bluuebunny/crossref_metadata_2025 huggingface dataset:
In vitro and in silico evaluations of actinomycin X2and actinomycin D as potent anti-tuberculosis agents
Authors: Qureshi Kamal Ahmad , Azam Faizul , Fatmi Muhammad Qaiser , Imtiaz Mahrukh , Prajapati Dinesh Kumar , Rai Pankaj Kumar , Jaremko Mariusz , Emwas Abdul-Hamid , Elhassan Gamal Osman
Published: March 2023

Background

Multidrug-resistant tuberculosis (MDR-TB) is one of the world’s most devastating contagious diseases and is caused by the MDR-Mycobacterium tuberculosis (MDR-Mtb) bacteria. It is therefore essential to identify novel anti-TB drug candidates and target proteins to treat MDR-TB. Here, in vitro and in silico studies were used to investigate the anti-TB potential of two newly sourced actinomycins, actinomycin-X2 (act-X2) and actinomycin-D (act-D), from the Streptomyces smyrnaeus strain UKAQ_23 (isolated from the Jubail industrial city of Saudi Arabia).

Methods

The anti-TB activity of the isolated actinomycins was assessed in vitro using the Mtb H37Ra, Mycobacterium bovis (BCG), and Mtb H37Rv bacterial strains, using the Microplate Alamar Blue Assay (MABA) method. In silico molecular docking studies were conducted using sixteen anti-TB drug target proteins using the AutoDock Vina 1.1.2 tool. The molecular dynamics (MD) simulations for both actinomycins were then performed with the most suitable target proteins, using the GROningen MAchine For Chemical Simulations (GROMACS) simulation software (GROMACS 2020.4), with the Chemistry at HARvard Macromolecular Mechanics 36m (CHARMM36m) forcefield for proteins and the CHARMM General Force Field (CGenFF) for ligands.

Results

In vitro results for the Mtb H37Ra, BCG, and Mtb H37Rv strains showed that act-X2 had minimum inhibitory concentration (MIC) values of 1.56 ± 0.0, 1.56 ± 0.0, and 2.64 ± 0.07 µg/mL and act-D had MIC values of 1.56 ± 0.0, 1.56 ± 0.0, and 1.80 ± 0.24 µg/mL respectively. The in silico molecular docking results showed that protein kinase PknB was the preferred target for both actinomycins, while KasA and pantothenate synthetase were the least preferred targets for act-X2and act-D respectively. The molecular dynamics (MD) results demonstrated that act-X2 and act-D remained stable inside the binding region of PknB throughout the simulation period. The MM/GBSA (Molecular Mechanics/Generalized Born Surface Area) binding energy calculations showed that act-X2 was more potent than act-D.

Conclusion

In conclusion, our results suggest that both actinomycins X2 and D are highly potent anti-TB drug candidates. We show that act-X2is better able to antagonistically interact with the protein kinase PknB target than act-D, and thus has more potential as a new anti-TB drug candidate.
The earliest dipodomyine heteromyid in North America and the phylogenetic relationships of geomorph rodents
Authors: Samuels Joshua X. , Calede Jonathan J.-M. , Hunt, Jr. Robert M.
Published: March 2023

Dipodomyine heteromyids (kangaroo rats and mice) are a diverse group of arid-adapted ricochetal rodents of North America. Here, a new genus and species of a large dipodomyine is reported from early Miocene-aged deposits of the John Day Formation in Oregon that represents the earliest record of the subfamily. The taxon is known from a single specimen consisting of a nearly complete skull, dentary, partial pes, and caudal vertebra. The specimen is characterized by a mosaic of ancestral and highly derived cranial features of heteromyids. Specifically, the dental morphology and some cranial characteristics are similar to early heteromyids, but other aspects of morphology, including the exceptionally inflated auditory bullae, are more similar to known dipodomyines. This specimen was included in a phylogenetic analysis comprising 96 characters and the broadest sampling of living and extinct geomorph rodents of any morphological phylogenetic analysis to date. Results support the monophyly of crown-group Heteromyidae exclusive of Geomyidae and place the new taxon within Dipodomyinae. The new heteromyid is the largest known member of the family. Analyses suggest that large body size evolved several times within Heteromyidae. Overall, the morphology of the new heteromyid supports a mosaic evolution of the open-habitat adaptations that characterize kangaroo rats and mice, with the inflation of the auditory bulla appearing early in the group, and bipedality/ricochetal locomotion appearing later. We hypothesize that cooling and drying conditions in the late Oligocene and early Miocene favored adaptations for life in more open habitats, resulting in increased locomotor specialization in this lineage over time from a terrestrial ancestor.
Annotated checklist of the beetles (Coleoptera) of the California Channel Islands
Authors: Gimmel Matthew L. , Johnston M. Andrew , Caterino Michael S.
Published: March 2023

The beetle fauna of the California Channel Islands is here enumerated for the first time in over 120 years. We provide an annotated checklist documenting species-by-island diversity from an exhaustive literature review and analysis of a compiled dataset of 26,609 digitized specimen records to which were added over 3,000 individual specimen determinations. We report 825 unique species from 514 genera and 71 families (including 17 new family records) comprising 1,829 species-by-island records. Species totals for each island are as follows: Anacapa (74); San Clemente (197); San Miguel (138); San Nicolas (146); Santa Barbara (64); Santa Catalina (370); Santa Cruz (503); and Santa Rosa (337). This represents the largest list of species published to date for any taxonomic group of animals on the Channel Islands; despite this, we consider the checklist to be preliminary. We present evidence that both inventory and taxonomic efforts on Channel Islands beetles are far from complete. Rarefaction estimates indicate there are at least several hundred more species of beetles yet to be recorded from the islands. Despite the incomplete nature of existing records, we found that species diversity is highly correlated with island area. We report 56 species which are putatively geographically restricted (endemic) to the Channel Islands, with two additional species of questionable endemic status. We also report 52 species from the islands which do not natively occur in the southern California region.
Annual-scale assessment of mid-20th century anthropogenic impacts on the algal ecology of Crawford Lake, Ontario, Canada
Authors: Marshall Matthew G. , Hamilton Paul B. , Lafond Krysten M. , Nasser Nawaf A. , McCarthy Francine M.G. , Patterson R. Timothy
Published: March 2023

Meromictic Crawford Lake, located in SW Ontario, Canada is characterized by varved sediments, making it suitable for high-resolution paleoecological studies. Freeze cores, the only coring method available that reliably preserves the fragile laminations representative of seasonal deposition in the lake, were used to document siliceous diatom and chrysophyte community structure at an annual resolution from 1930–1990CE. Stratigraphically constrained cluster analysis identified major assemblage changes that are believed to have been caused by local, regional and possibly global anthropogenic impacts. The assemblage changes within the siliceous algae are attributed to regional weather and increased industrial emissions and related effects of acid deposition on the lake’s catchment associated with the Great Acceleration –the massive economic, industrial, and demographic expansion beginning in the mid-20th century. Observed increases in spheroidal carbonaceous particles (SCPs) in varved lake sediment dating to the early 1950s record rapidly expanding steel production without emission controls around 30 km upwind of the lake. The findings reported here reflect major changes in earth systems that the Anthropocene Working Group recommends for a proposed epoch to be termed the Anthropocene, providing support for the laminated sediments from Crawford Lake as a potential Global boundary Stratotype Section and Point (GSSP).
Surviving without oxygen involves major tissue specific changes in the proteome of crucian carp (Carassius carassius)
Authors: Johansen Anette , Thiede Bernd , Anonsen Jan Haug , Nilsson Göran E.
Published: March 2023

The crucian carp (Carassius carassius) can survive complete oxygen depletion (anoxia) for several months at low temperatures, making it an excellent model for studying molecular adaptations to anoxia. Still, little is known about how its global proteome responds to anoxia and reoxygenation. By applying mass spectrometry-based proteome analyses on brain, heart and liver tissue from crucian carp exposed to normoxia, five days anoxia, and reoxygenation, we found major changes in particularly cardiac and hepatic protein levels in response to anoxia and reoxygenation. These included tissue-specific differences in mitochondrial proteins involved in aerobic respiration and mitochondrial membrane integrity. Enzymes in the electron transport system (ETS) decreased in heart and increased massively in liver during anoxia and reoxygenation but did not change in the brain. Importantly, the data support a special role for the liver in succinate handling upon reoxygenation, as suggested by a drastic increase of components of the ETS and uncoupling protein 2, which could allow for succinate metabolism without excessive formation of reactive oxygen species (ROS). Also during reoxygenation, the levels of proteins involved in the cristae junction organization of the mitochondria changed in the heart, possibly functioning to suppress ROS formation. Furthermore, proteins involved in immune (complement) system activation changed in the anoxic heart compared to normoxic controls. The results emphasize that responses to anoxia are highly tissue-specific and related to organ function.
New records and species of deep-sea squat lobsters (Galatheoidea, Munidopsidae) from the Hawaiian Archipelago: an integrative approach using micro-CT and barcodes
Authors: Rodríguez Flores Paula C. , Schnabel Kareen E.
Published: March 2023

The Hawaiian Archipelago remains extensively under-sampled for many marine invertebrate taxa, including squat lobsters. During the last few years, several deep-sea expeditions carried out in the Pacific Ocean have conducted opportunistic collections of specimens and image data from the vicinity of Hawai’i. Here we describe a new species: Munidopsis hawaii sp. nov. and provide new records for Munidopsidae in the Archipelago and its associations. We illustrate and describe the new species using an integrative approach including micro-CT 3D imaging. Phylogenetic analyses of the species collected from seamounts from Hawai’i indicate that the new species represents a divergent lineage compared to morphologically similar species such as M. dispar and M. papanui. We also study the genetic distances for the species recorded in Hawai’i and other populations of the same species in the adjacent West Pacific. Three species are now known in the Hawaiian region. We also compiled identifications from images captured with ROVs in the area. These observations suggest that munidopsid species are common in the deep sea of Hawaiian waters below 1,000 m.
Huffman Algorithm Valuation Using Residue Number System
Authors: Dauda Lawal T. , Joseph B Eseyin , Isiaka Azeez O.
Published: March 2023

The Huffman algorithm is a widely used method for lossless data compression, which assigns variable-length codes to characters based on their frequency of occurrence in the input data. However, the traditional implementation of Huffman coding using binary arithmetic can be computationally intensive, particularly for large data sets. In recent years, the Residue Number System (RNS) has emerged as a promising alternative to binary arithmetic for certain types of computations, due to its potential for parallel processing and reduced hardware complexity. This paper evaluates the use of RNS as a basis for implementing the Huffman algorithm, comparing its performance with the traditional binary approach. The results demonstrate that RNS-based Huffman coding can achieve comparable or superior compression ratios, while reducing the computational requirements and potentially enabling faster compression and decompression. The study also highlights the importance of choosing appropriate RNS moduli and operands to optimize performance. Overall, the evaluation suggests that RNS can be a viable and efficient alternative to binary arithmetic for implementing the Huffman algorithm, particularly in applications with high computational demands or limited hardware resources. However, further research is needed to explore the potential benefits and limitations of RNS in other areas of data compression and signal processing.
Study on Environmental Cost Control in Pig Scale Breeding
Authors: ZHU Aimin
Published: March 2023

The cost of pig breeding enterprises in China remains high and the benefits are declining. How to reduce costs and increase efficiency is an important practical problem faced by pig breeding enterprises at present. This paper takes New Hope Group as the research object, based on its aquaculture management model and financial data, deeply reveals the problems in its large-scale aquaculture management and cost control, and defines the connotation and objectives of environmental cost control of aquaculture enterprises from the perspective of changing the engineering construction model; Secondly, it analyzes the current situation and problems of environmental costs in pig farms; Then put forward the optimization plan of environmental cost in three stages, namely, before, during and after the event. Finally, using the method of combining theory with practice, put forward that enterprises should build an environmental cost control system and supporting measures for the return of manure to farmland.
Trace Element Assessment of Eleyele up Stream Lake, Ibadan, Southwestern Nigeria
Authors: Ayomide Mohammed Mojeed , Siloko Oghenero Great , Gift Ojo Folashade , Damoye Oyelade Michael
Published: March 2023

This research work was carried out to assess the concentrations of selected trace elements inEleyele upstream lake, Ibadan, South-Western, Nigeria. Nine water samples and eight sediment samples were analyzed for their physiochemical and trace element properties to quantify pollution of the lake by trace elements employing geochemical analytic tools such as ICP-MS, XRD, and XRF. The chemical index of alteration (C.I.A.) shows an average value of 75.21, 89.64, and 82.39, respectively, which shows zero to low affinity or similarities between C.I.A and the trace elements. The Chemical Index of weathering (CIW) value shows that the trace elements sources are related to the basement rock's chemical weathering. Plagioclase Index of Alteration (P.I.A.) shows that there are low to no similarities indicating the source of the selected trace element is not clay. The trace elements analyzed are As, Ca, Cd, Co, Ce, Cu, Ga, K, Li, Mo, Na, Ni, Sb and Zr. As, Ca, K, Na with a constant concentration of 0.5µg/l, 0.02µg/l, 0.1µg/l, and 0.2µg/l, respectively, Cd, Co, Ce, Cu, Ga, Li, Mo, Ni, Sb, and Zr have an average concentration value of 0.04µg/l, 0.67µg/l, 0.05µg/l, 1.01µg/l, 0.06µg/l, 0.72µg/l, 0.14µg/l, 0.79µg/l, 0.05µg/l and 0.03µg/l, respectively. The result analyses show that Cu has the highest concentration in the water and the trace element ranges in abundant from Cu> Ni> Li> As> Co> Mo> Ga> Cd> Sb> Cs> Zr> Ca> Na> K. Constant work is recommended for Eleyele Lake to protect the lake from an increase in the level of contamination.
Transposition of Abdominal Inferior Vena Cava to the Left: A Rare Case Report
Authors: Ravishankar M. V. , Pushpa N. B. , Santhekadur Prasanna K , Potu Bhagath Kumar
Published: March 2023

Development of the vascular system in humans is a complex process that involves formation, retention, regression, and reconnection of primitive vascular channels, ultimately forming a definite pattern of the venous vascular architecture. Any errors in these processes would lead to anomalous venous structures, which would pose severe diagnostic and therapeutic challenges. Herein, we report a case of left-sided inferior vena cava that was noticed in the posterior abdominal wall of a male cadaver aged about 80 years. Although venous anomalies are common in their occurrence, a left-sided transposition of the inferior vena cava is a rare and significant finding in retroperitoneal surgeries because this can be misdiagnosed as para-aortic lymphadenopathy, a tumor or dilated gonadal vein that may result in iatrogenic damage during surgeries. The unusual location and course of the inferior vena cava and its embryological basis are discussed in this case.
Knowledge, Attitude, and Practice of Blood Donation among Undergraduate Students in Enugu, Nigeria: A Cross Sectional Study
Authors: Aniebo Chioma Lynda , Ani Deborah Ifechukwu , Aneke Miracle Amobi , Amoke Kanayochukwu C. , Onwasigwe Chika N.
Published: March 2023

Background: Blood donation is crucial in saving lives, as blood cannot be manufactured artificially and can thus be obtained only from human blood sources. Voluntary blood donation is the cornerstone of a safe and adequate supply of blood and blood components. We aim to understand the level of knowledge, attitude, and practice of blood donation and associated factors among undergraduate students in Nigeria.

Method: We conducted a cross-sectional descriptive study among 300 undergraduate students at Enugu State University College of Medicine Parklane, Enugu, Nigeria in June 2022 to access their knowledge, attitude, and practice of blood donation. Data were analyzed using multivariable logistics regression to identify factors associated with blood donation practice.

Results: Most of the students had good knowledge of blood donation, and it was revealed that the initial source of information was mostly from school (37.7%), 89.0% of participants knew their blood group, and 98.3% were aware of infections through blood donation. Also, the attitude of our respondents towards blood donation revealed that the majority (95.0%) agreed blood donation saves lives, that blood donation is good (91.0%), and that voluntary blood donation (84.7%) is the best source of donor blood; most were indifferent to paid donation. Regression analysis suggests that knowing own blood group, having a positive attitude towards blood donation, and being willing to donate in the future were significantly associated with blood donation practice. 

Conclusion: Hence, there is a need for adequate enlightenment campaigns and health education on the need for voluntary blood donation to improve knowledge of, change attitudes towards voluntary blood donation, and ultimately encourage undergraduate students in developing countries to donate blood.
Effect of Nanoscale Zinc Oxide Particles on Macronutrient Concentration of Groundnut (Arachis hypogaea L.)
Authors: Jayasree B. , Prasad T. N. V. K. V. , Krishna T. G. , Sunitha N.
Published: March 2023

In the present investigation, size dependent effects of nanoscale zinc oxide particulates (n-ZnO) on the macronutrient concentration of groundnut leaf, stem and kernel have been analysed. ZnO-nanoparticulates that were used in the study were prepared by modified oxalate decomposition method and the ZnO-nanoparticulates (mean size of 20, 25 and 30 nm) were characterized using techniques such as transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), Dynamic light scattering (DLS) and X-ray diffraction analysis (XRD). Different concentrations (150, 200 and 400 ppm) of ZnO-nanoparticulates were applied (foliar spray) to reveal their effects on groundnut crop in comparison to bulk ZnSO4 Statistically significant high kernel N content (0.49 %) was observed in n-ZnO of size 30 nm @ 400 ppm and highest P content in kernel (0.16 %) was observed in n- ZnO of size 30 nm @ 150 ppm. Whereas, highest kernel K content (0.7 %) was observed in both n-ZnO of size 25 nm and 30 nm @ 200 ppm. These results indicate that zinc nanoparticles significantly influenced the macronutrient (N, P, K) concentration of groundnut depending on their size and concentration.
Free Fatty Acids and Cocoa Butter Quality Traits: Causes and Impact on Consumers’ Health
Authors: Tape Joëlle Stéphanie , Houphouet Kouakou Richard , Kadjo Adobi Christian , Yao Konan Mathurin , Kédjébo Kra Brou Didier , Koné Koumba Maï , Guéhi Tagro Simplice , Montet Didier
Published: March 2023

Cocoa butter (CB) technological quality and financial value depend widely on the free fatty acids (FFA) content. Cocoa butter has to contain less than 1.75% free fatty acids (FFA, based on oleic acid) to be in compliance with the EU directive 2000/36/EC (2000) and needs to be free from off-flavours and rancidity from a sensory (taste, odour, colour) and technological point of view. Free fatty acids are carboxylic acids, generated from triglycerides via the hydrolysis of their ester bounds by enzymatic and/or chemical reactions. The present work reviews free fatty acids formation mechanisms in cocoa beans, the free fatty acids levels assay as well as possible reduction methods. Furthermore, the impact of high free fatty acids content on the technological and chemical qualities and on the health of consumer of cocoa derived products were described. The results highlighted that the free fatty acids formation in cocoa beans was ascribed to the endogenous and exogenous lipases activities. Excreted exogenous lipases by contaminated molds during poor post-harvest processing are most active for free fatty acids generation in cocoa beans. In addition, the germination, poor storage conditions such as high water activity and moisture content provoke high free fatty acids content in cocoa butter. Although alkalization, deodorization and other refining treatments are efficient methods for reduction of free fatty acids content, chocolate manufacturers recorded high losses in cocoa butter. It is important to eliminate the free fatty acids content of cocoa butter because excessive consumption of high- free fatty acids cocoa product induces pathologies.
Performance Analysis of Machine Learning Algorithms in Prediction of Student Academic Performance
Authors: Adane Michael Donkor , Deku Joshua Kwabla , Asare Emmanuel Kwaku
Published: March 2023

The advancement in technology has contributed largely to the application of data mining in education in recent times. However, selecting appropriate algorithm(s) to “mine” knowledge about educational data presents a difficult challenge to researchers and analyst. This paper contributes to the use of classification algorithms in academic performance prediction. The predictive ability of four popular algorithms; C4.5 Decision tree (CDT), Multilayer Perceptron (MLP), Naïve Bayes (NB) and Random Forest (RF) algorithms were compared. The models were built using student dataset from selected private senior high schools in Ghana. The comparative analysis of the algorithms was made based on their Accuracy, Recall, Specificity, F-Measure and Running time. On all the training and test ratios; 80:20, 70:30 and 10-fold cross validation, the results indicated that all the algorithms performed well in the classification. However, the Naïve Bayes algorithm performed significantly better than the MLP and CDT on some ratios. The running time of the NB, CDT and RF were the quickest while MLP took the longest time.
Numerical Modeling of the Effect of the Ratio of Thermal Conductivity on the Thin Film Condensation in Forced Convection in a Canal Whose Walls are Covered with a Porous Material
Authors: Ndiaye Pape Tamsir , Thiam Omar Ngor , Ndiaye Momath , Ndiaye Goumbo , Sow Mamadou Lamine , Mbow Cheikh
Published: March 2023

A numerical modeling of the effect of the ratio of thermal conductivity on the thin film condensation in forced convection in a canal whose walls are covered with a porous material is presented. In this work, the generalized Darcy-Brinkman-Forchheimer (DBF) equations in the porous medium and the hydrodynamic and thermal boundary layer equations in the pure liquid, were used.

Rendered dimensionless and homotopically transformed into a new rectangular basis, we used a finite difference method to discretize them. The advection and the diffusion terms are discretized with respectively a backward-centered scheme and a centered scheme.

After validation, we find that a variation of the longitudinal velocity as a function of the ratio of thermal conductivity only for low values of the Peclet number. When the ratio of thermal conductivity increases, corresponding to an increasingly conductive medium, the longitudinal velocity, the temperature and the Nusselt number increase (even when the Peclet number is high for the thermal field). While the thickness of the liquid film decreases (disadvantaged condensation) and leads to an increase in the length of entry, increase almost linear. The sensitivity of condensation to variations in the ratio of thermal conductivity is constant, whatever its value.

The ratio of thermal conductivity is a very decisive and predictable physical quantity to properly examine the performance of condensation.
Vascular-Targeted Therapy for Systemic Lupus Erythematosus–Associated Vasculitis
Authors: Xu Suzanne , Patrignelli Robert J. , Ramachandran Sarika , Koumpouras Fotios , Desir Deborah , Ko Christine J. , Gehlhausen Jeff R.
Published: March 2023

This case report describes a woman in her 40s with a medical history of systemic lupus erythematosus with 1 year of tender papules, plaques, and progressive ulcers on her hands and feet.
Genome‐wide comparative identification and analysis of membrane‐FADS‐like superfamily genes in freshwater economic fishes
Authors: Zhang Yuru , Zhang Junmei , Gao Kedi , Lu Ronghua , Cao Xianglin , Yang Liping , Nie Guoxing
Published: March 2023

Membrane fatty acid desaturase (FADS)‐like superfamily proteins (FADSs) are essential for the synthesis of unsaturated fatty acids (UFAs). Recently, studies on FADS in fishes have mostly focused on marine species, and a comprehensive analysis of the FADS superfamily, including the FADS, stearoyl‐CoA desaturase (SCD), and sphingolipid delta 4‐desaturase (DEGS) families, in freshwater economic fishes is urgently required. To this end, we conducted a thorough analysis of the number, gene/protein structure, chromosomal location, gene linkage map, phylogeny, and expression of the FADS superfamily. We identified 156 FADSs genes in the genome of 27 representative species. Notably, FADS1 and SCD5 were lost in most freshwater fish and other teleosts. All FADSs proteins contain 4 transmembrane helices and 2–3 amphipathic α‐helices. FADSs in the same family are often linked on the same chromosome; moreover, FADS and SCD or DEGS are frequently collocated on the same chromosome. In addition, FADS, SCD, and DEGS family proteins share similar evolutionary patterns. Interestingly, FADS6, as a member of the FADS family, exhibits a similar gene structure and chromosome location to that of SCD family members, which may be the transitional form of FADS and SCD. This study shed light on the type, structure, and phylogenetic relationship of FADSs in freshwater fishes, offering a new perspective into the functional mechanism analysis of FADSs.
Graphene‐Like Conjugated Molecule as Hole‐Selective Contact for Operationally Stable Inverted Perovskite Solar Cells and Modules
Authors: Wu Tianhao , Xu Xiushang , Ono Luis K. , Guo Ting , Mariotti Silvia , Ding Chenfeng , Yuan Shuai , Zhang Congyang , Zhang Jiahao , Mitrofanov Kirill , Zhang Qizheng , Raj Saurav , Liu Xiao , Segawa Hiroshi , Ji Penghui , Li Tongtong , Kabe Ryota , Han Liyuan , Narita Akimitsu , Qi Yabing
Published: March 2023

Further enhancing the operational lifetime of inverted‐structure perovskite solar cells (PSCs) is crucial for their commercialization, and the design of hole‐selective contacts at the illumination side plays a key role in operational stability. In this work, the self‐anchoring benzo[rst]pentaphene (SA‐BPP) is developed as a new type of hole‐selective contact toward long‐term operationally stable inverted PSCs. The SA‐BPP molecule with a graphene‐like conjugated structure shows a higher photostability and mobility than that of the frequently‐used triphenylamine and carbazole‐based hole‐selective molecules. Besides, the anchoring groups of SA‐BPP promote the formation of a large‐scale uniform hole contact on ITO substrate and efficiently passivate the perovskite absorbers. Benefiting from these merits, the champion efficiencies of 22.03% for the small‐sized cells and 17.08% for 5 × 5 cm2solar modules on an aperture area of 22.4 cm2are achieved based on this SA‐BPP contact. Also, the SA‐BPP‐based device exhibits promising operational stability, with an efficiency retention of 87.4% after 2000 h continuous operation at the maximum power point under simulated 1‐sun illumination, which indicates an estimatedT80lifetime of 3175 h. This novel design concept of hole‐selective contacts provides a promising strategy for further improving the PSC stability.
Iodine Catalysed Oxidative Cross‐Coupling of Thioureas and Amines without Desulfurization
Authors: Serrao Lavina Gladis , Rai P. Vishakha , Periyasamy Ganga , Maddani Mahagundappa Rachappa
Published: March 2023

Iodine/tert‐butyl hydroperoxide (TBHP) mediated synthesis of sulfenamides via oxidative cross‐coupling of thioureas and amines without desulfurization is developed. Diversely substituted sulfenamides have been synthesized in moderate to good yields in short reaction time. The present strategy is further explored for the synthesis of functionalized thiazole derivatives. DFT studies and mechanistic investigations indicate that the current coupling reaction proceeds via radical pathway.
Comproportionation of CO2 and Cellulose to Formate Using a Floating Semiconductor‐Enzyme Photoreforming Catalyst
Authors: Lam Erwin , Miller Melanie , Linley Stuart , Manuel Rita R. , Pereira Inês A. C. , Reisner Erwin
Published: March 2023

Formate production via both CO2 reduction and cellulose oxidation in a solar‐driven process is achieved by a semi‐artificial biohybrid photocatalyst consisting of immobilized formate dehydrogenase on titanium dioxide (TiO2|FDH) producing up to 1.16±0.04 mmolformate g
−1 in 24 hours at 30 °C and 101 kPa under anaerobic conditions. Isotopic labeling experiments with 13C‐labeled substrates support the mechanism of stoichiometric formate formation through both redox half‐reactions. TiO2|FDH was further immobilized on hollow glass microspheres to perform more practical floating photoreforming allowing vertical solar light illumination with optimal light exposure of the photocatalyst to real sunlight. Enzymatic cellulose depolymerization coupled to the floating photoreforming catalyst generates 0.36±0.04 mmolformate per m2 irradiation area after 24 hours. This work demonstrates the synergistic solar‐driven valorization of solid and gaseous waste streams using a biohybrid photoreforming catalyst in aqueous solution and will thus provide inspiration for the development of future semi‐artificial waste‐to‐chemical conversion strategies.
Polarisationsabhängige Summenfrequenzspektroskopie (SFG) zur in situ Bestimmung der Nanopartikel‐Morphologie
Authors: Pramhaas Verena , Unterhalt Holger , Freund Hans‐Joachim , Rupprechter Günther
Published: March 2023

Die Oberflächenstruktur von Metall‐Nanopartikel auf Oxidträgern lässt sich über charakteristische Schwingungen von adsorbierten Sondenmolekülen wie CO bestimmen. Üblicherweise konzentrieren sich spektroskopische Untersuchungen auf die Peak‐Position und ‐Intensität, die mit der Bindungsgeometrie bzw. der Anzahl der Adsorptionsplätze zusammenhängen. Anhand zweier unterschiedlich präparierter Modellkatalysatoren wird gezeigt, dass die polarisationsabhängige Summenfrequenzspektroskopie (SFG) die gemittelte Oberflächenstruktur und Form von Nanopartikel beleuchten kann. SFG‐Ergebnisse für verschiedene Partikelgrößen und Morphologien werden mit direkter Realraum‐Strukturanalyse mittels TEM und STM verglichen. Die beschriebene Anwendung von SFG kann zur in situ Detektion der Partikelstruktur verwendet werden und könnte ein wertvolles Werkzeug in der operando Katalyse werden.
Highly efficient and facile removal of As(V) from water by using Pb‐MOF with higher stable and fluorescence
Authors: Zhang Chong , Qin Yan , Ke Zhilin , Yin Lili , Xiao Yu , Zhang Shuhua
Published: March 2023

Metal–organic framework (MOF) materials are promising adsorbents for removing As(V) from sodium arsenate aqueous solutions, because of their high porosity and functional modulability. Two novel Pb(II) complexes {[Pb2(bcabsa)(μ2‐OH)]}n (Pb (bcabsa)) and {[Pb (Hbcabsa)]·(4,4′‐bpy)(H2O)}n (Pb (bcabsabpy)) (H3bcabsa = 4‐(N,N′‐bis(4‐carboxy benzyl)amino)benzene‐sulfonic acid, 4,4′‐bpy = 4,4′‐bipyridine), were hydrothermally synthesized. Pb (bcabsabpy) was characterized by single‐crystal X‐ray diffraction (SC‐XRD), X‐ray photoelectron spectroscopy (XPS), photoluminescence, powder X‐ray diffraction (XRD), and infrared radiation (IR) before and after the adsorption of As(V). In addition, the capacity of Pb (bcabsabpy) to remove arsenic was also investigated. The experimental results showed that Pb (bcabsabpy) had high stability within pH 4–12 and a relatively high As(V) removal rate (>90%) in the pH range of 4–10. The adsorption kinetics followed the pseudo‐second‐order kinetic model, whereas the adsorption isotherm was in agreement with the Langmuir equation. Pb (bcabsabpy) had a high adsorption capacity of As(V) in an aqueous solution (Qmax of 25.51 mg g−1). The fluorescence mechanism of the H3bcabsa, Pb (bcabsa), and Pb (bcabsabpy) are assigned to π‐π*, n‐π*, and π‐π* electron transition processes, respectively.
Numerical simulation of thermo‐solid coupling under the condition of unidirectional heating of underground coal gasification overlying rock
Authors: Xin Lin , Li Jiaze , Niu Maofei , Li Chao , Wu Jing , Wang Bowei , Xu Weihao , Feng Mingze , Ma Yan
Published: March 2023

In order to study the variation law of temperature and stress of overlying rock under the thermal solid coupling condition of underground coal gasification (UCG), the coal measure sandstone samples were heated in one direction, the variation law of temperature and thermal stress was analyzed, and the experiment was analyzed using the numerical simulation software COMSOL. The temperature field, stress field, and volume strain distribution of rock mass are obtained. The results show that in the heating stage of the heating plate, the temperature curve of each measuring point changes rapidly and the temperature rises rapidly, and due to the decrease of the heating rate of the heating plate, the change rate of thermal stress tends to decrease. In the circumferential region of the lower end face, stress stretching occurs and the radial strain is the largest. Under the constraint of unidirectional heating, the temperature distribution of rock along the height direction is obvious. The principal stress is mainly concentrated near the lower end face of the specimen. The research results are helpful to study the thermal damage and fracture characteristics of overlying sandstone of UCG from the perspective of thermal solid coupling.
Process improvement and heat integration of rich gas ethane recovery
Authors: Jiang Hong , Gao Peng , Yang Tonglin
Published: March 2023

The recovery of ethane from natural gas is an important measure to enhance the economic benefit and energy saving of oilfields. In the process of condensation, the gas‐rich ethane recovery process has the problems of high condensation, high methane content, difficult control of cold box pinch temperature, and high energy consumption. Based on the Recycle Split Vapor (RSV) process, two improved processes, Supplemental Rectification with Compression and Recycle Split Vapor (SRCR) and Recycle Split Vapor with Liquid Flashing (RSVL), are proposed. Energy consumption analysis shows that RSVL process has the lowest total compression power and lower investment cost than SRCR process. The heat integration analysis shows that the ratios R1 and R2 of the demethanizer side‐draw duty directly influence the temperature matching of the cold and hot streams in the main cold box. For rich gas, R1 is advised to set between .5 and .75, and R2 is advised to set between .6 and .8. The sensitivity analysis shows that the lower the feed gas pressure and the richer the gas, the higher the total compression power of the process, and the closer the composite curve of cold and heat in the main cold box. The higher the feed gas temperature, the greater the total compression power. The higher the CO2 content in the feed gas, the higher the total compression power of the RSVL process, and the smaller the CO2 freezing temperature in the demethanizer.
Assessment of metabolic stability and pharmacokinetics by LC–MS/MS and establishment of the safe dose of IMID‐2, a novel anticancer molecule under drug discovery
Authors: Kumar S. Pranush , Jadav Tarang , Sahu Amit Kumar , Ghosh Chowdhary Moumita , Siwach Ankit , Patel Harit , Patel Sagarkumar , Rajput Niraj , Shard Amit , Khairnar Amit , Sengupta Pinaki
Published: March 2023

Pyruvate kinase (PK) M2 activators ramp up glycolysis in cancer cells, leading to a reversal of the Warburg effect in cancer cells. A promising PKM2 activator molecule, IMID‐2, developed by the National Institute of Pharmaceutical Education and Research—Ahmedabad showed promising anticancer activity against MCF‐7 and COLO‐205 cell lines, which represent breast and colon cancer. Its physicochemical properties, like solubility, ionization constant, partition coefficient and distribution constant, have already been established. Its metabolic pathway is also well established throughin vitroandin vivometabolite profiling and reported previously. In this study, we have evaluated the metabolic stability of IMID‐2 using LC–MS/MS and investigated the safety aspect of the molecule through an acute oral toxicity study.In vivostudies in rats confirmed that the molecule is safe even at a dose level of 175 mg/kg. Furthermore, a pharmacokinetic study of IMID‐2 was also carried out using LC–MS/MS to understand its absorption, distribution, metabolism, and excretion profile. The molecule was found to have promising bioavailability through the oral route. This research work is thus another step in the drug testing of this promising anticancer molecule. The molecule can be considered to be a potential anticancer lead based on the earlier report substantiated by current findings.
Endovascular repair using parallel grafts to treat a suprarenal pancreatitis‐related abdominal aortic pseudoaneurysm
Authors: Zacà Sergio , Patruno Isabella , Pulli Raffaele , Angiletta Domenico
Published: March 2023

Arterial pseudoaneurysms represent an uncommon complication of acute pancreatic inflammation or chronic pancreatitis. We describe a contained rupture of a suprarenal abdominal aortic pseudoaneurysm. An aorto‐uni‐iliac stent‐graft was adopted as the aortic main body and was combined with two chimneys and two periscope stents for celiac/superior mesenteric artery and renal arteries, respectively. The procedure was complicated by the entrapment of the celiac sheath into the barbs of the aortic stent‐graft and the attempts to remove the sheath resulted in an upward migration of the stent‐grafts. A bail‐out endovascular procedure was used to reline the stent‐grafts and the pseudoaneurysmal sac was embolized with coils.
Nivolumab‐induced acute tubular injury: A case report
Authors: Yang Hui‐Hsin , Chang Chia‐Wen , Chen Tai‐Di
Published: March 2023

Nivolumab belongs to immune checkpoint inhibitors (ICIs). ICIs‐induced kidney injury is rare and acute interstitial nephritis (AIN) is the majority. A 58‐year‐old woman had gastric cancer treated with nivolumab. Her serum creatinine (Cr) increased to 5.94 mg/dL post 2 cycles of nivolumab and co‐administered with acemetacin. A kidney biopsy showed acute tubular injury (ATI). Nivolumab rechallenge was done and Cr worsened again. The lymphocyte transformation test (LTT) indicated a strong positive for nivolumab. Although rare, ATI due to ICIs could not be ruled out, and LTT is a tool to identify the culprit.
Life‐threatening airway obstruction due to retropharyngeal and cervicomediastinal hematomas following transjugular intrahepatic portosystemic shunt procedure for acute variceal bleeding in cirrhosis.
Authors: Li Long , Chen Yong
Published: March 2023

We report a case of life‐threatening airway obstruction due to retropharyngeal‐cervicomediastinal hematomas following transjugular intrahepatic portosystemic shunt or acute variceal bleeding in cirrhosis. Even though this is a rare complication, clinicians should maintain a high index of suspicion and evaluate and treat it promptly to prevent a fatal outcome.
Heinz body hemolysis following extended use phenazopyridine in a post‐HCT patient with hemorrhagic cystitis: An old problem for a new generation
Authors: Ferdjallah Asmaa , Long Susie , Dayton Vanessa , Gupta Ashish O.
Published: March 2023

Hemorrhagic cystitis is a common complication following the use of cyclophosphamide. Associated dysuria can be painful and there are few good options to relieve pain. Phenazopyridine has historically been utilized for dysuria and is available over the counter. However, it is associated with hematologic side effects with prolonged use. Here we present a case of a patient who developed Heinz body hemolysis following prolonged administration of phenazopyridine to treat cyclophosphamide‐induced hemorrhagic cystitis following hematopoietic stem cell transplant.
A rare multiple myeloma complication as a spinal cord metastasis: A case report
Authors: Mansour Marah , Haider Zeinab , Al Khiami Lin , Sioufi Mohammad Saleem Talal , Takieddin Asmaa , Al Shamat Aiman Abo , Alwaw Ricarda , Musleh Mais
Published: March 2023

Multiple myeloma is a hematological cancer mostly located in the marrow of the vertebrae, pelvis, and thighs. Although the presence of extramedullary disease in the central nervous system is rare, herein, we report a complicated case of multiple myeloma in the spinal cord.
Takotsubo (stress) cardiomyopathy induced by acute asthma exacerbation in elderly woman
Authors: Al Khodari Khaled , Alhaj Tahtouh Raad , Abdullatef Waleed K. , Al Khodari Mouaz
Published: March 2023

A 73‐year‐old patient who was admitted secondary to acute asthma exacerbation that required frequent salbutamol and adrenaline nebulization. Takotsubo cardiomyopathy (TTC) was diagnosed after the new onset of chest pain with modest troponin elevation and normal coronary angiogram. Low ejection fraction and apical akinesia were completely resolved after her symptoms got improved.
Cavernous sinus thrombosis in ulcerative colitis recurrent after pregnancy: A case report
Authors: Akhoundizardini Sepideh , Jafarshad Reyhaneh , Taftian Azadeh , Nirouei Matineh , Mahboubipour Hamid , Farahani Masoumeh
Published: March 2023

Inflammatory bowel disease and pregnancy are risk factors for increased hyper coagulopathy state. A 35‐year‐old woman with ulcerative colitis was presented in this study. She had the recurrence of the disease during pregnancy. She suffered cavernous sinus thrombosis simultaneously.
Periodic Mesoporous Organosilica Nanomaterials with Unconventional Structures and Properties
Authors: Vafaeezadeh Majid , Thiel Werner R.
Published: March 2023

Periodic mesoporous organosilicas (PMOs) are high surface area organic‐inorganic hybrid nanomaterials that have found broad applications in various fields of research such as in (bio)chemistry or material science. By choosing suitable organic groups in the framework of these materials, their surface properties such as polarity, optical/electrical characteristics and adsorption capacity can be tuned. This critical review provides an overview of the current state of the art in the developments and applications of some PMO nanomaterials in diverse fields of research. This is placed in the context of four leading areas of PMO nanomaterials, including chiral PMOs, plugged PMO nanomaterials, Janus PMOs and PMO‐based nanomotors. The review briefly discusses the recent and key findings on these PMO nanomaterials as well as their potential applications for future developments.
Peracid Oxidation of Unactivated sp3 C−H Bonds: An Important Solvent Effect
Authors: Maciuk Sergej , Wood Susanna H. , Patel Vipulkumar K. , Shapland Peter D. P. , Tomkinson Nicholas C. O.
Published: March 2023

The peracid oxidation of hydrocarbons in chlorinated solvents is a low yielding and poorly selective process. Through a combination of DFT calculations, spectroscopic studies, and kinetic measurement it is shown that the origin of this is electronic in nature and can be influenced through the addition of hydrogen bond donors (HBD) and hydrogen bond acceptors (HBA). Performing the reaction of a cycloalkane with mCPBA in a fluorinated alcohol solvent such as nonafluoro‐tert‐butanol (NFTB) or hexafluoroisopropanol (HFIP), which act as strong HBD and poor HBA, leads to significantly higher yields and selectivities being observed for the alcohol product. Application of the optimised reaction conditions allows for the selective oxidation of both cyclic and linear alkane substrates delivering the corresponding alcohol in up to 86 % yield. The transformation shows selectivity for tertiary centres over secondary centres and the oxidation of secondary centres is strongly influenced by stereoelectronic effects. Primary centres are not oxidised by this method. A simple computational model developed to understand this transformation provides a powerful tool to reliably predict the influence of substitution and functionality on reaction outcome.
Efficient K‐Storage of Fe‐Coupled Organic Molecule Anode in Ether‐Based Electrolytes
Authors: Shen Nailu , Chen Ningning , Lai Qingxue , Pang Yinshuang , Sheng Yi , Chen Hong , Zhang Wanying , Zheng Jing , Liang Yanyu
Published: March 2023

Given these advantages of widely designable structures and environmentally friendly characteristics, organic electrode materials (OEMs) are considered to be promising electrode materials for alkaline metal‐ion batteries. However, their large‐scale application is hampered by insufficient specific capacity and rate performance. Here, Fe2+ is coupled to the anhydride molecule NTCDA to form a novel K‐storage anode Fe‐NTCDA. In this way, the working potential of Fe‐NTCDA anode is reduced, which makes it more suitable to be used as an anode material. Meanwhile, the electrochemical performance is significantly improved due to the increase in K‐storage sites. Moreover, electrolytes regulation is implemented to optimize the K‐storage behavior, resulting into a high specific capacity of 167 mAh/g after 100 cycles at 50 mA/g and 114 mAh/g even at 500 mA/g in the 3 M KFSI/DME electrolytes.