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A dual-channel “on–off–on” fluorescent carbon dot was developed for specific detection of Fe3+ and Hg2+, which can be distinguished by F− and Al3+. The probe was practically applied in quantification of Fe3+ and Hg2+ in livestock feed and wastewater.

A novel dual-emissive Eu

Tetracyclines (TCs), a type of antibiotics, are widely used in human therapy and animal husbandry. Public concerns about tetracyclines residues have been raised due to their negative impact on the environment and food, causing bacterias drug resistance and human health concerns. In this work, a luminescent europium MOF (EuUCBA) is constructed via post-synthetic attachment of Eu

Phosgene is an indispensable industrial gas that has high toxicity, and has been used as a chemical warfare agent, meaning that it poses a great threat to public security in the case of accidental leakage or terrorist attack. To monitor toxic phosgene, herein, we devised a facile and reliable optical sensor (BODIPY–OHA) based on o-hydroxyaniline (OHA) and BODIPY. The adjacent hydroxyl and amino groups in OHA synergistically couple with phosgene to form benzoxazolinone, thus BODIPY–OHA displays a remarkable color change from light green to yellow and a synchronous fluorescence turn-on response towards phosgene. The sensor can be used to specifically sense phosgene, with some favorable merits such as instantaneous response, ultralow detection limit (0.22 nM), noticeable color and fluorescence changes, as well as a high signal-to-noise ratio. Furthermore, this sensor was fabricated as portable membrane strips to serve as an easy-to-handle kit for highly specific, instantaneous, sensitive and visual detection of gaseous phosgene. Moreover, a simple RGB pattern from the fluorescence of test strips was established to allow quantitative determination of the level of phosgene, which was successfully used to monitor the leakage of phosgene. Therefore, these test strips have great potential for monitoring phosgene in public places and industrial production in the case of accidental leakage or terrorist attack.

Sulfur dioxide derivatives are intimately involved in some physiological processes in organisms, and high levels of these substances can cause many diseases. Herein, we rationally prepared a mitochondrion-targeting, in situ-activatable near-infrared (NIR) fluorescent probe (DCQN) by coupling 2-(3,5,5-trimethylcyclohex-2-enylidene)malononitrile with 3-quinolinium carboxaldehyde. DCQN displayed a NIR fluorescence turn-on signal to indicate the presence of HSO3-, along with a considerable hyperchromic shift from light yellow to purple via a 1,4-nucleophilic addition reaction. We were able to use DCQN to instantaneously and quantitatively determine the concentration of HSO3- with high specificity, a low detection limit (24 nM), a large Stokes shift (∼110 nm), and a high contrast ratio. Moreover, DCQN displayed good mitochondrion-targeting abilities and was in situ-activated by HSO3- to produce NIR fluorescence for imaging HSO3- in the mitochondria of live breast cancer cells. Furthermore, DCQN was used to monitor HSO3- in zebrafish with a high contrast ratio.

Background Interleukin-33 is recently identified as a brain injury biomarker. We determined whether serum interlerukin-33 concentrations are associated with inflammation, severity and prognosis after traumatic brain injury (TBI). Methods We detected serum interlerukin-33 concentrations of 102 healthy controls and 102 severe TBI patients, as well as serum concentrations of 3 inflammatory biomarkers (interleukin-6, tumor necrosis factor-alpha and C-reactive protein) and 7 cell-specific proteins (myelin basic protein, glial fibrillary astrocyte protein, S100B, neuron-specific enolase, phosphorylated axonal neurofilament subunit H, Tau and ubiquitin carboxyl-terminal hydrolase L1) in 102 severe TBI patients. The recorded poor prognosis variables included acute lung injury, acute traumatic coagulopathy, progressive hemorrhagic injury, posttraumatic cerebral infarction and six-month mortality and poor outcome (Glasgow score of 1–3). Results Median interlerukin-33 concentration of patients (692 pg/mL) was substantially raised, as compared to controls. Interlerukin-33 concentrations were significantly correlated with Glasgow coma scale (GCS) score and the preceding biomarkers concentrations. Interlerukin-33 concentration > 692 pg/mL emerged as an independent prognostic predictor and its discriminatory capability exceeded those of the above-mentioned inflammatory biomarkers concentrations and was in the range of GCS scores and the aforementioned cell-specific proteins concentrations. Conclusion Ascending serum interlerukin-33 concentrations could reflect inflammation, severity and worse prognosis following TBI.

We developed a QuEChERS (quick, easy, cheap, effective, rugged and safe) method for the high through-put determination of 28 common veterinary antibiotics in swine wastewater using one-step dispersive solid-phase extraction (d-SPE) for sample cleanup and ultra-performance liquid chromatography-tandem mass spectrometry for detection. The orthogonal test method was used to systematically investigate the parameters that might influence d-SPE efficiency. The optimal d-SPE procedure utilized 40 mg primary secondary amine sorbent and 3 g L-1 Na2EDTA. The recoveries ranged from 50 to 100% with relative standard deviations

Sodium sulfite (Na2SO3) is widely used as a food additive, but the excessive residue of SO32− in food can cause irritative effects and damages to the human body. In this study, we reported a novel near-infrared (NIR) fluorescent probe (DCMQ) for visual detection of SO32− based on a chromogenic reaction. The probe can quantitatively determine SO32− with high specificity and sensitivity, fast response (

An europium functionalized metal-organic fluorescent probe, Eu3+@UiO-66-FDC was constructed by post-synthetic modification through coordination interactions. Eu3+@UiO-66-FDC displayed high selectivity and sensitivity toward Tryptophan (Trp) among all the 20 natural amino acids and other general compounds in food and biological samples, with a wide linear concentration range (0–1000 μM), low detection limit (0.29 μM), and a rapid response (

Thiabendazole (TBZ), has been extensively employed as a pesticide and/or a fungicide in agriculture, while its residues would threaten to public health and safety. Simple, rapid and sensitive probes for detection of TBZ in real food samples is significantly desirable. In present work, a highly selective and sensitive luminescent sensor for monitoring TBZ in oranges has been constructed based on a Tb

Hydrazine (N

A novel colorimetric and ratiometric fluorescent probe (Cou-BPO) was readily prepared for specific detection of harmful benzoyl peroxide (BPO). The probe Cou-BPO reacted with BPO via a selective oxidation cleavage-induced cascade reaction of the pinacol phenylboronate group, which resulted in an observable colorimetric and ratiometric fluorescence response towards BPO with a fast response time (

In this work, a metal-organic framework UiO-66-(COOH)

Excessive sulfite is harmful to human health. To monitor the sulfite level in food, living cells, and organisms, we herein present a high-performance near-infrared (NIR) fluorescent probe DCQN that exhibits chromogenic and NIR fluorescence turn-on response towards sulfite with a rapid response time of 4.5 s, unique specificity, a low detection limit of 24 nM, and a large Stokes shift. DCQN was used for the facile and accurate determination of the sulfite level in real food with high sensitivity and good recoveries (93–105%). In particular, the sulfite present in food samples can be in situ visually detected by DCQN in terms of chromogenic reaction along with fluorescence turn-on indicator. Moreover, DCQN was incorporated into agar hydrogel to serve as a convenient, cheap and portable device for the fast and visual on-site detection of sulfite in food. Furthermore, DCQN was used to achieve in situ tracking and imaging of sulfite in MCF-7 cells and zebrafish with a high contrast ratio and high sensitivity.

Enrofloxacin is a broad spectrum antibacterial agent with an excellent killing effect against bacteria, commonly infecting the respiratory and intestinal tracts of livestock and poultry. However, its bitter taste and significant irritation to the gastrointestinal tract often lead to a failure of the commonly used current drug delivery system to achieve the desired therapeutic effect due to inefficient release of drugs. In the present study, pH-responsive enrofloxacin nanoparticles (ENR-NPs) for treating bacterial infections were fabricated through a facile one-pot approach to achieve the amphiphilic functionalization of chitosan (CS) through acid-labile Schiff-base with cinnamaldehyde and drug encapsulation. The structure and morphology of ENR-NPs were characterized by FTIR, X-Ray Diffraction (XRD), transmission electron microscopy (TEM), and dynamic light scattering (DLS). The ENR-NPs were uniform in size and full in shape with an average particle size of 135 nm. The encapsulation rate (76.61%) and drug loading capacity (3.3%) were measured by ultraviolet spectrophotometry. The in vitro experiments elucidated that the release rate of enrofloxacin from ENR-NPs was significantly faster at pH 5.0 than at pH 7.4 due to the cleavage of the acid-sensitive Schiff-base bond. Further, the antimicrobial studies revealed that the inhibitory effects were improved with the increase of acidity of the culture medium. Therefore, ENR-NPs provide a potential application of enrofloxacin for bacterial-response drug delivery.

A novel fluorescent chemodosimeter for thiophenols has been readily developed from a red emitting Indole-BODIPY . The chemodosimeter displays a significant fluorescence turn-on response towards thiophenols based on nucleophilic substitution reaction. A linear relationship was obtained between the fluorescence intensity and the concentrations of thiophenols ranging from 0 to 1.8 μM. The chemodosimeter can determine thiophenols (4-fluorothiophenol, 4-methoxybenzenethiol, p -toluenethiol) with high selectivity, fast response (within 8 min) and extremely low limit of detection (9.8 nM). The chemodosimeter was successfully used to determine the level of thiophenol (PhSH) in industrial wastewater and Bohai Sea water with good recoveries. Furthermore, the chemodosimeter was employed to image thiophenols in cancer cells with good performance and low cytotoxicity. Therefore, this chemodosimeter has great potential application in environment.

Proper N-glycosylation of proteins is important for normal brain development and nervous system function. Identification of the localization, carrier proteins and interacting partners of N-glycans is essential for understanding the roles of glycoproteins. The present study examined the N-glycan A2G'2F (Galβ1-3GlcNAcβ1-2Manα1-6[Galβ1-3GlcNAcβ1-2Manα1-3]Manβ1-4GlcNAcβ1-4[Fucα1-6]GlcNAc-). A2G'2F has a branched sialic acid structural feature, and branched sialylated A2G'2F is a major N-glycan in the mouse brain. Its expression in the mouse brain increases during development, suggesting that branched sialylated N-glycans play essential roles during brain development. However, the carrier proteins, interacting partners and localization of branched sialylated N-glycans remain unknown. We previously improved our method for analyzing N-glycans from trace samples, and here we succeeded in detecting A2G'2F in small fragments excised from the two-dimensional electrophoresis gels of subcellular fractionated mouse brain proteins. A2G'2F was accumulated in mouse brain synaptosomes. We identified calreticulin as one of the candidate A2G'2F carriers and found calreticulin expression in both the endoplasmic reticulum and synaptosomal fractions. Calreticulin was observed in dendritic spines of cultured cortical neurons. Synthesized branched sialylated glycan clusters interacted with sialic acid-binding immunoglobulin-like lectin H (Siglec-H), which is known to be a microglia-specific molecule. Taken together, these results suggest that branched sialylated A2G'2F in synaptosomes plays a role in the interaction of dendritic spines with microglia.Key words: N-glycan, subcellular fractionation, calreticulin, dendritic spine, Siglec-H.

Thiabendazole (TBZ), has been extensively employed as a pesticide and/or a fungicide in agriculture, while its residues would threaten to public health and safety. Simple, rapid and sensitive probes for detection of TBZ in real food samples is significantly desirable. In present work, a highly selective and sensitive luminescent sensor for monitoring TBZ in oranges has been constructed based on a Tb3+-functionalized Zr-MOF (Tb3+@1). Tb3+@1 exhibited many attractive sensing properties toward TBZ, including broad linear range (0–80 μM), high selectivity, low LOD (0.271 μM) and rapid response time (less than1 min). Moreover, the probe was employed to determine TBZ in real orange samples, in which good recoveries from 98.41 to 104.48% were obtained. It only takes 35 min for the whole process of detection TBZ in real orange samples combined with QuEChERS method. Therefore, this work provided a reliable and rapid method for monitoring the TBZ in real orange samples.

Hydrazine (N2H4) and ClO− are very harmful for public health, hence it is important and necessary to monitor them in living cells. Herein, we rationally designed and synthesized a dual-analytes responsive fluorescent sensor PTMQ for distinguishing detection of N2H4 and ClO−. PTMQ underwent N2H4-induced double bond cleavage, affording colorimetric and green fluorescence enhancement with good selectivity and a low detection limit (89 nM). On the other hand, PTMQ underwent ClO−-induced sulfur oxidation and displayed red fluorescence lighting-up response towards ClO− with good selectivity, rapid response (

Biogenic primary diamines are a family of critical food spoilage biomarkers. To maintain food safety, it is necessary to implement highly efficient detection methods to monitor the levels of biogenic primary diamines in edible products. In this study, we report a 7-diethylaminocoumarin derivative, CMA-Cl, as a colorimetric and fluorescence lighting-up probe for detecting critical biogenic primary diamines including cadaverine and putrescine. The CMA-Cl probe underwent a nucleophilic substitution and condensation reaction with biogenic primary diamines, generating highly emissive compounds, which displayed strong emission at 475 nm with a fluorescence quantum yield of 36.4%. The CMA-Cl probe showed colorimetric and fluorescence dual-response towards biogenic primary amines with a significant linear relationship, good selectivity, and low limit of detection (209 nM). The probe demonstrated a good recovery (97–122%) for the determination of a typical biogenic primary diamine cadaverine during the spoilage of fish. Furthermore, CMA-Cl-loaded paper was fabricated for the real-time visual detection of a typical biogenic primary diamine cadaverine in fish samples based on distinct changes in color and fluorescence.

In this work, a metal−organic framework UiO-66-(COOH)2 has been synthesized and is further functionalized with Tb3+ through coordination interactions. The functionalized MOF, denoted as Tb3+@UiO-66-(COOH)2, is fully characterized and further developed as an excellent fluorescent probe to monitor Cu2+ ions in aqueous media by fluorescence quenching effect. Tb3+@UiO-66-(COOH)2 exhibits high selectivity and sensitivity, broad linear concentration range (0–200 μM), low detection limits (0.23 μM), fast response speed (within 1 min), as well as in situ naked eye observation under UV light for sensing Cu2+ ion. Furthermore, this probe was successfully employed to detect Cu2+ ion in real water with good recovery. Hence, this work developed a very excellent fluorescent sensor with high potential practical applications for detection of Cu2+ ion in environmental water samples.

The screening of highly toxic chemical vapor is critical for environmental monitoring and human health maintenance. Herein, we reported a chemosensor (AC-HPD) for rapid and specific detection of highly toxic oxalyl chloride vapor, which adopted anthracene carboxyimide as a fluorophore and 3-aminopropanol as the reaction site. Upon coupling of oxalyl chloride with NH and OH groups, AC-HPD exhibited remarkable colorimetric and ratiometric fluorescence dual-mode responses towards oxalyl chloride via the intramolecular charge transfer effect. AC-HPD could determine oxalyl chloride with features of rapid response, excellent specificity, low detection limit (95 nM), as well as obvious color and fluorescence change. Furthermore, AC-HPD-embedded test strip was successfully fabricated and used as a flexible sensing device for rapid, sensitive and visible monitoring oxalyl chloride vapor.

Organophosphorus compounds (OPs) as chemical warfare agents (CWAs) pose a great threat to human health. For the issue of global security, it is highly demanded to establish fast and efficient detection methods for monitoring CWAs. This work presented a benzothiazole-based fluorescent chemodosimeter (BT-OH) for the detection of diethylchlorophosphate (DCP) via “ESIPT-OFF” mechanism, in which the phenyl hydroxyl group could efficiently be phosphated by DCP and turn to phosphorester, thus bringing about obvious fluorescence lighting-up. BT-OH shows rapid response (within 6 s) towards DCP with good linearity and specificity, as well as low detection limit (0.186 μM). Furthermore, a polystyrene-based testing membrane immobilized with BT-OH was prepared for real-time detection of DCP vapor with good performance. Therefore, this work provides a new manner for the detection of DCP by using a fluorescent chemodosimeter with the advantages of high sensitivity and selectivity, ultra-fast detection, easy-to-manipulate, as well as in situ naked eye observation.

Mutagenic formaldehyde (FA) is usually abused to preserve seafood, thus it is very necessary to detect harmful formaldehyde in seafood with a simple and effective method. In this work, we facilely prepared a new fluorescent probe RBNA, which showed a remarkable fluorescence lighting-up response towards FA with high sensitivity and selectivity, fast response (within 5 min) and a low detection limit (0.21 μM). The fluorescence intensity is linearly related to the concentration of FA ranging from 0 to 120 μM (R2 = 0.9952), which enables it to quantitatively determine the concentration of FA. This probe was successfully used to detect FA in seafood samples with good recoveries (80–119%). Furthermore, the probe has been utilized to image FA in living cells and zebrafish with good performance. Therefore, this probe has a good capability for rapid and sensitive determination of FA in seafood.

Proper N-glycosylation of proteins is important for normal brain development and nervous system function. Identification of the localization, carrier proteins and interacting partners of N-glycans is essential for understanding the roles of glycoproteins. The present study examined the N-glycan A2G'2F (Galβ1-3GlcNAcβ1-2Manα1-6[Galβ1-3GlcNAcβ1-2Manα1-3]Manβ1-4GlcNAcβ1-4[Fucα1-6]GlcNAc-). A2G'2F has a branched sialic acid structural feature, and branched sialylated A2G'2F is a major N-glycan in the mouse brain. Its expression in the mouse brain increases during development, suggesting that branched sialylated N-glycans play essential roles during brain development. However, the carrier proteins, interacting partners and localization of branched sialylated N-glycans remain unknown. We previously improved our method for analyzing N-glycans from trace samples, and here we succeeded in detecting A2G'2F in small fragments excised from the two-dimensional electrophoresis gels of subcellular fractionated mouse brain proteins. A2G'2F was accumulated in mouse brain synaptosomes. We identified calreticulin as one of the candidate A2G'2F carriers and found calreticulin expression in both the endoplasmic reticulum and synaptosomal fractions. Calreticulin was observed in dendritic spines of cultured cortical neurons. Synthesized branched sialylated glycan clusters interacted with sialic acid-binding immunoglobulin-like lectin H (Siglec-H), which is known to be a microglia-specific molecule. Taken together, these results suggest that branched sialylated A2G'2F in synaptosomes plays a role in the interaction of dendritic spines with microglia.Key words: N-glycan, subcellular fractionation, calreticulin, dendritic spine, Siglec-H.

We developed a simple and efficient method for fabricating a taste-masked oral drug delivery system (DDS) that regulates the release of unpleasant drug taste via the change in pH value in the physiological environment of the alimentary canal. In this drug delivery system, a pH-sensitive metal–organic coordination polymer (CP), Fe-4,4′-bipyridine (Fe-bipy) complex, works as a taste-masker. The pH-sensitive Fe-bipy was grafted onto the mesoporous silica nanoparticles (MSNs) containing the model bitter drug mequindox (MEQ) in its mesopores through metal–organic coordination cross-linking, resulting in the CP-coated nanodrug MSN-NH2-MEQ@Fe-bipy. In artificial saliva (pH 6.6), Fe-4,4′-bipyridine CPs effectively prevent the leaking of the loaded guest molecule MEQ. On the other hand, in artificial gastric fluid (pH 1.0), the coordination bonds of the Fe-4,4′-bipyridine complex were broken, leading to the release of MEQ molecules from MSN-NH2-MEQ@Fe-bipy. The results indicate that the simple and efficient preparation method for taste-masked MSN-NH2-MEQ@Fe-bipy could provide new insights into taste-masking technology by using pH-responsive smart nanomaterials.

Abnormal levels of glutathione (GSH) and cysteine (Cys) are associated with some diseases, thus monitoring the dynamic changes and the quantification of GSH/Cys is of great significance in clinical diagnosis. Herein, a smart fluorescent probe was developed for the detection of Cys and GSH, which was constructed with a far-red emitting indole-BODIPY and 7-nitrobenzofurazan (NBD) linked via an ether bond. Upon substitution of the ether with nucleophilic thiolate of GSH/Cys, the probe released indole-BODIPY fluorophore, which gave rise to a significant fluorescence “turn-on” signal at 635 nm. Moreover, Cys induced an intramolecular rearrangement reaction on electrophilic site of NBD, resulting in another emission band at 540 nm. Therefore, this probe can be used to simultaneously detect Cys and GSH in different emission channel. Such capability of the probe has been demonstrated for the measurement of Cys and GSH in human plasmas with fast response and low detection limit (0.64 μM). Furthermore, fluorescence imaging of HeLa cell indicated that the probe was cell membrane permeable and could be used for visualizing GSH and Cys in living cells.

Thiophenols are a class of highly toxic environmental pollutant, hence it is very necessary to monitor thiophenols in environment and living cells with an efficient and reliable method. Herein, a novel fluorescent probe for thiophenols has been developed, which exhibited a colorimetric and fluorescence turn-on dual response towards thiophenols with good selectivity and fast response. The sensing mechanism for thiophenols was attributed to nucleophilic substitution reaction, which was confirmed by HPLC. The probe exhibited good recovery (from 90% to 107%) and low limit of detection for thiophenols (37nM) in industrial wastewater. Moreover, the probe has been successfully employed to visualize thiophenol in living cells. Therefore, the fluorescent probe has good capability for monitoring thiophenols in environmental samples and biological systems.

The abuse of bisulfite and benzoyl peroxide (BPO) in food can cause serious damage to humans, hence, it is necessary to determine bisulfite and BPO in food. In this paper, we presented a fluorescence chemosensor (PTCA) for discriminative detection of bisulfite and BPO with differential fluorescence based on different chemical reactions. PTCA exhibited blue fluorescence turn-on response towards bisulfite with good selectivity, fast response (

The innovation of computer software and hardware technology has brought the power to support strong for the numerical simulation technology, and computer three-dimensional simulation has been applied to various engineering fields. Engineering safety early warning system is a hot problem of the computer simulation, in which using the ANSYS computer software can calculate the stress numerical in engineering to carry out stress analysis, which could realize the function of engineering safety early warning. In this paper, the mining slope stress calculation and prediction as an example, we carry out calculate the stress of mine slope, and as can be seen from the calculations, mine stress does not reach the ultimate safety value, the maximum stress of mine Y direction reached is 5.81Mpa, exceeding the limit value of 5.60Mpa; Z direction compressive stress is reached 3.78Mpa, more than the stress limit 3.56MPa. After the stress limit, mine is prone to landslide hazard, so this paper markers the dangerous positions through the ANSYS software, which can be the successful implementation of the mine slope stress detection and early warning.

This paper uses the simulation technology of computer numerical simulation, combined with the GAMBIT numerical modeling software and ANSYS structure analysis software, we carry out an in-depth research and analysis on the stability of engineering simulation, at the same times establish the mathematical model of ANSYS numerical simulation displacement stability and design the ANSYS command stream program algorithm. Finally, this paper uses the open-pit to underground mining slope stability as an example, to verify the reliability of the model and algorithm. Through the numerical simulation, we get the displacement of slope in the Y direction and Z direction. In the Y direction, the maximum displacement is 0m, the negative maximum displacement is 5.88m and displacement is relatively large; in the Z direction, the maximum displacement is 1.32M, the negative maximum displacement is 1.08M and the stability of slope is different in different position. The numerical simulation provides the theory reference for the safety of mining engineering.

Sphingomonas sp. is an abundant and novel microbial resource,as for the little awareness of Sphingomonas sp., its ecological and economical values are not well understood. This paper focuses on the bioleaching of phosphorus from hematite with mixed bacteria. When compared with Acidithiobacillusferrooxidans (At.f), Sphingomonas sp. can increase the leaching rate by 1.5 times,and can also solve the problem of generating higher sulphur content by At.f. Thus Sphingomonas sp. will have an extensive application prospect in biohydrometallurgy.

Barite, as a significant nonmetallic mineral can be widely applied to the fields such as coating, rubber, medicine and other high-tech industrials. While the physical and chemical purification is to remove the impurity elements, so as to confirm to the criteria of relevant industry. The text also summaries the methods of activation and proposes some new applications of barite.

Synthesis and clusterization of Galβ(1→3)[NeuAcα(2→6)]GlcNAcβ(1→2)Man motif of the N -glycan, as the molecular probes for their biological evaluation, are reported. Key step is the quantitative and the completely α-selective sialylation of the C5-azide N -phenyltrifluoroacetimidate with the disaccharide acceptor, Galβ(1→3)GlcNTroc. Clusterization of the 16 molecules of trisaccharide motif was also achieved by the ‘self-activating click reaction’. These probes could efficiently be labeled by biotin and/or other fluorescence- or radioactive reporter groups through either cross metathesis, acylation, Cu(I)-mediated Huisgen [2+3]-cycloaddition, or the azaelectrocyclization to utilize the various biological techniques.

C16H18O8Zn, Monoclinic, C2, a = 11.612(2) Å, b = 5.2119(11) Å, c = 13.762(3) Å, β = 101.151(3)°, V = 817.2(3) Å3, Z = 2, R gt (F) = 0.0248, wR ref (F 2 ) = 0.0790, T = 296(2) K.