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COVID-19 is causing a significant burden on medical and healthcare resources globally due to high numbers of hospitalisations and deaths recorded as the pandemic continues. This research aims to assess the effects of climate factors (i.e., daily average temperature and average relative humidity) on effective reproductive number of COVID-19 outbreak in Wuhan, China during the early stage of the outbreak. Our research showed that effective reproductive number of COVID-19 will increase by 7.6% (95% Confidence Interval: 5.4% ~ 9.8%) per 1°C drop in mean temperature at prior moving average of 0–8 days lag in Wuhan, China. Our results indicate temperature was negatively associated with COVID-19 transmissibility during early stages of the outbreak in Wuhan, suggesting temperature is likely to effect COVID-19 transmission. These results suggest increased precautions should be taken in the colder seasons to reduce COVID-19 transmission in the future, based on past success in controlling the pandemic in Wuhan, China.
The crystal structure of eltrombopag olamine Form I has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Eltrombopag olamine crystallizes in the space group P21/n (#14) with a = 17.65884(13), b = 7.55980(2), c = 22.02908(16) Å, β = 105.8749(4)°, V = 2828.665(11) Å3, and Z = 4. The crystal structure is dominated by columns of hydrogen-bonded cations and anions along the short b-axis. van der Waals interactions bind the columns together. Two H atoms of each ammonium group in the ethanolammonium cations participate in strong hydrogen bonds, and the third H forms weaker bifurcated H-bonds. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).
The role of fire in the management of degraded areas remains strongly debated. Here we experimentally compare removal and infestation of popcorn kernels (Zea mays L. – Poaceae) and açaí fruits (Euterpe oleracea Mart. – Arecaceae) in one burned and two unburned savanna habitats in the eastern Brazilian Amazon. In each habitat, a total of ten experimental units (five per seed type) were installed, each with three treatments: (1) open access, (2) vertebrate access, and (3) invertebrate access. Generalized linear models showed significant differences in both seed removal (P < 0.0001) and infestation (P < 0.0001) among seed type, habitats and access treatments. Burned savanna had the highest overall seed infestation rate (24.3%) and invertebrate access increased açaí seed infestation levels to 100% in the burned savanna. Increased levels of invertebrate seed infestation in burned savanna suggest that preparation burning may be of limited use for the management and restoration of such habitats in tropical regions.
Strong multiple Bragg reflections (MBRs) which can be realized in a bent-perfect-crystal (BPC) slab provide a monochromatic beam of excellent resolution parameters. For identifying MBR effects in the BPC Si crystal, we used the method of azimuthal rotation of the crystal lattice around the scattering vector of the primary forbidden Si(200) reflection for a fixed chosen wavelength. In this paper, several azimuthal scans searching strong MBR effects with the intention of a possible practical exploitation for very high-resolution diffractometry are presented.
The crystal structure of tamsulosin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Tamsulosin hydrochloride crystallizes in space group P21 (#4) with a = 7.62988(2), b = 9.27652(2), c = 31.84996(12) Å, β = 93.2221(2)°, V = 2250.734(7) Å3, and Z = 4. In the crystal structure, two arene rings are connected by a carbon chain oriented roughly parallel to the c-axis. The crystal structure is characterized by two slabs of tamsulosin hydrochloride molecules perpendicular to the c-axis. As expected, each of the hydrogens on the protonated nitrogen atoms makes a strong hydrogen bond to one of the chloride anions. The result is to link the cations and anions into columns along the b-axis. One hydrogen atom of each sulfonamide group also makes a hydrogen bond to a chloride anion. The other hydrogen atom of each sulfonamide group forms bifurcated hydrogen bonds to two ether oxygen atoms. The powder pattern is included in the Powder Diffraction File™ as entry 00-065-1415.
The crystal structure of tofacitinib dihydrogen citrate (tofacitinib citrate) has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Tofacitinib dihydrogen citrate crystallizes in space group P212121 (#19) with a = 5.91113(1), b = 12.93131(3), c = 30.43499(7) Å, V = 2326.411(6) Å3, and Z = 4. The crystal structure consists of corrugated layers perpendicular to the c-axis. Within the layers, cation⋯anion and anion⋯anion hydrogen bonds link the fragments into a two-dimensional network parallel to the ab-plane. Between the layers, there are only van der Waals contacts. A terminal carboxylic acid group in the citrate anion forms a strong charge-assisted hydrogen bond to the ionized central carboxylate group. The other carboxylic acid acts as a donor to the carbonyl group of the cation. The citrate hydroxy group forms an intramolecular charge-assisted hydrogen bond to the ionized central carboxylate. Two protonated nitrogen atoms in the cation act as donors to the ionized central carboxylate of the anion. These hydrogen bonds form a ring with the graph set symbol R2,2(8). The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).
The crystal structure of pomalidomide Form I has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Pomalidomide Form I crystallizes in the space group P-1 (#2) with a = 7.04742(9), b = 7.89103(27), c = 11.3106(6) Å, α = 73.2499(13), β = 80.9198(9), γ = 88.5969(6)°, V = 594.618(8) Å3, and Z = 2. The crystal structure is characterized by the parallel stacking of planes parallel to the bc-plane. Hydrogen bonds link the molecules into double layers also parallel to the bc-plane. Each of the amine hydrogen atoms acts as a donor to a carbonyl group in an N–H⋯O hydrogen bond, but only two of the four carbonyl groups act as acceptors in such hydrogen bonds. Other carbonyl groups participate in C–H⋯O hydrogen bonds. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).
The crystal structure of edoxaban tosylate monohydrate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Edoxaban tosylate monohydrate crystallizes in space group P21 (#4) with a = 7.55097(2), b = 7.09010(2), c = 32.80420(21) Å, β = 96.6720(3)°, V = 1744.348(6) Å3, and Z = 2. The crystal structure consists of alternating layers of edoxaban cations and tosylate anions along the c-axis. The water molecules lie near the sulfonate end of the tosylate anions. The solid-state conformation of the edoxaban cation is determined by intermolecular interactions. The protonated nitrogen atom forms a strong N–H⋯O hydrogen bond to one of the tosylate oxygens. Only one of the water molecule hydrogens acts as a donor in an O–H⋯O hydrogen bond. The tosylate oxygens act as acceptors in a number of C–H⋯O hydrogen bonds. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™.
The crystal structure of tezacaftor Form A has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Tezacaftor Form A crystallizes in space group C2 (#5) with a = 21.05142(6), b = 6.60851(2), c = 17.76032(5) Å, β = 95.8255(2)°, V = 2458.027(7) Å3, and Z = 4. The crystal structure is dominated by van der Waals interactions. O–H⋯O hydrogen bonds link the molecules in chains along the b-axis, and there are a variety of C–H⋯O hydrogen bonds, both intra- and intermolecular. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).
The crystal structure of pimecrolimus Form B has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Pimecrolimus crystallizes in the space group P21 (#4) with a = 15.28864(7), b = 13.31111(4), c = 10.95529(5) Å, β = 96.1542(3)°, V = 2216.649(9) Å3, and Z = 2. Although there are an intramolecular six-ring hydrogen bond and some larger chain and ring patterns, the crystal structure is dominated by van der Waals interactions. There is a significant difference between the conformation of the Rietveld-refined and the DFT-optimized structures in one portion of the macrocyclic ring. Although weak, intermolecular interactions are apparently important in determining the solid-state conformation. The powder pattern is included in the Powder Diffraction File™ (PDF®) as entry 00-066-1619. This study provides the atomic coordinates to be added to the PDF entry.
RNA interference (RNAi) is a technique used in many insects to study gene function. However, prior research suggests possible off-target effects when using Green Fluorescent Protein (GFP) sequence as a non-target control. We used a transcriptomic approach to study the effect of GFP RNAi (GFP-i) in Nasonia vitripennis, a widely used parasitoid wasp model system. Our study identified 3.4% of total genes being differentially expressed in response to GFP-i. A subset of these genes appears involved in microtubule and sperm functions. In silico analysis identified 17 potential off-targets, of which only one was differentially expressed after GFP-i. We suggest the primary cause for differential expression after GFP-i is the non-specific activation of the RNAi machinery at the injection site, and a potentially disturbed spermatogenesis. Still, we advise that any RNAi study involving the genes deregulated in this study, exercises caution in drawing conclusions and uses a different non-target control.
The crystal structure of (E)-doxepin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. (E)-doxepin hydrochloride crystallizes in space group P21/a (#14) with a = 13.78488(7), b = 8.96141(7), c = 14.30886(9) Å, β = 96.5409(5)°, V = 1756.097(12) Å3, and Z = 4. There is a strong discrete hydrogen bond between the protonated nitrogen atom and the chloride anion. There are six C–H⋯Cl hydrogen bonds between the methyl groups and the chloride, as well as additional hydrogen bonds from methylene groups and the vinyl proton. The hydrogen bonds are important in determining the solid-state conformation of the cation. The compound is essentially isostructural to amitriptyline hydrochloride. The powder pattern is included in the Powder Diffraction File™ as entry 00-066-1613.
Seeds of Abrus precatorius L. (Fabaceae) were used as weight measure by Indigenous people. Where, the seeds were referred as Ratti; a traditional Indian unit of mass measurement. Seed weight fluctuates depending upon age, moisture, storage-period/conditions. Therefore, use of seeds as a weighing unit become dubious and need to be validated. For this purpose, seeds of A. precatorious were subjected to different moisture conditions and periodically monitored. Surprisingly, there was no change in seed weight was observed, indicating the impermeability of seed coat. The later was confirmed by scarification of seed coat which resulted in 53% increase in seed weight against 0% in control. Further, presence of a potent toxin (abrin) in the seed coat protects it from pests and microbes, and contributes to the maintenance of impermeability for longer period of time. The data validates the use of A. precatorious seeds as a weighing unit (ratti) by the indigenous people and discussed.
An increase in oyster aquaculture as a sustainable method of shellfish production is one response to overharvest and degradation of natural oyster reefs over the past century. Successful aquaculture production requires determining the environmental conditions optimal for oyster growth. In this study, the salinity, temperature, chlorophyll a concentration and the growth of Crassostrea virginica were monitored at four locations within the Mission-Aransas Estuary, Texas (USA), a shallow subtropical estuary influenced by relatively low freshwater inflow. Mean growth of the oyster shell (0.205 mm d–1 and 0.203 g d–1) and soft tissues (3.447 mg d–1) was highest when salinity was low (mean = 15.5) and chlorophyll a concentration was high (8.4 μg l–1). Oyster growth also varied temporally with periods of spawning. In low-inflow estuaries such as the Mission-Aransas Estuary, oyster farms should be sited close to river mouths so that oysters can benefit from freshwater inflows and lower salinities.
Environmental gains of electric cars can be optimized with the use of lightweight and recyclable magnesium in the vehicle’s structural components. Ductility improvement of low-density Mg-Al alloys will extend their use in automotive body applications. The authors achieved 63% ductility improvement in Mg-6wt%Al with trace Y (1.5 ppm) due to the β-phase refinement and predicted that higher levels would not perform as well. As predicted, 0.3wt% of Y addition investigated in this study led to lower mechanical performance and β-phase refinement than those obtained with trace additions. The tensile ductility and yield strength increased by ~13% and 16%, respectively, and the compression strain to fracture by ~22%. Scanning electron and optical microscopy, X-Rays diffraction, mechanical testing and thermodynamic calculations were used to investigate the effect of 0.3wt% Y on the microstructure of Mg-6wt%Al. The matrix dissolution revealed the close association of the Al2Y and the β-Mg17Al12 phases.
Gene methylation is one means of controlling tissue gene expression, but it is unknown what pathways influencing Alzheimer’s disease (AD) are controlled this way. We compared normal and AD brain tissue data for gene expression (mRNAs) and gene methylation profiling. We identified methylated differentially expressed genes (MDEGs). Protein-protein interaction (PPI) of the MDEGs showed 18 hypermethylated low-expressed genes (Hyper-LGs) involved in cell signaling and metabolism; also 10 hypomethylated highly expressed (Hypo-HGs) were involved in regulation of transcription and development. Molecular pathways enriched in Hyper-LGs included neuroactive ligand-receptor interaction pathways. Hypo-HGs were notably enriched in pathways including hippo signaling. PPI analysis also identified both Hyper-LGs and Hypo-HGs, as hub proteins. Our analysis of AD datasets identified Hyper-LGs, Hypo-HGs, and transcription factors linked to these genes. These pathways, which may participate in Alzheimer’s disease development, may be affected by treatments that influence gene methylation patterns.
Nicotine 3,5-dihydroxybenzoate dihydrate is a nicotine salt and can be used as compositions in tobacco products. X-ray powder diffraction data, unit-cell parameters, and space group for nicotine 3,5-dihydroxybenzoate, C10H15N2⋅C7H5O4⋅2H2O, are reported [a = 8.424(1) Å, b = 13.179(8) Å, c = 8.591(1) Å, α = 90°, β = 102.073(8)°, γ = 90°, unit-cell volume V = 932.765(3) Å3, Z = 2, ρcal = 1.256 g⋅cm−3, and space group P21] at room temperature. All measured lines were indexed and are consistent with the P21 space group.
Metamaterials have attracted enormous interests from both physics and engineering communities in the past 20 years, owing to their powerful ability in manipulating electromagnetic waves. However, the functionalities of traditional metamaterials are fixed at the time of fabrication. To control the EM waves dynamically, active components are introduced to the meta-atoms, yielding active metamaterials. Recently, a special kind of active metamaterials, digital coding and programmable metamaterials, are proposed, which can achieve dynamically controllable functionalities using field programmable gate array (FPGA). Most importantly, the digital coding representations of metamaterials set up a bridge between the digital world and physical world, and allow metamaterials to process digital information directly, leading to information metamaterials. In this Element, we review the evolution of information metamaterials, mainly focusing on their basic concepts, design principles, fabrication techniques, experimental measurement and potential applications. Future developments of information metamaterials are also envisioned.