bluuebunny/crossref_metadata_2025 huggingface dataset:
Do major customers encourage innovative sustainable development? Empirical evidence from corporate green innovation in China
Authors: Huang Chang , Chang Xiao , Wang Yang , Li Nicolas
Published: May 2022

This paper examines the impact of customer concentration on green innovation in Chinese listed firms between 2006 and 2018 through the dynamic panel generalized method of moments regressions. It is reported that major customers positively impact corporate green innovation, indicating that firms have more incentives to engage in innovative green practices to maintain stable relationships with major customers. In addition, the positive relationship between customer concentration and green innovation is more pronounced in state‐owned enterprises, firms located in the provinces with a high level of marketization, and after China's new Environmental Protection Law implementation. Moreover, we observe that the positive impact of customer concentration on corporate green innovation is more significant among industrial firms and firms operating in heavily polluting industries. Furthermore, industrial competition is an essential channel for major customers to affect corporate green innovation.
Identification of pyroptosis‐related gene prognostic signature in head and neck squamous cell carcinoma
Authors: Li Zhanzhan , Shen Lin , Li Yanyan , Shen Liangfang , Li Na
Published: May 2022

Background

Head and neck squamous cell carcinoma (HNSCC) is a life‐threatening disease with poor prognosis. Pyroptosis has been recently disclosed as a programmed cell death triggered by invasive infection, involved in cancer development. However, the prognosis role of pyroptosis‐related genes in HNSCC has not been discussed.

Methods

The RNA sequence data of pyroptosis‐related genes were obtained from The Cancer Genome Atlas (TCGA) database. Cox regression and the least absolute shrinkage and selection operator (LASSO) analysis were performed to screen the HNSCC survival‐related signature genes. We established a HNSCC risk model with the identified prognostic genes, then divided the HNSCC patients into low‐ and high‐risk subgroups according to median risk score. Moreover, we utilized Gene Expression Omnibus (GEO) dataset to validate the risk model. Go and KEGG analyses were conducted to reveal the potential function of differential expression of genes that identified between low‐ and high‐risk subgroups. ESTIMATE algorithm was performed to investigate the immune infiltration of tumors. Correlation between signature gene expression and drug‐sensitivity was disclosed by Spearman's analysis.

Results

We constructed a HNSCC risk model with identified seven pyroptosis‐related genes (CASP1, GSDME, IL6, NLRP1, NLRP2, NLRP6, and NOD2) as prognostic signature genes. High‐risk subgroup of HNSCC patients in TCGA cohort correlated with lower survival probability than patients from low‐risk subgroup (p < .001), and the result is verified with GEO dataset. In addition, 161 genes were identified differentially expressed between the low‐ and high‐risk subgroups in the TCGA cohort, mainly related to immune response. Higher PD‐L1 expression level was found in the high‐risk subgroup that indicated the possible employment of immune checkpoint inhibitors. IL6 was positively correlated with WZ3105 and MPS‐1‐IN‐1 in the cancer therapeutics response portal database.

Conclusion

We built and verified a risk model for HNSCC prognosis using seven pyroptosis‐related signature genes, which could predict the overall survival of HNSCC patients and facilitate treatment.
Bromo‐Substituted Diazenyl‐pyrazolo[1,5‐a]pyrimidin‐2‐amines: Sonogashira Cross‐Coupling Reaction, Photophysical Properties, Bio‐interaction and HSA Light‐Up Sensor
Authors: Stefanello Felipe S. , Kappenberg Yuri G. , Araújo Juliane N. , Dozza Bianca , Nogara Pablo A. , Rocha João B. T. , Zanatta Nilo , Martins Marcos A. P. , Bonacorso Helio G. , Iglesias Bernardo A.
Published: May 2022

A convenient synthesis of a broad series of thirteen examples of alkyne‐spacer derivatives 2 from the well‐known Sonogashira cross‐coupling reaction on diazenyl‐pyrazolo[1,5‐a]pyrimidin‐2‐amine compounds 1 is reported. The reactivity of heterocycles 1 due the presence of selected electron‐donor (EDG) and electron‐withdrawing (EWG) groups attached to different alkynes was evaluated. Also, the reactional versatility due the position variation of the bromo atom at the scaffolds 1 was also investigated. In general, derivatives presented strong absorption bands at the 250–500 nm optical window and UV to cyan emission properties. Also, the redox analysis was recorded by electrochemical cyclic voltammetry technique. For HSA biomacromolecule assays, spectroscopic studies by UV‐Vis, steady‐state and time‐resolved emission fluorescence, and molecular docking calculations evidenced the ability of each compound to establish interactions with human serum albumin (HSA). Finally, the behavior presented for this new class of heterocycles makes them a promising tool as optical sensors for albumins.
Bone marrow aspiration in a patient with systemic microsporidium
Authors: Gómez Ximena E. , Castillo Jorge J. , Gómez Marco A.
Published: May 2022

A 34‐year‐old female presented with several weeks of fever, fatigue, weight loss, abdominal pain and hemoptysis. PE revealed moderate pallor, RUQ pain, mild dyspnea, conjunctival injection and hepatomegaly. The CBC showed anemia, mild leukocytosis, hypoalbuminemia, hypertransaminasemia, presence of nucleated red blood cells. Microsporidium was found in BMA.
Layered Uranyl Phosphonates Encapsulating Co(II)/Mn(II)/Zn(II) Ions: Exfoliation into Nanosheets and Its Impact on Magnetic and Luminescent Properties
Authors: Wen Ge‐Hua , Zou Qian , Xu Kui , Huang Xin‐Da , Bao Song‐Song , Chen Xue‐Tai , Ouyang Zhongwen , Wang Zhenxing , Zheng Li‐Min
Published: May 2022

Layered heterometallic 5f–3d uranyl phosphonates can exhibit unique luminescent and/or magnetic properties, but the fabrication and properties of their 2D counterparts have not been investigated. Herein we report three heterobimetallic uranyl phosphonates, namely, [(UO2)3M(2‐pmbH)4(H2O)4] ⋅ 2H2O [MU, M=Co(II), CoU; Mn(II), MnU; Zn(II), ZnU; 2‐pmbH3=2‐(phosphonomethyl)benzoic acid]. They are isostructural and display two‐dimensional layered structures where the M(II) centers are encapsulated inside the windows generated by the diamagnetic uranyl phosphonate layer. Each M(II) has an octahedral geometry filled with four water molecules in the equatorial positions and two phosphonate oxygen atoms in the axial positions. The uranium atoms adopt UO7 pentagonal bipyramidal and UO6 square bipyramidal geometries. The lattice and coordination water molecules can be released by thermal treatment and reabsorbed in a reversible manner, accompanied with changes of magnetic dynamics. Interestingly, the bulk samples of MU can be exfoliated in acetone via freezing and thawing processes forming nanosheets with single‐layer or two‐layer thickness (MU‐ns). Magnetic studies revealed that the CoU and MnU systems exhibited field‐induced slow magnetization relaxation at low temperature. Compared with crystalline CoU, the magnetic relaxation of the CoU‐ns aggregates is significantly accelerated. Moreover, photoluminescence measured at 77 K showed slight red‐shift of the five characteristic uranyl emission bands for ZnU‐ns in comparison with those of the crystalline ZnU. This work gives the first examples of 2D materials based on 5f–3d heterometallic uranyl phosphonates and illustrates the impact of dimension reduction on their magnetic/optical properties.
Binding, Release and Functionalization of Intact Pnictogen Tetrahedra Coordinated to Dicopper Complexes
Authors: Piesch Martin , Nicolay Amélie , Haimerl Maria , Seidl Michael , Balázs Gábor , Don Tilley T. , Scheer Manfred
Published: May 2022

The bridging MeCN ligand in the dicopper(I) complexes [(DPFN)Cu2(μ,η1 : η1‐MeCN)][X]2 (X=weakly coordinating anion, NTf2 (1 a), FAl[OC6F10(C6F5)]3 (1 b), Al[OC(CF3)3]4 (1 c)) was replaced by white phosphorus (P4) or yellow arsenic (As4) to yield [(DPFN)Cu2(μ,η2 : η2‐E4)][X]2 (E=P (2 a–c), As (3 a–c)). The molecular structures in the solid state reveal novel coordination modes for E4 tetrahedra bonded to coinage metal ions. Experimental data and quantum chemical computations provide information concerning perturbations to the bonding in coordinated E4 tetrahedra. Reactions with N‐heterocyclic carbenes (NHCs) led to replacement of the E4 tetrahedra with release of P4 or As4 and formation of [(DPFN)Cu2(μ,η1 : η1‐MeNHC)][X]2 (4 a,b) or to an opening of one E−E bond leading to an unusual E4 butterfly structural motif in [(DPFN)Cu2(μ,η1 : η1‐E4DippNHC)][X]2 (E=P (5 a,b), E=As (6)). With a cyclic alkyl amino carbene (EtCAAC), cleavage of two As−As bonds was observed to give two isomers of [(DPFN)Cu2(μ,η2 : η2‐As4EtCAAC)][X]2 (7 a,b) with an unusual As4‐triangle+1 unit.
Optimization of pressure‐vacuum swing adsorption processes for nitrogen rejection from natural gas streams using a nitrogen selective metal organic framework
Authors: Wilkins Nicholas Stiles , Pai Kasturi Nagesh , Rajendran Arvind
Published: May 2022

A vanadium(II/III) metal–organic framework (MOF), V2Cl2.8(btdd), that is selective to N2 over CH4 was recently discovered. Process optimizations were performed to determine the performance of this MOF to reach the pipeline transport purity of 96 mol% CH4. Two cycles were considered: the basic three‐step cycle and the Skarstrom cycle. First, the three‐step cycle was considered with a wide range of operating conditions. Three inlet compositions (55/45, 80/20, and 92/8 mol% CH4/N2), three process temperatures (30, 40, and 50°C) and a range of adsorption pressures (100–500 kPa) were considered. A detailed process model in tandem with machine learning‐aided optimization was employed to determine the optimal set of operating conditions. The three‐step cycle was unable to meet the 96 mol% CH4 purity requirement in most cases studied. However, the Skarstrom cycle was able to meet the 96 mol% CH4 purity requirement in all cases studied. The maximum recovery, at a purity of 96 mol%, was at 84.2% for the Skarstrom cycle with a methane feed composition of 80 mol% at 50°C and an adsorption pressure of 100 kPa. For the Skarstrom cycle, at a feed temperature of 50°C, an adsorption pressure of 100 kPa and a feed methane composition of 92 mol%, the productivity could be as high as 21.18 tonnes per day CH4 m−3 at a recovery of 73%. The achievable recovery‐productivity values were comparable to a carbon molecular sieve process reported in the literature at similar operating conditions.
Multilabel causal variable discovery in multisource
Authors: Wang Yun‐an , Lin Yaojin , Yu Xiehua , Wang Jie , Wei Zhisen , Wu Jianfeng , Li Shaozi
Published: May 2022

Multilabel causal feature selection, as a well‐known and effective approach in dealing with high‐dimensional multilabel data, is a popular topic. Amount of causal feature selection algorithms have achieved a great deal of success in classification and prediction tasks. However, the descriptive information of data is collected from different data sources in many practical applications. While few researches focus on the causal variable discovery in multisource environments due to the complex causal relationships. To address these problems, we propose a causal feature selection framework in multisource environments to solve the above problems. Firstly, we mine the causal mechanism with respect to the class attribute under the assumption that only a single data source is included. Secondly, by utilizing the concept of causal invariance in causal inference, we formulate the problem of causal feature selection with multiple data sources as a search problem for an invariant set across data sources. In addition, we give the upper and lower bounds of the causal invariant set. Finally, we design a novel multisource multilabel causal feature selection (MMCFS) algorithm. To verify the effectiveness of the proposed algorithm, we compare it with 12 feature selection methods on synthetic datasets. Experiment results show that the classification performance of MMCFS achieves highly competitive performance against other comparing algorithms.
Recombinant Porphyromonas gingivalis W83 FimA alters immune response and metabolic gene expression in oral squamous carcinoma cells
Authors: Groeger Sabine E. , Hudel Martina , Zechel‐Gran Silke , Herrmann Jens M. , Chakraborty Trinad , Domann Eugen , Meyle Joerg
Published: May 2022

Objectives

The Gram‐negative anaerobic rod Porphyromonas gingivalis (P. gingivalis) is regarded as a keystone pathogen in periodontitis and expresses a multitude of virulence factors iincluding fimbriae that are enabling adherence to and invasion in cells and tissues. The progression of periodontitis is a consequence of the interaction between the host immune response and periodontal pathogens. The aim of this study was to investigate the genome‐wide impact of recombinant fimbrial protein FimA from P. gingivalis W83 on the gene expression of oral squamous carcinoma cells by transcriptome analysis.

Materials and Methods

Human squamous cell carcinoma cells (SCC‐25) were stimulated for 4 and 24 h with recombinant FimA. RNA sequencing was performed and differential gene expression and enrichment were analyzed using gene ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG), and REACTOME. The results of transcriptome analysis were validated using quantitative real‐time polymerase chain reaction (PCR) with selected genes.

Results

Differential gene expression after 4 and 24 h revealed upregulation of 464 (4 h) and 179 genes (24 h) and downregulation of 69 (4 h) and 312 (24 h) genes. GO, KEGG, and REACTONE enrichment analysis identified a strong immunologic transcriptomic response signature after 4 h. After 24 h, mainly those genes were regulated, which belonged to cell metabolic pathways and replication. Real‐time PCR of selected genes belonging to immune response and signaling demonstrated strong upregulation of CCL20, TNFAIP6, CXCL8, TNFAIP3, and NFkBIA after both stimulation times.

Conclusions

These data shed light on the RNA transcriptome of human oral squamous carcinoma epithelial cells following stimulation with P. gingivalis FimA and identify a strong immunological gene expression response to this virulence factor. The data provide a base for future studies of molecular and cellular interactions between P. gingivalis and oral epithelium to elucidate basic mechanisms that may provide new prospects for periodontitis therapy and give new insights into the development and possible treatments of cancer.
Research Progress of Highly Efficient Noble Metal Catalysts for the Oxidation of 5‐Hydroxymethylfurfural
Authors: Xu Haocheng , Li Xiaoyun , Hu Wenxuan , Yu Zhihao , Zhou Huanran , Zhu Yameng , Lu Lefu , Si Chuanling
Published: May 2022

5‐hydroxymethylfurfural (HMF) is considered to be one of the most pivotal multifunctional biomass platform chemicals. This Review discusses recent advances in catalytic oxidation of HMF towards high‐value products. The reaction mechanism of different noble metals and the path of HMF oxidation to high‐value products have been deeply investigated in the noble metal catalytic system. The reaction mechanisms of different noble metals and HMF conversion paths were compared in detail. Moreover, the factors affecting the performance of different noble metal catalysts were summarized. Finally, effective strategies were put forward to improve the catalytic performance of noble metal catalysts. The purpose is to provide a valuable reference for the academic research on the preparation of oxidation products from biomass‐based HMF and the industrial application of noble metal catalysts.
Dracula’s ménagerie: A multispecies occupancy analysis of lynx, wildcat, and wolf in the Romanian Carpathians
Authors: Dyck Marissa A. , Iosif Ruben , Promberger–Fürpass Barbara , Popescu Viorel D.
Published: May 2022

The recovery of terrestrial carnivores in Europe is a conservation success story. Initiatives focused on restoring top predators require information on how resident species may interact with the re‐introduced species as their interactions have the potential to alter food webs, yet such data are scarce for Europe.

In this study, we assessed patterns of occupancy and interactions between three carnivore species in the Romanian Carpathians. Romania houses one of the few intact carnivore guilds in Europe, making it an ideal system to assess intraguild interactions and serve as a guide for reintroductions elsewhere.

We used camera trap data from two seasons in Transylvanian forests to assess occupancy and co‐occurrence of carnivores using multispecies occupancy models.

Mean occupancy in the study area was highest for lynx (Ψwinter = 0.76 95% CI: 0.42–0.92; Ψautumn = 0.71 CI: 0.38–0.84) and wolf (Ψwinter = 0.60 CI: 0.34–0.78; Ψautumn = 0.81 CI: 0.25–0.95) and lowest for wildcat (Ψwinter = 0.40 CI: 0.19–0.63; Ψautumn = 0.52 CI: 0.17–0.78)

We found that marginal occupancy predictors for carnivores varied between seasons. We also found differences in predictors of co‐occurrence between seasons for both lynx‐wolf and wildcat‐wolf co‐occurrence. For both seasons, we found that conditional occupancy probabilities of all three species were higher when another species was present.

Our results indicate that while there are seasonal differences in predictors of occupancy and co‐occurrence of the three species, co‐occurrence in our study area is high.

Terrestrial carnivore recovery efforts are ongoing worldwide. Insights into interspecific relations between carnivore species are critical when considering the depauperate communities they are introduced in. Our work showcases that apex carnivore coexistence is possible, but dependent on protection afforded to forest habitats and their prey base.
Assessment and time–space difference analysis of sponge city construction potential: A case study in Jiangsu, China
Authors: Xu Jun , Jiang Yuchen
Published: May 2022

This paper constructs a sponge city construction potential evaluation index system, uses a variable fuzzy recognition model to evaluate the construction level of sponge cities in 13 prefecture‐level cities in Jiangsu Province from 2013 to 2019, and analyses its dynamic evolution trend based on Kernel density estimation. The analysis shows that the construction potential of sponge city in Jiangsu Province shows an overall upward trend, and the potential levels of 13 cities can be divided into three camps: Suzhou, Wuxi, Nanjing, Nantong and Changzhou are the first camps with higher potential; Yangzhou, Zhenjiang and Taizhou are the second camp of medium level; Xuzhou, Huai'an, Suqian, Yancheng and Lianyungang are the third camp of lower level. The overall situation is a trend of ‘big in the south and small in the north’. On this basis, the advantages and disadvantages of different cities and their development directions were further clarified, and a certain reference for promoting the construction of sponge city was provided.
The Fluorination of Boron‐Doped Graphene for CFx Cathode with Ultrahigh Energy Density
Authors: Wang Kai , Feng Yiyu , Kong Lingchen , Peng Cong , Hu Yuanhang , Li Weiyu , Li Yu , Feng Wei
Published: May 2022

The enhancement of the fluorination degree of carbon fluorides (CFx) compounds is the most effective method to improve the energy densities of Li/CFx batteries because the specific capacity of CFx is proportional to the molar ratio of F to C atoms (F/C). In this study, B‐doped graphene (BG) is prepared by using boric acid as the doping source and then the prepared BG is utilized as the starting material for the preparation of CFx. The B‐doping enhances the F/C ratio of CFx without hindering the electrochemical activity of the C–F bond. During the fluorination process, B‐containing functional groups are removed from the graphene lattice. This facilitates the formation of a defect‐rich graphene matrix, which not only enhances the F/C ratio due to abundant perfluorinated groups at the defective edges but also serves as the active site for extra Li+ storage. The prepared CFx exhibits the maximum specific capacity of 1204 mAh g−1, which is 39.2% higher than that of CFx obtained directly from graphene oxide (without B‐doping). An unprecedented energy density of 2974 Wh kg−1 is achieved for the as‐prepared CFx samples, which is significantly higher than the theoretically calculated energy density of commercially available fluorinated graphite (2180 Wh kg−1). Therefore, this study demonstrates a great potential of B‐doping to realize the ultrahigh energy density of CFx cathodes for practical applications.
Heart failure ejection fraction class conversions: impact of biomarkers, co‐morbidities, and pharmacotherapy
Authors: Lorenzo Christian J. , Conte Jorge I. , Villasmil Ricardo J. , Abdelal Qassem K. , Pierce Derek , Wiese‐Rometsch Wilhelmine , Garcia‐Fernandez Joel A.
Published: May 2022

Aims

Temporal conversions among ejection fraction (EF) classes can occur across the heart failure (HF) spectrum reflecting amended structural and functional outcomes unaccounted for by current taxonomy. This retrospective study aims to investigate the differences in serum laboratory values, guideline‐directed medical therapy (GDMT), and co‐morbidity burden across EF conversion groups.

Methods and results

Heart failure patients at least 18‐year‐old who obtained at least two echocardiograms between January 2018 and January 2020 were identified using ICD‐10 codes. Analysis of variance, chi‐square tests, and analysis of means for proportions were used as appropriate to identify associations with class conversion groups. A total of 874 patients who underwent 1748 echocardiograms on unique visits were categorized according to initial EF as HF with preserved EF (HFpEF) (n = 531, 61%), HF with mildly reduced or midrange EF (HFmrEF) (n = 132, 15%), or HF with reduced EF (HFrEF) (n = 211, 24%). In accordance with follow‐up EF, class conversions were categorized into HF with improved EF (HFiEF) (n = 143, 16%), HF with worsened EF (HFwEF) (n = 171, 20%), or HF with stable EF (HFsEF) (n = 560, 64%). The average age was 75 ± 13 years old; 54% were male, 85% were Caucasian, 11% were African American, and 4% other. The mean time between EF assessments was 208.6 ± 170.2 days. Serum sodium levels were greater in HFwEF (139 ± 3 mmol/L) when compared with HFsEF (138 ± 4 mmol/L) (P = 0.05). Pro‐BNP levels were higher in HFiEF (12 150 ± 19 554 pg/mL) versus HFsEF (6671 ± 10 525 pg/mL) (P = 0.007). Angiotensin receptor‐neprilysin inhibitors (ARNI) were more frequently ordered on index visit in HFiEF (P = 0.03), but no other significant differences in GDMT were identified. Despite similar Elixhauser Co‐morbidity Measure (ECM) scores, ECM categorical analysis revealed that HFwEF was more likely to have an established diagnosis of depression (P = 0.03) and a spectrum of psychiatric illnesses (P = 0.03) on preliminary visit. HFsEF was less likely to have an established diagnosis of blood loss anaemia (P = 0.04). Metastatic cancer was more likely to have been diagnosed in HFiEF and less likely in HFsEF (P = 0.002).

Conclusions

Despite similar ECM scores, EF class conversion groups demonstrated salient differences in average serum sodium and pro‐BNP levels. Inpatient ARNI orders, psychiatric, hematologic, and oncologic co‐morbidity patterns were also significantly different. Findings demonstrate blood‐based biomarker patterns and targetable co‐morbid conditions which may play a role in future EF class conversion. Dedicated studies evaluating measurements related to GDMT dose‐titration, quality of life, and functionality are the next steps in this field of HF.
Ru(N^N)3‐Metalloligand Pillared Zr6‐Organic Layers for Aerobic Photooxidation
Authors: Wei Xiao‐Mei , Qi Yong‐Fang , Huang Sheng‐Li , Yang Guo‐Yu
Published: May 2022

The stable Zr6‐based coordination framework Ru‐1 was assembled via the linkage of Zr6‐organic layers and photosensitized Ru(N^N)3‐metalloligand. Based on its 1D open channel and the incorporation of Ru(N^N)3‐photosensitizer, it can serve as a highly efficient heterogeneous catalyst in the aerobic photooxidation reactions, including photooxidation of sulfides, coupling of amines and oxidative hydroxylation of arylboronic acids. The stability and catalytic performance of recycled Ru‐1 was also explored.
Germanium Hydride Catalyzed Selective Hydroboration and Cyanosilylation of Ketones
Authors: Khuntia Anwesh Prasad , Sarkar Nabin , Patro A. Ganesh , Sahoo Rajata Kumar , Nembenna Sharanappa
Published: May 2022

Two new examples of β‐diketiminate or NacNac analogues, i. e., conjugated bis‐guanidinate (CBG) stabilized low valent germanium chloride (1) and germanium hydride (2) complexes, are reported. Deprotonation of LH upon treatment with n‐BuLi and an in situ generated LLi further treated with GeCl2⋅dioxane afforded LGeCl in 79 % yield. Compound 1 reacted with hydride source NaHBEt3 in toluene, afforded Ge (II) hydride (2) in 76 % yield. Both compounds 1 and 2 were characterized by NMR and mass spectroscopic methods. Further, germanium hydride catalyzed hydroboration and cyanosilylation of a wide range of ketones have been investigated. Control reactions suggest hydroboration reactions occurred via insertion and Ge−O/B−H bond metathesis pathways. It is worthy of mentioning that, in the case of hydroboration of ketones, reducible groups such as alkene, alkyne, halide, ester, nitro, and heterocycles were untouched. Furthermore, compound 2 was employed for the reduction of carbonate, formate, and anhydride substrates via the hydroboration technique.
Zinc Chloride‐Promoted Coupling Reaction between Calcium Carbide and Aryl Chlorides
Authors: Jing Tianna , Liu Ning , Xu Caixia , Bu Qingqing
Published: May 2022

The direct synthesis of diarylethynes from less‐reactive aryl chlorides and calcium carbide was accomplished by palladium catalysis. The coupling reaction is provided with broad substrate scope, the use of ZnCl2 as cocatalyst, and the use of safe, inexpensive and easy to handle acetylene source, and provided the desired 1,2‐Bis(9‐anthryl)acetylene, even when being highly sterically hindered.
On the Mechanism of Halogen Atom Transfer from C−X Bonds to α‐Aminoalkyl Radicals: A Computational Study
Authors: Sanosa Nil , Peñín Beatriz , Sampedro Diego , Funes‐Ardoiz Ignacio
Published: May 2022

Generation of carbon centered radicals from organic halides represents a powerful tool in modern organic chemistry, especially in the context of photoredox catalysis. However, activation of carbon–halogen bonds is usually promoted by toxic and hazardous tin reagents. Alternatively, α‐aminoalkyl radicals have emerged as a cheap and efficient halogen atom transfer (XAT) reagents, although the activation mechanism is still underexplored with respect to hydrogen atom transfer (HAT) chemistry. Herein, we report a computational systematic evaluation of four different α‐aminoalkyl radicals on the Halogen Atom Transfer (XAT) mechanism. We have evaluated up to 32 reactions, including two different types of substrates (Ph−X and Cy−X). This systematic study aims to provide a big picture on the key effects in this reactivity including the hybridization of carbon, the nature of the halogen, and the electronics/sterics of the α‐aminoalkyl radical.
Double inorganic hole extraction layer of Cs:NiOx/CuInS2 for efficiency and stability enhancement of perovskite solar cells
Authors: Zhang Zhenlong , Ma Wenbo , Zhou Qing , Mao Yanli
Published: May 2022

In this work, we construct a double inorganic hole extraction layer (HEL) of Cs:NiOx/CuInS2 by inserting a thin film of Cs:NiOx between the perovskite (FAPbI3)1‐x (MAPbBr3)x and CuInS2 layers and fabricate n‐i‐p type perovskite solar cells (PSCs) using Cs:NiOx/CuInS2 as HEL. The efficiency of the PSCs with Cs:NiOx/CuInS2 reaches 18.04% from 16.13% for the devices with single HEL of CuInS2, which is close to the highest efficiency (19.24%) of the devices with double inorganic HEL reported. In addition, the operational stability of the devices with Cs:NiOx/CuInS2 is enhanced. The solar cells based on double HEL of Cs:NiOx/CuInS2 maintains 95% of the original PCE after keeping 32 days in ambient air, while the devices based on single HEL of CuInS2 keeps only 84% of the original PCE. In addition, the thermal stability of the PSCs with Cs:NiOx/CuInS2 is also enhanced compared with the devices based on CuInS2. The results demonstrate that the application of double HEL of Cs:NiOx/CuInS2 can enhance the performance and stability of PSCs simultaneously.
Global near real‐time daily apparent temperature and heat wave dataset
Authors: Yin Cong , Yang Yaping , Chen Xiaona , Yue Xiafang , Liu Yangxiaoyue , Xin Ying
Published: May 2022

Temperature is the most concerned factor in the human–environment interactions. Apparent temperature accounting for other meteorological variables, such as humidity, wind speed and solar radiation, is the equivalent temperature, and it is a more accurate indicator to reflect human's environmental temperature perception. High‐quality apparent temperature data are urgently needed for the further research on human–environment interactions. At the same time, as global heat waves continue to increase in frequency, duration and intensity, understanding the impact of heat waves on human health needs human perception‐based heat wave data. Using ERA5 hourly data on single levels of 2 m temperature, wind speed, dewpoint temperature and solar radiation, this study developed a global apparent temperature and heat wave (GATHW) toolbox based on the Climate Data Store (CDS) online platform. This toolbox allows using three methods to calculate daily apparent temperature and heat wave at three spatial resolutions of 0.25°, 0.5° and 1° respectively. It can realize online calculation, display and real‐time download and is updated in near real‐time. The global daily apparent temperature and annual heat wave dataset from 2006 to 2020 calculated by the toolbox can be obtained from https://www.doi.org/10.5281/zenodo.4764325. After evaluation, this dataset can well reflect the typical extreme temperatures and heat wave events, and is more accurate, with higher resolution and faster update frequency than similar data products, which can provide data support for the study of human–environmental interactions and extreme climate events.
Towards adoption of mobile data collection for effective adaptation and climate risk management in Africa
Authors: Adekola Olalekan , Lamond Jessica , Adelekan Ibidun , Bhattacharya‐Mis Namrata , Ekinya Mboto , Bassey Eze Eze , Ujoh Fanan
Published: May 2022

The collection and use of data on climate change and its impacts are crucial for effective climate adaptation and climate risk management. The revolution in internet access, technology and costs has led to a shift from using traditional paper‐based data collection to the use of Mobile Data Collection using Personal Digital Assistants (PDA) such as smartphones and tablets. In this paper, we report our experiences using both approaches for a household and business survey during a climate adaptation study in two Nigerian cities—Makurdi and Calabar. The focus of this paper is to evaluate and compare the effectiveness of using traditional paper‐based data collection and PDAs as data collection tools for climate change study in African societies. In Calabar, data were collected using paper questionnaires, while in Makurdi the questionnaires were developed on Open Data Kit (ODK) and administered using PDAs. Results show that data collection using PDA was faster, cheaper, more accurate and resulted in fewer omissions than paper‐based data collection. There was a time saving of four (4) minutes per questionnaire and a 24% cost saving when using PDA. PDA provides additional benefits where platforms can collect images, videos and coordinates. This significantly improved the credibility of the data collection process and provided further data that allowed for the mapping of environmental phenomena by linking survey research with geo‐referenced data in a geographic information systems platform to provide spatial representations of social and environmental system convergence. PDA offers a tool for collecting data that will make necessary socio‐environmental data available in a faster, reliable and cheaper manner; future research can build on this study by discovering other possible but less highlighted benefits of PDA. Although, with great benefits, there are lessons to be learnt and issues to consider when deploying PDA in large‐scale household surveys.
Multimodal magnetic resonance neuroimaging measures characteristic of early cART‐treated pediatric HIV: A feature selection approach
Authors: Khobo Isaac L. , Jankiewicz Marcin , Holmes Martha J. , Little Francesca , Cotton Mark F. , Laughton Barbara , van der Kouwe Andre J. W. , Moreau Allison , Nwosu Emmanuel , Meintjes Ernesta M. , Robertson Frances C.
Published: May 2022

Children with perinatally acquired HIV (CPHIV) have poor cognitive outcomes despite early combination antiretroviral therapy (cART). While CPHIV‐related brain alterations can be investigated separately using proton magnetic resonance spectroscopy (1H‐MRS), structural magnetic resonance imaging (sMRI), diffusion tensor imaging (DTI), and functional MRI (fMRI), a set of multimodal MRI measures characteristic of children on cART has not been previously identified. We used the embedded feature selection of a logistic elastic‐net (EN) regularization to select neuroimaging measures that distinguish CPHIV from controls and measured their classification performance via the area under the receiver operating characteristic curve (AUC) using repeated cross validation. We also wished to establish whether combining MRI modalities improved the models. In single modality analysis, sMRI volumes performed best followed by DTI, whereas individual EN models on spectroscopic, gyrification, and cortical thickness measures showed no class discrimination capability. Adding DTI and 1H‐MRS in basal measures to sMRI volumes produced the highest classification performance . The best multimodal MRI set consisted of 22 DTI and sMRI volume features, which included reduced volumes of the bilateral globus pallidus and amygdala, as well as increased mean diffusivity (MD) and radial diffusivity (RD) in the right corticospinal tract in cART‐treated CPHIV. Consistent with previous studies of CPHIV, select subcortical volumes obtained from sMRI provide reasonable discrimination between CPHIV and controls. This may give insight into neuroimaging measures that are relevant in understanding the effects of HIV on the brain, thereby providing a starting point for evaluating their link with cognitive performance in CPHIV.
A novel start‐loss mutation of the SH2B3 gene in a family with myeloproliferative neoplasms
Authors: Beghini Alessandro , Leuzzi Livia , Abazari Nazanin , Bossi Luca E. , Guido Valentina , Trojani Alessandra , Cairoli Roberto
Published: May 2022

The ever‐increasing advances in high‐throughput sequencing have broadened our understanding of the genetic pathogenesis of Philadelphia‐negative myeloproliferative neoplasms (MPNs). Convergent studies have shown that MPN driver mutations associate with additional mutations found in genes coding for negative regulators of the JAK/STAT signaling, including the SH2B3 (SH2B‐adaptor protein 3, also known as LNK). Here, we describe a novel heterozygous start‐loss mutation of the SH2B3 gene (c.3G>A, SH2B3M?) in a consanguineous family characterized by recurrent early onset of JAK2V617F‐positive MPNs. The model represented by this pedigree suggests that the SH2B3 could be a predisposing mutation that facilitates the acquisition of driver mutations.
Outcome of older myeloma patients in relationship to comorbidities and availability of second‐generation novel agents in a real‐life setting
Authors: Lalive d’Epinay Murielle , Güsewell Sabine , Graf Nicole , Mey Ulrich J. M. , Driessen Christoph , Hitz Felicitas
Published: May 2022

Major improvements in outcome of older patients with multiple myeloma (MM) have been achieved with the introduction of novel agents. Their impact in real‐life treatment of older patients is unclear. In this single center retrospective study, we analyzed the outcome of patients >65 years treated with first‐generation (FGNA) and second‐generation novel agents (SGNA) within two time periods 2012–2014 and 2015–2017. Patients were analyzed based on age, Charlson Comorbidity Index (CCI), International Staging System stage, year of diagnosis and withdrawal of agents due to toxicities. Overall 96 patients were included for analysis. Median age was 73 years (range 65–90), 55 (57%) patients were 65–75 years and 41 (43%) were >75 years old. 84 patients received a first‐line therapy, whereas 45 patients had ≥2 lines of systemic therapy. 20 patients were consolidated with autologous stem cell transplantation. 12 patients had no systemic therapy at all. In 17 of 21 cases a FGNA and in 4 of 21 a SGNA was withdrawn due to toxicity. Median overall survival (OS) for all patients with systemic therapy was 4.75 years (95% CI, 3.05‐NA). Borderline significant improvement of OS was observed in patients diagnosed 2015–2017 compared to 2012–2014 with HR 0.57 (95% CI, 0.31–1.02) p = 0.06. OS significantly differed for comorbid patients with low and intermediate risk CCI, HR 1.94 (95% CI, 1.07–3.54), p = 0.03 in the overall population. OS in patients treated with SGNA was not significantly different in patients with intermediate versus low risk CCI (HR 1.48 (95% CI 0.43–5.14, p = 0.54)). In conclusion, we found a trend toward improved survival for older MM patients after the introduction of novel agents during the observed time period. In patients treated with SGNA a smaller effect that comorbidity negatively affects survival was observed.
Improving access to maternal care in Africa through telemedicine and digital health
Authors: Bilal Wajeeha , Mohanan Parvathy , Rahmat Zainab S. , Ahmed Gangat Shazil , Islam Zarmina , Essar Mohammad Yasir , Aborode Abdullah Tunde , Onyeaka Helen
Published: May 2022

Access to maternal health care is limited for women in Africa, while it remains a crucial determinant of maternal mortality and morbidity. The utilization of telemedicine and digital health can help remove barriers to access through economical and geographical convenience. In addition, feasible frameworks operating on themes such as technology, user acceptance, short‐term and long‐term funding, organizational factors, and political and legislative aspects can help overcome implementation challenges that persist in Africa and permit maximal utilization of telehealth to enhance maternal outcomes.
How do people get information for COVID‐19 according to age groups?
Authors: Yum Seungil
Published: May 2022

This study highlights how people get important information on COVID‐19 according to age groups by employing social network analysis for Twitter. First, people have different key players according to the age groups. For example, while universities and journals play a crucial role in the adults' networks, news media have a significant impact on the elderly's networks. Second, people have different characteristics of social network groups according to age. For example, people belong to small groups, and barely communicate with others across the groups in the teens' networks, whereas people in each group have strong communication networks with other groups in the elderly's networks. Third, this study shows that people utilise different domains to share COVID‐19 information according to age. For example, while twitter.com ranks first in the children, teens, and elderly's networks, cnn.com places first in the adults' networks.
Energy and exergy analysis of the thermal distillation system using diesel engine waste thermal energy and radial finned tube evaporator
Authors: Kumar Satyendra , Chandra Prakash
Published: May 2022

The performance of the waste heat‐driven distillation system was investigated. The waste heat energy in the exhaust gas of the 7‐hp diesel engine generator was utilized for distillation purposes. The thermal distillation system is comprised of a submerged copper tube evaporator and water‐cooled U‐tube condenser. Four copper tube evaporators were used, including one plain evaporator and three radial finned evaporators with pitch 30, 60, and 90 mm. The efficiency of the thermal distillation system was determined by varying engine load and evaporator type. The net recovered energy and exergy, overall first and second law efficiency, and distillate yield rate was determined relative to the applied load and evaporator type. The results revealed that the net recovered energy and exergy improved by 6.04%–23.22% and factor 1.07–1.23, respectively, at 75% engine load for radial finned evaporator with a pitch of 30 mm relative to plane tube evaporator. The distillate yield was also improved by 23.75% at the highest applied load 75% and the lowest radial fin pitch compared with the plane tube.
Comparison of bromocriptine and hydroxyethyl starch in the prevention of ovarian hyperstimulation syndrome
Authors: Zhang Qiaoli , Ma Yanmin , Bu Xiaomeng , Jia Chanwei , Liu Yanjun , Wang Shuyu
Published: May 2022

Objective

To evaluate the effectiveness of bromocriptine for prevention of ovarian hyperstimulation syndrome (OHSS).

Methods

The retrospective study included women at risk of OHSS who were receiving gonadotropin‐releasing hormone antagonist protocols, including 52 women given 2.5 mg bromocriptine by rectal insertion, 52 women given 500 ml intravenous hydroxyethyl starch (HES), and 40 women who received no intervention. Treatments were administered daily for 5 days beginning on the day of oocyte retrieval. Baseline information and data related to OHSS were compared.

Results

No significant differences were found among groups in estradiol concentration on the day of trigger or in number of retrieved oocytes. Incidence of mild OHSS was not significantly different among groups, respectively 13.5%, 15.4%, and 17.5% (P > 0.05). The incidence of moderate to severe OHSS was significantly lower in the bromocriptine and HES groups compared with the control group, respectively 7.7%, 5.8%, and 22.5% (P < 0.05). D‐dimer levels were significantly lower in the bromocriptine and HES groups compared with the control group on Day 5 after oocyte retrieval (P < 0.05). No differences in liver or renal function were found in the three groups.

Conclusion

Bromocriptine was apparently as effective as intravenous HES in patients with high risk of OHSS.
Vaginal fluid index – The fifth amniotic pocket
Authors: Zipori Yaniv , Lauterbach Roy , Justman Naphtali , Hajaj Areen , David Chen Ben , Ginsberg Yuval , Khatib Nizar , Weiner Zeev , Beloosesky Ron
Published: May 2022

Objective

The forebag is a pocket of amniotic fluid preceding the fetal presenting part. Herein we describe the feasibility of transvaginal measurements of the forebag and assess its correlation with the standard amniotic fluid index (AFI).

Methods

A prospective study was carried out between January 2019 and July 2020. Eligible cases were women with singletons, vertex presentation, and normal AFI at term. We assessed the implementation and acceptance of a novel process in the clinical practice setting. Feasibility was assessed by using transvaginal ultrasound to measure the three orthogonal planes of the forebag. The vaginal fluid index (VFI) was defined as the volume composite of the three orthogonal planes. Correlations of the forebag measurements with both AFI and maximal vertical pocket were then calculated.

Results

In total, 292 out of 305 (95.7%) women were enrolled. All participants completed both transabdominal and transvaginal ultrasound, of which the vaginal pocket was demonstrated in 266 (91.1%) cases. We found significant correlations, in both nulliparas and multiparas, between the vaginal pocket measurements and the VFI to both the AFI and maximal vertical pocket measurements (R = 0.38, P < 0.001; R = 0.3, P < 0.001, respectively).

Conclusion

We introduced a new ultrasound variable, the VFI, with a high feasibility rate. This may provide invaluable information for future decision making around the time of delivery.
Organic–inorganic hybrid perovskite scintillators for mixed field radiation detection
Authors: Xia Mengling , Niu Guangda , Liu Linyue , Gao Runlong , Jin Tong , Wan Pengying , Pan Weicheng , Zhang Xianpeng , Xie Zuoxiang , Teale Sam , Cai Zenghua , Luo Jiajun , Zhao Shan , Wu Haodi , Chen Shiyou , Zheng Zhiping , Xie Qingguo , Ouyang Xiaoping , Sargent Edward H. , Tang Jiang
Published: May 2022

Sensitive and fast detection of neutrons and gamma rays is vital for homeland security, high‐energy physics, and proton therapy. Fast‐neutron detectors rely on light organic scintillators, and γ‐ray detectors use heavy inorganic scintillators and semiconductors. Efficient mixed‐field detection using a single material is highly challenging due to their contradictory requirements. Here we report hybrid perovskites (C8H12N)2Pb(Br1−xClx)4 that combine light organic cations and heavy inorganic skeletons at a molecular level to achieve unprecedented performance for mixed‐field radiation detection. High neutron absorption due to a high density of hydrogen, strong radiative recombination within the highly confined [PbX6]4− layer, and sub‐nanometer distance between absorption sites and radiative centers, enable a light yield of 41 000 photons/MeV, detection pulse width of 2.97 ns and extraordinary linearity response toward both fast neutrons and γ‐rays, outperforming commonly used fast‐neutron scintillators. Neutron energy spectrum, time‐of‐flight based fast‐neutron/γ‐ray discrimination and neutron yield monitoring were all successfully achieved using (C8H12N)2Pb(Br0.95Cl0.05)4 detectors. We further demonstrate the monitoring of reaction kinetics and total power of a nuclear fusion reaction. We envision that molecular hybridized scintillators open a new avenue for mixed‐field radiation detection and imaging.

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