP) to achieve synchronous control of heat and mass transfer in the interfacial region. The CAP also enables the phase transition of the aqueous solution from the liquid to solid state, providing a more comprehensive understanding of the fundamental mechanisms involved in different phase states in the IP process. Consequently, the PA membrane exhibits excellent separation performance with ultrahigh water permeance (42.9 L m−2 h−1 bar−1) and antibiotic desalination efficiency (antibiotic/NaCl selectivity of 159.3). This study provides new insights for the in‐depth understanding of the precise mechanism linking IP to the performance of the targeting membrane. [ABSTRACT FROM AUTHOR]

We propose an effective highest occupied d‐orbital modulation strategy engendered by breaking the coordination symmetry of sites in the atomically precise Cu nanocluster (NC) to switch the product of CO2 electroreduction from HCOOH/CO to higher‐valued hydrocarbons. An atomically well‐defined Cu6 NC with symmetry‐broken Cu−S2N1 active sites (named Cu6(MBD)6, MBD=2‐mercaptobenzimidazole) was designed and synthesized by a judicious choice of ligand containing both S and N coordination atoms. Different from the previously reported high HCOOH selectivity of Cu NCs with Cu−S3 sites, the Cu6(MBD)6 with Cu−S2N1 coordination structure shows a high Faradaic efficiency toward hydrocarbons of 65.5 % at −1.4 V versus the reversible hydrogen electrode (including 42.5 % CH4 and 23 % C2H4), with the hydrocarbons partial current density of −183.4 mA cm−2. Theoretical calculations reveal that the symmetry‐broken Cu−S2N1 sites can rearrange the Cu 3d orbitals with dx2-y2 ${d_{x^2 - y^2 } }$ as the highest occupied d‐orbital, thus favoring the generation of key intermediate *COOH instead of *OCHO to favor *CO formation, followed by hydrogenation and/or C−C coupling to produce hydrocarbons. This is the first attempt to regulate the coordination mode of Cu atom in Cu NCs for hydrocarbons generation, and provides new inspiration for designing atomically precise NCs for efficient CO2RR towards highly‐valued products. [ABSTRACT FROM AUTHOR]

Aims: To evaluate the ability of carbohydrate antigen 125 (CA125), human epididymis protein 4 (HE4), risk of ovarian malignancy algorithm (ROMA), and Copenhagen Index (CPH‐I) to identify primary ovarian cancer (OC) from borderline and benign ovarian tumors (OTs) and explore ideal cutoff points. Methods: A total of 684 OTs containing 276 OC patients, 116 ovarian borderline OTs and 292 benign OTs patients who underwent surgery in our hospital were included. We retrospectively searched the results of CA125 and HE4 before patients' surgery from the hospital's electronic medical records system. ROMA and CPH‐I were calculated according to their menopausal status and age, respectively. Diagnostic performance of these four were assessed by drawing receiver operating characteristic (ROC) curves. Results: CA125, HE4, ROMA, and CPH‐I were all significantly higher in OC women compared with borderline OTs (p < 0.001), followed by benign OTs (p < 0.001). Area under the curves (AUCs) for distinguishing OC were 0.850 (0.818–0.882), 0.891 (0.865–0.916), 0.910 (0.888–0.933) and 0.906 (0.882–0.930), respectively, and the corresponding ideal cutoff values for CA125, HE4, ROMA, and CPH‐I were 132.5, 68.6, 23.8, and 6.4, respectively. The difference between ROMA and CPH‐I was not significant (p = 0.97), but both were higher than CA125 and HE4 (p < 0.05). HE4 showed a significantly higher AUC than CA125 (p < 0.05). For postmenopausal women, CA125 performed equivalently to ROMA (p = 0.73) and CPH‐I (p = 0.91). Conclusions: In identifying patients with OC, ROMA and CPH‐I outperformed single tumor marker. The diagnostic performance of HE4 was significantly higher than that of CA125. CA125 was more suitable for postmenopausal women. [ABSTRACT FROM AUTHOR]

We present the first example of charged imidazolium functionalized porphyrin‐based covalent organic framework (Co‐iBFBim‐COF‐X) for electrocatalytic CO2 reduction reaction, where the free anions (e.g. F−, Cl−, Br−, and I−) of imidazolium ions nearby the active Co sites can stabilize the key intermediate *COOH and inhibit hydrogen evolution reaction. Thus, Co‐iBFBim‐COF‐X exhibits higher activity than the neutral Co‐BFBim‐COF, following the trend of F−

On May 5, 2014, an earthquake with a magnitude of Mw 6.1 (the largest earthquake in Thailand so far) occurred in Chiang Rai of the Golden Triangle area in northern Thailand. We had an opportunity to conduct field survey immediately after the earthquake. Serious damage to buildings and casualties of lives were observed, and the estimated Maximum Mercalli Intensity (MMI) of the earthquake is VIII (evaluated according to the MMI scale of the Chinese Standard). No long continuous ground ruptures were produced during the earthquake, but in the epicenter (commonly within MMI VIII extent), massive small linear ruptures (usually several tens of meters long) developed and displayed intriguing structural features, offsetting many roads several centimeters left laterally on NE trending cracks or offsetting right laterally on NW trending ones. The focal mechanism solution of earthquake shows that this is a pure strike‐slip event, and two nodal planes in NW and NE directions had the same motion senses respectively as those of breakage associated with the earthquake. The long axis of the isoseismals and aftershock distributions are in NE direction, which is consistent with the strike of Luang Namtha fault. The 230‐km‐long Luang Namtha fault which starts from the border of China and Laos, runs through northern Laos, and terminates at Chiang Rai of Thailand is predominated by left‐lateral strike‐slip and active in late Quaternary, and two earthquakes over Ms 6.0 occurred along the fault in 1925 and 2007 respectively. This Mw 6.1 earthquake occurred at the southwestern end of the fault. All related features such as evident structural rupturing, elongated orientation of MMI and aftershock distribution, as well as the location of the epicenter, suggest that the Luang Namtha fault may be responsible for the 2014 Northern Thailand earthquake. [ABSTRACT FROM AUTHOR]

Quantum phononic systems have attracted great attention in quantum science and technology. However, it is quite difficult to realize strong phonon–phonon interactions at the few phonon level in phononic systems, since direct interactions between phonons are generally very weak. Here, the phonon transport properties and the phonon–phonon interactions in a 1D phononic waveguide with embedded silicon‐vacancy (SiV) centers are studied. The authors show that, mediated by the SiV centers, strong phonon–phonon interactions can be realized due to coherent interferences of the emitting phonon waves with the incident waves. In particular, the embedded color centers can induce an effective attractive or repulsive interaction in space for phonons, corresponding to phonon bunching or antibunching. Besides, it is found that a single SiV center can capture two resonant phonons simultaneously, forming a phononic bound state in the continuum. Comparing with photon–photon interactions in photonic systems, the phonon–phonon interactions are stronger for relatively slower phonon velocity and the strongly correlated phonon properties are promising for constructing various all‐phonon quantum devices in quantum information processing. [ABSTRACT FROM AUTHOR]

While screening for natural product scaffolds as potential anti‐Alzheimer's disease (AD), oxymatrine (OMT) was found to relieve symptoms of AD through diminishing death of neuronal cells caused by microglia‐induced inflammation. In this study, 13 derivatives of OMT were synthesized and their neuroprotective effects were evaluated on Aβ1‐42‐induced PC12 cells using MTT method. In addition, the best neuroprotective potencies were obtained with compounds 4, 6e, and 6f, which were selected for evaluation of decrease in IL‐1β and TNF‐α in Aβ1‐42‐treated PC12 cells. Collectively, these data reveal that derivatives 6e and 6f possess the best ability of diminish IL‐1β production and reverse cell damage in all compounds, which are possible to develop as therapeutic agents for AD. [ABSTRACT FROM AUTHOR]

Medium‐entropy (Ti,Zr,Hf)C ceramics were prepared by hot pressing a dual‐phase medium‐entropy carbide powder with low oxygen content (0.45 wt%). The results demonstrate that the medium‐entropy (Ti,Zr,Hf)C ceramics sintered at 2100°C had a relative density of 99.2% and an average grain size of 1.9 ± 0.6 μm. The flexural strength of (Ti,Zr,Hf)C carbide ceramics at room temperature was 579 ± 62 MPa. With an increase in temperature to 1600°C, the flexural strength showed an increase up to 619 ± 57 MPa, and had no significant degradation even up to 1800°C. The high‐temperature flexural strengths of (Ti,Zr,Hf)C were obviously higher than those of the monocarbide ceramics (TiC, ZrC, and HfC). The primary strengthening mechanism in (Ti,Zr,Hf)C could be attributed to the high lattice parameter mismatch effects between TiC and ZrC, which not only inhibited the fast grain coarsening of (Ti,Zr,Hf)C ceramics, but also increased the grain‐boundary strength of the obtained ceramics. [ABSTRACT FROM AUTHOR]

Himalayan leucogranites are widely distributed in the North Himalayan gneiss dome (NHGD) and at the top of the Greater Himalayan Crystalline Complex (GHC) and are generally controlled by detachment faults. The ages of these prekinematic, synkinematic, and postkinematic leucogranites can be used to limit the activity of detachment structures (such as the South Tibetan Detachment System, STDS). Research on the STDS activity time in the eastern Himalayas is relatively sparse. In this study, the zircon and monazite U–Th–Pb geochronology of synkinematic and postkinematic leucogranites, which are affected by the STDS and NHGD, in four areas (Lhozhag, Kuju, Xiaozhan, and Cuonadong) in Shannan City, Tibet, China, was measured. The results show that the oldest synkinematic two‐mica granite from Lhozhag, which is affected by the STDS, is 24–25 Ma, so the time of STDS activity is at or slightly earlier than 25 Ma. The youngest synkinematic leucogranite is the garnet‐bearing muscovite granite in Cuonadong at 18.4 Ma. The oldest undeformed postkinematic leucogranite (not affected by the STDS) is the muscovite granite in Xiaozhan at 17.4 Ma. Therefore, the end of STDS activity can be limited to 18.4–17.4 Ma. The STDS includes three forms: detachment fault in the NHGD (northern extension of the STDS), the inner STDS between the GHC and Tethyan Himalayan Sequence, and the outer STDS at the bottoms of synformal klippes. In this paper, the active time limits of the above three kinds of detachment zones are comprehensively summarized. Based on this work, the northward extension (ductile deformation) time of the STDS in the region is considered to be 28–17 Ma. The exhumation of the GHC is mainly controlled by in‐sequence shearing: first, the South Tibet Thrust system (predecessor of the STDS) at the top of the GHC thrust southward at 45–28 Ma, then the High Himalayan Discontinuity fault in the middle of the GHC forms south‐vergent ductile thrusts at 28–17 Ma, and finally, the Main Central Thrust at the bottom of the GHC thrust southward at 17–9 Ma. [ABSTRACT FROM AUTHOR]

Miocene postcollisional potassic and adakitic rocks are widely distributed in the southern Lhasa terrane and western central Lhasa terrane. However, coeval potassic and adakitic rocks in eastern central Lhasa terrane were rarely recognized, and their origins and formation mechanism remain controversial. In this paper, we provide new geochronological and geochemical data for the Miocene postcollisional potassic and adakitic intrusions exposed in the Qingdu area, eastern central Lhasa terrane, southern Tibet. The Qingdu Miocene intrusions consist of quartz monzonite porphyry and biotite granite with coeval zircon U–Pb ages of 14.1 Ma and 14.0 Ma, respectively. They have high SiO2 (67.98–75.32 wt.%), Al2O3 (14.13–14.78 wt.%), and K2O (4.06–6.18 wt.%) and low MgO (0.25–1.46 wt.%) contents. They are both enriched in light rare earth elements (LREEs) and depleted in heavy rare earth elements (HREEs), with high (La/Yb)N (25.37–42.32) ratios. The biotite granite samples have low Y (7.10–9.96 ppm) and Yb (0.61–0.85 ppm) contents, and high Sr (229–384 ppm) contents and high Sr/Y (30–41) ratios, which show adakitic geochemical characteristics, whereas the quartz monzonite porphyry samples show potassic geochemical characteristics. They display initial (87Sr/86Sr)i ratios of 0.7083–0.7103, εHf(t) values of −6.7 to −0.1, εNd(t) values of −8.96 to −7.44, (208Pb/204Pb)i ratios of 39.028–39.110, (207Pb/204Pb)i ratios of 15.662–15.684, and (206Pb/204Pb)i ratios of 18.541–18.577. These signatures indicate that both the potassic and adakitic intrusions are more likely to originate from partial melting of a thickened lower crust, which were mainly the products of the binary mixing between the juvenile and ancient crust components. Based on the spatial distributions and isotopic features of the postcollisional potassic and adakitic rocks in the Lhasa terrane, we suggest that the differences of the lower crustal composition played a crucial role in causing the geochemical variations of the Miocene postcollisional adakitic and potassic rocks in Lhasa terrane. [ABSTRACT FROM AUTHOR]

The Cuonadong Dome in southern Tibet is a newly discovered gneiss dome in the Tethys Himalaya. Here, we investigate the Late Cambrian augen gneiss (orthogneiss) within the core of this dome to address the controversy surrounding early Palaeozoic tectonic evolution of the northern margin of eastern Gondwana. We report new zircon laser ablation multicollector inductively coupled plasma mass spectrometry (LA‐(MC‐)ICP‐MS) U‐Pb ages, Lu‐Hf isotopes, whole‐rock major and trace element geochemistry, and Sr‐Nd‐Pb data on representative samples from the granitic gneiss. The weighted mean of 116 analyses of zircon grains yields an age of 498.2 ± 1.5 Ma (mean square weighted deviation [MSWD] = 1.2). Forty‐one spots analyses on these grains show consistent εHf (t) values of −2 to +4 (average = +1.1), corresponding to Hf crustal model age (TDM2) of 1.3 to 1.6 Ga (average = 1.39 Ga). The orthogneiss (metagranite) is characterized by high Si and K contents, with low Al, Mg, and Ti, and A/CNK values ranging from 0.87 to 0.98 with an average of 0.92, indicating a metaluminous composition and I‐type granitoid affinity. The granitoid displays significant enrichment in light rare earth elements (LREEs) and relatively flat high rare earth element (HREE) patterns, with strong negative Eu anomalies (Eu/Eu* = 0.26–0.31). The primitive mantle‐normalized trace elements show a relative enrichment in large‐ion lithophile elements, such as Rb, and high‐field strength elements, such as Th, U, Zr, and Hf, with depletion in Ba, Nb, Ta, Sr, P, and Ti. The rocks show high initial 87Sr/86Sr ratios (0.7221–0.7248) and low εNd (t) values (−8.9 to −7.3) with Nd model ages (TDM) of 1.79–1.91 Ga. Their radiogenic Pb isotopic compositions show (206Pb/204Pb)t = 18.804–19.110, (207Pb/204Pb)t = 15.730–15.768, and (208Pb/204Pb)t = 38.409–39.054, indicating an ancient upper middle continental crustal origin. Our study shows that the protolith of the metagranite was most likely derived from the partial melting of upper continental crust with a minor contribution of depleted mantle materials. Through integration of the regional information on early Palaeozoic magmatism and metamorphic events, we contend that the protolith of the Cuonadong granitic gneiss formed in an accretionary setting associated with the early Palaeozoic Proto‐Tethys Oceanic plate subduction beneath the Gondwana continent. [ABSTRACT FROM AUTHOR]

Allophycocyanin B (AP-B) is one of the two terminal emitters in phycobilisomes, the unique light-harvesting complexes of cyanobacteria and red algae. Its low excitation-energy level and the correspondingly redshifted absorption and fluorescence emission play an important role in funnelling excitation energy from the hundreds of chromophores of the extramembraneous phycobilisome to the reaction centres within the photosynthetic membrane. In the absence of crystal structures of these low-abundance terminal emitters, the molecular basis for the extreme redshift and directional energy transfer is largely unknown. Here, the crystal structure of trimeric AP-B [(ApcD/ApcB)3] from Synechocystis sp. PCC 6803 at 1.75 Å resolution is reported. In the crystal lattice, eight trimers of AP-B form a porous, spherical, 48-subunit assembly of 193 Å in diameter with an internal cavity of 1.1 × 106 Å3. While the overall structure of trimeric AP-B is similar to those reported for many other phycobiliprotein trimers, the chromophore pocket of the α-subunit, ApcD, has more bulky residues that tightly pack the phycocyanobilin (PCB). Ring D of the chromophores is further stabilized by close interactions with ApcB from the adjacent monomer. The combined contributions from both subunits render the conjugated rings B, C and D of the PCB in ApcD almost perfectly coplanar. Together with mutagenesis data, it is proposed that the enhanced planarity effectively extends the conjugation system of PCB and leads to the redshifted absorption (λmax = 669 nm) and fluorescence emission (679 nm) of the ApcD chromophore in AP-B, thereby enabling highly efficient energy transfer from the phycobilisome core to the reaction centres. [ABSTRACT FROM AUTHOR]

A W‐band waveguide bandpass filter, based on coupled TM120 resonators, fabricated using CNC milling, is presented. TM120 resonators are superior to conventional TE101 resonators, in terms of having a larger size and reduced aspect ratio, which facilitates the fabrication process as well as allowing larger tolerances in the milling process. This type of resonator also offers a high unloaded quality factor, and ultimately yields a small insertion loss for the filter. A W‐band filter, with a centre frequency of 100 GHz and a fractional bandwidth of 6%, is designed using four TM120 resonators and constructed from three brass shims which directly fit to the waveguide flanges. This filter is measured to have a median passband insertion loss of 0.5 dB and a return loss better than 13 dB across the whole passband. [ABSTRACT FROM AUTHOR]

By reformulating the linear complementarity problem into a new equivalent fixed-point equation, we deduce a modified modulus method, which is a generalization of the classical one. Convergence for this new method and the optima of the parameter involved are analyzed. Then, an inexact iteration process for this new method is presented, which adopts some kind of iterative methods for determining an approximate solution to each system of linear equations involved in the outer iteration. Global convergence for this inexact modulus method and two specific implementations for the inner iterations are discussed. Numerical results show that our new methods are more efficient than the classical one under suitable conditions. Copyright © 2008 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Aim: To evaluate the efficacy and safety of diacerein in patients with knee osteoarthritis (OA). Methods: A total of 223 patients fulfilling the American College of Rheumatology criteria for knee OA were enrolled in this 17-week, randomized, double-dummy, diclofenac-controlled trial, with diacerein dosages of 100 mg/day and diclofenac sodium administered at 75 mg/day. Result: After 12 weeks of treatment, the total efficacy rates of patient/physician global assessment in diacerein and diclofenac groups were 65.4%/61.6% and 61.2%/61.2% respectively ( P > 0.05). In the intent-to-treat population, the primary criterion (visual analogue scale [VAS] assessment of pain on walking 20 m) was significantly superior ( P < 0.05) to baseline in both two groups. Significant improvement ( P < 0.05) was also observed for the secondary criteria, which included tenderness on palpation, Western Ontario and McMaster Universities OA index (WOMAC) and Short-Form Health Survey (SF-36). In the follow-up period, there were no obvious changes in the above parameters in the diacerein group. However, in the diclofenac group, pain on walking 20 m, tenderness on palpation and WOMAC became worse after withdrawing the medications for 4 weeks. Moreover, the consumption of paracetamol was significantly lower in the diacerein group than in the diclofenac group during the follow-up period. The incidence of related adverse events were 35.7% in diacerein and 45.1% in diclofenac group ( P > 0.05). Mild-to-moderate gastrointestinal disorders were the most frequent adverse events. Conclusion: Diacerein was shown to be as effective as diclofenac sodium in treating patients with knee OA, coupled with a carry-over effect. Diacerein was generally well tolerated, with a good safety profile. No severe adverse events were occurred. [ABSTRACT FROM AUTHOR]

The crystal structure of a potato calmodulin (PCM6) was solved by molecular replacement and refined to a crystallo-graphic R factor of 22.8% (Rfree = 25.0%) using X-ray diffraction data in the resolution range 8.0--2.0 Å. This is the first report of the three-dimensional structure of a plant Ca 2+ - calmodulin. PCM6 crystallizes in a crystal form that belongs to space group P21 21 21, which is different to that of most other calmodulin crystals. The main structural difference between PCM6 and the other calmodulins is in the central helix region and appears to be caused by crystal packing. The surface properties of PCM6 molecules were compared with those of animal calmodulins, which provided an explanation for the unique crystal-packing state of PCM6. [ABSTRACT FROM AUTHOR]

The crystal structure of C-phycocyanin from the cyano-bacterium S. platensis has been determined at 2.2 Å resolution. The crystals belong to the monoclinic crystal form, which has not been previously reported for phycobiliprotein structures. The structure was solved using the molecular-replacement method with a final R value of 18.9% (Rfree = 23.7%) after model building and refinement. In the crystals used for the study, the C-phycocyanin hexamers formed by face-to-face association of two trimers are arranged in layers rather than in columns. Three different kinds of packing between adjacent hexamers in the layer were compared. The tight packing of two adjacent hexamers formed by four trimers in the asymmetric unit brings β155 PCB chromophores close together, so it is possible that lateral energy transfer takes place through the β155-β155 route. [ABSTRACT FROM AUTHOR]

Investigates the crystallization and crystallographic analysis of pyridoxal kinase from sheep brain. Involvement of pyridoxal phosphate in the metabolism of amino acids; Dimensional structure of the enzyme; Use of vapor-diffusion method in the crystallization process.

A thermostable β-glycosidase (Tn-gly) from Thermus nonproteolyticus HG102 has been cloned and overexpressed in Escherichia coli. The recombinant enzyme, with a molecular mass of 48.9 kDa, was purified to homogeneity. It can hydrolyze a wide range of oligosaccharides and perform transglycosylation. Crystals of the recombinant enzyme were grown by the hanging-drop vapour- diffusion technique with MPD and NaCl as precipitants. They belong to the orthorhombic space group P212121, with unit-cell parameters a = 66.7, b = 94.6, c = 176.5 Å. [ABSTRACT FROM AUTHOR]

In the title compound, C21H21ClN2O2, the pyrazole and chlorobenzene rings are coplanar and make a dihedral angle of 79.7 (2)° with the tert-butylbenzene ring. The crystal structure displays intermolecular O—H...O hydrogen bonding. [ABSTRACT FROM AUTHOR]

In the title compound, C19H18N2O2, the dihedral angles made by the central pyrazole ring with the benzyl and phenyl rings are 87.00 (9) and 15.23 (9)°, respectively. There is a short intermolecular interaction between a C—H bond and the benzyl ring. [ABSTRACT FROM AUTHOR]

In the structure of the title compound, C17H16O5, the dihydrofuran ring adopts an envelope conformation while the methylenedioxyphenyl ring system is essentially planar. The vinyl group is inclined to the dihydrofuran ring by 30.22 (12)°. The dihedral angle between the atoms defining the planar part of the dihydrofuran ring and the aryl ring is 19.12 (8)° [ABSTRACT FROM AUTHOR]

In the title structure, C23H25ClN2O2, there are weak intramolecular C—H...N and C—H...O hydrogen bonds. There is a C=O... Cg interaction ( Cg is the centroid of the pyrazole ring) and the distance between the centroids of the ring and the C=O bond is 3.017 (3) Å. The angle between the pyrazole ring and the chlorophenyl ring is 12.85 (13)°. The crystal packing is stabilized mainly by van der Waals forces. [ABSTRACT FROM AUTHOR]

In the title compound, C19H17ClN2O2, all non-H atoms except for the benzyl substituent are coplanar to within 0.044 Å. [ABSTRACT FROM AUTHOR]

In the structure of the title compound, [Fe(C5H5)(C13H14BrN2O2)], the two cyclopentadienyl (Cp) rings are in an eclipsed conformation and are parallel. The dihedral angle between the substituted Cp ring and the heterocyclic ring is 8.20°. [ABSTRACT FROM AUTHOR]

In the title compound, C16H12ClN3O2, the pyrazole ring makes dihedral angles of 4.6 (1) and 67.1 (1)° with the phenyl and pyridine rings, respectively. The structure displays O—H...N hydrogen bonding. [ABSTRACT FROM AUTHOR]