Investigation of Major Intermolecular Interactions in 7,8-dihydrobenzo(k)phenanthridin-6(5H)-one Crystal Using Quantum Calculations and Crystallographic Visualization Programs

Currently, tablets and capsules are the most common ways of delivering drugs. The active pharmaceutical ingredients and excipients used to make those tablets and capsules are in their crystalline form generally. However, a single molecule can form multiple different crystal structures because of different packing arrangements of the molecules. These different crystal structures have identical chemical composition but different properties such as solubility, density, stability, etc. This phenomenon is called polymorphism. Occurrence of polymorphism could be a disaster for both patients and pharmaceutical companies, as the drug could lose its efficacy due to changes in properties. Studying intermolecular interactions in crystals can give us a better understanding of how and why molecules pack together in a certain way. In this research, 7,8-dihydrobenzo(k)phenanthridin-6(5H)-one is the molecule investigated. Its crystal data files were obtained from the Cambridge Crystallographic Data Centre. A crystallographic visualization program called Mercury was used to observe all contact modes and measure distances between atoms. Quantum calculations were performed using Density Functional Theory. Then, Fukui functions and electrostatic potentials for both the crystal and the molecule were calculated. These properties were mapped on the molecule’s Hirshfeld surface and on molecular slices using OpenDX software to help visualize intermolecular interactions. Comparison between crystals and molecules was performed to observe how these properties change when molecules form crystals. These mapped properties were helpful to analyze major intermolecular interactions, but further analysis on other compounds is needed in order to fully explain molecular packing in crystals and predict crystal structures

Recent Advances in Black TiO₂ Nanomaterials for Solar Energy Conversion

Titanium dioxide (TiO2) nanomaterials have been widely used in photocatalytic energy conversion and environmental remediation due to their advantages of low cost, chemical stability, and relatively high photo-activity. However, applications of TiO2 have been restricted in the ultraviolet range because of the wide band gap. Broadening the light absorption of TiO2 nanomaterials is an efficient way to improve the photocatalytic activity. Thus, black TiO2 with extended light response range in the visible light and even near infrared light has been extensively exploited as efficient photocatalysts in the last decade. This review represents an attempt to conclude the recent developments in black TiO2 nanomaterials synthesized by modified treatment, which presented different structure, morphological features, reduced band gap, and enhanced solar energy harvesting efficiency. Special emphasis has been given to the newly developed synthetic methods, porous black TiO2, and the approaches for further improving the photocatalytic activity of black TiO2. Various black TiO2, doped black TiO2, metal-loaded black TiO2 and black TiO2 heterojunction photocatalysts, and their photocatalytic applications and mechanisms in the field of energy and environment are summarized in this review, to provide useful insights and new ideas in the related field

Recent Advances in Black TiO2 Nanomaterials for Solar Energy Conversion

Titanium dioxide (TiO2) nanomaterials have been widely used in photocatalytic energy conversion and environmental remediation due to their advantages of low cost, chemical stability, and relatively high photo-activity. However, applications of TiO2 have been restricted in the ultraviolet range because of the wide band gap. Broadening the light absorption of TiO2 nanomaterials is an efficient way to improve the photocatalytic activity. Thus, black TiO2 with extended light response range in the visible light and even near infrared light has been extensively exploited as efficient photocatalysts in the last decade. This review represents an attempt to conclude the recent developments in black TiO2 nanomaterials synthesized by modified treatment, which presented different structure, morphological features, reduced band gap, and enhanced solar energy harvesting efficiency. Special emphasis has been given to the newly developed synthetic methods, porous black TiO2, and the approaches for further improving the photocatalytic activity of black TiO2. Various black TiO2, doped black TiO2, metal-loaded black TiO2 and black TiO2 heterojunction photocatalysts, and their photocatalytic applications and mechanisms in the field of energy and environment are summarized in this review, to provide useful insights and new ideas in the related field

Evaluation of Reference Genes for Transcriptional Profiling in Two Cockroach Models

The German cockroach, Blattella germanica, and the American cockroach, Periplaneta americana are the most common and synanthropic household pests of interest to public health. While they have increasingly served as model systems in hemimetabolous insects for studying many biological issues, there is still a lack of stable reference gene evaluation for reliable quantitative real-time PCR (qPCR) outputs and functional genomics. Here, we evaluated the expression variation of common insect reference genes, including the historically used actin, across various tissues and developmental stages, and also under experimental treatment conditions in these two species by using three individual algorithms (geNorm, BestKeeper, and NormFinder) and a comprehensive program (RefFinder). RPL32 in B. germanica and EF1α in P. americana showed the overall lowest variation among all examined samples. Based on the stability rankings by RefFinder, the optimal but varied reference genes under specific conditions were selected for qPCR normalization. In addition, the combination of RPL32 and EF1α was recommended for all the tested tissues and stages in B. germanica, whereas the combination of multiple reference genes was unfavorable in P. americana. This study provides a condition-specific resource of reference gene selection for accurate gene expression profiling and facilitating functional genomics in these two important cockroaches

Wide Area Detection and Distribution Characteristics of Landslides along Sichuan Expressways

Wide area landslide detection is a major international research hotspot in the field of geological hazards, and the integration of multi-temporal optical satellite images and spaceborne interferometric synthetic aperture radar (InSAR) appears to be an effective way to realize this. In this paper, a technical framework is presented for wide area landslide detection: (i) multi-temporal satellite optical images are used to detect landslides with distinguishable geomorphological features; (ii) Generic Atmospheric Correction Online Service (GACOS) assisted InSAR stacking is employed to generate annual surface displacement rate maps in radar line of sight using satellite SAR images from both ascending and descending tracks, which are in turn utilized to automatically detect active landslides from ground motion using hotspot analysis, and (iii) the distribution characteristics of the detected landslides are investigated by examining their relationships with topographic and hydrological factors. Three expressways in Sichuan Province, China—namely the Yakang (Ya’an-Kangding), Yaxi (Ya’an-Xichang), and Lushi (Luding-Shimian) expressways—and their surrounding regions (a total area of approximately 20,000 square kilometers) were chosen as the study area. A total of 413 landslides were detected, among which 320 were detected using multi-temporal satellite optical images, and 109 were detected using GACOS-assisted InSAR stacking. It should be noted that only 16 landslides were detected by both approaches; these landslides all exhibited not only obvious geomorphological features but also ground motion. A statistical analysis of the topographic and hydrological factors shows that of the detected landslides: 81% are distributed at elevations of 1000–2500 m, over 60% lie within the elevation range of 100~400 m, and 90% present with medium and steep slopes (20°~45°), and 80% are located within areas seeing an annual rainfall of 950~1050 mm. Nine landslides were found to pose potential safety hazards to the expressways. The research findings in this paper have directly benefitted the Sichuan expressways; equally important, it is believed that the technical framework presented in this paper will provide guidance for hazard mitigation and the prevention of transportation hazards in the future

Wide Area Detection and Distribution Characteristics of Landslides along Sichuan Expressways

Wide area landslide detection is a major international research hotspot in the field of geological hazards, and the integration of multi-temporal optical satellite images and spaceborne interferometric synthetic aperture radar (InSAR) appears to be an effective way to realize this. In this paper, a technical framework is presented for wide area landslide detection: (i) multi-temporal satellite optical images are used to detect landslides with distinguishable geomorphological features; (ii) Generic Atmospheric Correction Online Service (GACOS) assisted InSAR stacking is employed to generate annual surface displacement rate maps in radar line of sight using satellite SAR images from both ascending and descending tracks, which are in turn utilized to automatically detect active landslides from ground motion using hotspot analysis, and (iii) the distribution characteristics of the detected landslides are investigated by examining their relationships with topographic and hydrological factors. Three expressways in Sichuan Province, China—namely the Yakang (Ya’an-Kangding), Yaxi (Ya’an-Xichang), and Lushi (Luding-Shimian) expressways—and their surrounding regions (a total area of approximately 20,000 square kilometers) were chosen as the study area. A total of 413 landslides were detected, among which 320 were detected using multi-temporal satellite optical images, and 109 were detected using GACOS-assisted InSAR stacking. It should be noted that only 16 landslides were detected by both approaches; these landslides all exhibited not only obvious geomorphological features but also ground motion. A statistical analysis of the topographic and hydrological factors shows that of the detected landslides: 81% are distributed at elevations of 1000–2500 m, over 60% lie within the elevation range of 100~400 m, and 90% present with medium and steep slopes (20°~45°), and 80% are located within areas seeing an annual rainfall of 950~1050 mm. Nine landslides were found to pose potential safety hazards to the expressways. The research findings in this paper have directly benefitted the Sichuan expressways; equally important, it is believed that the technical framework presented in this paper will provide guidance for hazard mitigation and the prevention of transportation hazards in the future

Two transcriptional cascades orchestrate cockroach leg regeneration

Summary: The mystery of appendage regeneration has fascinated humans for centuries, while the underlying regulatory mechanisms remain unclear. In this study, we establish a transcriptional landscape of regenerating leg in the American cockroach, Periplaneta americana, an ideal model in appendage regeneration studies showing remarkable regeneration capacity. Through a large-scale in vivo screening, we identify multiple signaling pathways and transcription factors controlling leg regeneration. Specifically, zfh-2 and bowl contribute to blastema cell proliferation and morphogenesis in two transcriptional cascades: bone morphogenetic protein (BMP)/JAK-STAT-zfh-2-B-H2 and Notch-drm/bowl-bab1. Notably, we find zfh-2 is working as a direct target of BMP signaling to promote cell proliferation in the blastema. These mechanisms might be conserved in the appendage regeneration of vertebrates from an evolutionary perspective. Overall, our findings reveal that two crucial transcriptional cascades orchestrate distinct cockroach leg regeneration processes, significantly advancing the comprehension of molecular mechanism in appendage regeneration