bluuebunny/crossref_metadata_2025 huggingface dataset:
A Transdiagnostic, Modular Approach to Treating Pica in Young Girl
Authors: Moline Rachel , Thomassin Kristel , Hou Sharon
Published: March 2022

Objective:

Pica is the persistent consumption of nonnutritive, nonfood substances. Despite the multitude of adverse complications associated with this condition, there is no gold standard treatment for pica in youth. This case study offers the first empirical investigation into the implementation of an empirically supported modular, transdiagnostic treatment—the MATCH-ADTC: Modular Approach to Therapy for Children with Anxiety, Depression, Trauma, or Conduct Problems—to treat pica and behavior challenges in a 10-year-old, White girl with Triple X Syndrome, autism spectrum disorder, attention-deficit/hyperactivity disorder, and trauma history.

Method:

We describe our assessment, formulation, and application of the MATCH program to target pica and behavior problems. Pre- and posttreatment symptom ratings (Child Behavior Checklist; CBCL), weekly ratings of pica and behavior problems (Behavior Rating Scale), and client satisfaction with treatment (Client Satisfaction Questionnaire) were collected at pre-, post-, and 6-months after treatment.

Results:

After 26 sessions, clinically significant improvements were observed in the client’s pica and behavior problems from baseline to posttreatment. Score differences in parent report on the CBCL from pre- to posttreatment indicated decreased levels of symptoms in all subscales reported. Six-month follow-up showed that pica behaviors remained at near-zero rates, and improvements in child behavior were sustained.

Conclusions:

This case study offers preliminary support for the use of MATCH, a modular, transdiagnostic treatment for treating pica and comorbidities in youth. A detailed treatment approach for clinician use is provided.

Implications for Impact Statement

This case study offers the first empirical support for a modular and transdiagnostic treatment to treat youth pica and comorbidities. The Modular Approach to Therapy for Children (MATCH) treatment offers a comprehensive program that clinicians can use to tailor treatment. We offer clinicians a treatment plan for youth pica and emphasize the importance of parent involvement in youth treatment.
Origami-inspired folding assembly of dielectric elastomers for programmable soft robots
Authors: Sun Yanhua , Li Dengfeng , Wu Mengge , Yang Yale , Su Jingyou , Wong Tszhung , Xu Kangming , Li Ying , Li Lu , Yu Xinge , Yu Junsheng
Published: March 2022

Origami has become an optimal methodological choice for creating complex three-dimensional (3D) structures and soft robots. The simple and low-cost origami-inspired folding assembly provides a new method for developing 3D soft robots, which is ideal for future intelligent robotic systems. Here, we present a series of materials, structural designs, and fabrication methods for developing independent, electrically controlled origami 3D soft robots for walking and soft manipulators. The 3D soft robots are based on soft actuators, which are multilayer structures with a dielectric elastomer (DE) film as the deformation layer and a laser-cut PET film as the supporting flexible frame. The triangular and rectangular design of the soft actuators allows them to be easily assembled into crawling soft robots and pyramidal- and square-shaped 3D structures. The crawling robot exhibits very stable crawling behaviors and can carry loads while walking. Inspired by origami folding, the pyramidal and square-shaped 3D soft robots exhibit programmable out-of-plane deformations and easy switching between two-dimensional (2D) and 3D structures. The electrically controllable origami deformation allows the 3D soft robots to be used as soft manipulators for grasping and precisely locking 3D objects. This work proves that origami-inspired fold-based assembly of DE actuators is a good reference for the development of soft actuators and future intelligent multifunctional soft robots.
RBMS1 promotes gastric cancer metastasis through autocrine IL-6/JAK2/STAT3 signaling
Authors: Liu Mengyuan , Li Heming , Zhang Huijing , Zhou Huan , Jiao Taiwei , Feng Mingliang , Na Fangjian , Sun Mingjun , Zhao Mingfang , Xue Lei , Xu Lu
Published: March 2022

Metastasis is the most important reason for the poor prognosis of gastric cancer (GC) patients, and the mechanism urgently needs to be clarified. Here, we explored a prognostic model for the estimation of tumor-associated mortality in GC patients and revealed the RNA-binding protein RBMS1 as a candidate promoter gene for GC metastasis by analyzing GOBO and Oncomine high-throughput sequencing datasets for 408 GC patients. Additionally, RBMS1 was observed with overexpression in 85 GC patient clinical specimens by IHC staining and further be verified its role in GC metastasis via inducing EMT process both in in vitro and in vivo experiments. Moreover, we identified that IL-6 was predicted to be one of the most significant upstream cytokines in the RBMS1 overexpression gene set based on the Ingenuity Pathway Analysis (IPA) algorithm. Most importantly, we also revealed that RBMS1 could promote migration and invasion through IL6 transactivation and JAK2/STAT3 downstream signaling pathway activation by influencing histone modification in the promoter regions after binding with the transcription factor MYC in the HGC-27 and SGC-7901 GC cell lines. Hence, we shed light on the potential molecular mechanisms of RBMS1 in the promotion of GC metastasis, which suggests that RBMS1 may be a potential therapeutic target for GC patients.
The role of maternal age & birth order on the development of unilateral and bilateral retinoblastoma: a multicentre study
Authors: Lloyd Philippa , Westcott Mark , Kaliki Swathi , Ji Xunda , Zou Yihua , Rashid Riffat , Sultana Sadia , Sherief Sadik Taju , Cassoux Nathalie , Diaz Coronado Rosdali Yesenia , Garcia Leon Juan Luis , López Arturo Manuel Zapata , Polyakov Vladimir G. , Ushakova Tatiana L. , Roy Soma Rani , Ahmad Alia , Harby Lamis Al , Berry Jesse L. , Kim Jonathan , Polski Ashley , Astbury Nicholas J. , Bascaran Covadonga , Blum Sharon , Bowman Richard , Burton Matthew J. , Foster Allen , Gomel Nir , Keren-Froim Naama , Madgar Shiran , Stacey Andrew W. , Mohamed Ashik , Zondervan Marcia , Sagoo Mandeep S. , Fabian Ido Didi , Reddy M. Ashwin
Published: March 2022

Background/Objectives

Retinoblastoma is a common childhood intraocular malignancy, the bilateral form of which most commonly results from a de novo germline pathogenic variant in the RB1 gene. Both advanced maternal age and decreasing birth order are known to increase the risk of de novo germline pathogenic variants, while the influence of national wealth is understudied. This cohort study aimed to retrospectively observe whether these factors influence the ratio of bilateral retinoblastoma cases compared to unilateral retinoblastoma, thereby inferring an influence on the development of de novo germline pathogenic variants in RB1.

Subjects/Methods

Data from 688 patients from 11 centres in 10 countries were analysed using a series of statistical methods.

Results

No associations were found between advanced maternal age, birth order or GDP per capita and the ratio of bilateral to unilateral retinoblastoma cases (p values = 0.534, 0.201, 0.067, respectively), indicating that these factors do not contribute to the development of a de novo pathogenic variant.

Conclusions

Despite a lack of a definitive control group and genetic testing, this study demonstrates that advanced maternal age, birth order or GDP per capita do not influence the risk of developing a bilateral retinoblastoma.
Additional findings of tibial dysplasia in a male with orofaciodigital syndrome type XVI
Authors: Chinen Yasutsugu , Nakamura Sadao , Yanagi Kumiko , Kaneshi Takuya , Goya Hideki , Yoshida Tomohide , Satou Kazuhito , Kaname Tadashi , Naritomi Kenji , Nakanishi Koichi
Published: March 2022

We describe the case of a male patient with orofaciodigital (OFD) syndrome type XVI with a homozygous variant of TMEM107 (p.Phe106del) and the additional findings of tibial dysplasia, which is a pivotal finding of OFD syndrome type IV. His family history included two fetuses with anencephaly with or without cleft lip/palate and polydactyly with no genetic information. Careful attention should be given to the interpretation of this rare pattern.
Effects of cryo-EM cooling on structural ensembles
Authors: Bock Lars V. , Grubmüller Helmut
Published: March 2022

Structure determination by cryo electron microscopy (cryo-EM) provides information on structural heterogeneity and ensembles at atomic resolution. To obtain cryo-EM images of macromolecules, the samples are first rapidly cooled down to cryogenic temperatures. To what extent the structural ensemble is perturbed during cooling is currently unknown. Here, to quantify the effects of cooling, we combined continuum model calculations of the temperature drop, molecular dynamics simulations of a ribosome complex before and during cooling with kinetic models. Our results suggest that three effects markedly contribute to the narrowing of the structural ensembles: thermal contraction, reduced thermal motion within local potential wells, and the equilibration into lower free-energy conformations by overcoming separating free-energy barriers. During cooling, barrier heights below 10 kJ/mol were found to be overcome, which is expected to reduce B-factors in ensembles imaged by cryo-EM. Our approach now enables the quantification of the heterogeneity of room-temperature ensembles from cryo-EM structures.
On-surface synthesis of triangulene trimers via dehydration reaction
Authors: Cheng Suqin , Xue Zhijie , Li Can , Liu Yufeng , Xiang Longjun , Ke Youqi , Yan Kaking , Wang Shiyong , Yu Ping
Published: March 2022

Triangulene and its homologues are of considerable interest for molecular spintronics due to their high-spin ground states as well as the potential for constructing high spin frameworks. Realizing triangulene-based high-spin system on surface is challenging but of particular importance for understanding π-electron magnetism. Here, we report two approaches to generate triangulene trimers on Au(111) by using surface-assisted dehydration and alkyne trimerization, respectively. We find that the developed dehydration reaction shows much higher chemoselectivity thus resulting in significant promotion of product yield compared to that using alkyne trimerization approach, through cutting the side reaction path. Combined with spin-polarized density functional theory calculations, scanning tunneling spectroscopy measurements identify the septuple (S = 3) high-spin ground state and quantify the collective ferromagnetic interaction among three triangulene units. Our results demonstrate the approaches to fabricate high-quality triangulene-based high spin systems and understand their magnetic interactions, which are essential for realizing carbon-based spintronic devices.
Updating global urbanization projections under the Shared Socioeconomic Pathways
Authors: Chen Shiyin , Huang Qingxu , Muttarak Raya , Fang Jiayi , Liu Tao , He Chunyang , Liu Ziwen , Zhu Lei
Published: March 2022

Urbanization level is an important indicator of socioeconomic development, and projecting its dynamics is fundamental for studies related to global socioeconomic and climate change. This paper aims to update the projections of global urbanization from 2015 to 2100 under the Shared Socioeconomic Pathways by using the logistic fitting model and iteratively identifying reference countries. Based on historical urbanization level database from the World Urbanization Prospects, projected urbanization levels and uncertainties are provided for 204 countries and areas every five years. The 2010–2100 year-by-year projected urbanization levels and uncertainties based on the annual historical data from the World Bank (WB) for 188 of countries and areas are also provided. The projections based on the two datasets were compared and the latter were validated using the historical values of the WB for the years 2010–2018. The updated dataset of urbanization level is relevant for understanding future socioeconomic development, its implications for climate change and policy planning.
SINBAD, structural, experimental and clinical characterization of STAT inhibitors and their potential applications
Authors: Plens-Gałąska Martyna , Woźniak Tomasz , Wesoły Joanna , Bluyssen Hans A. R.
Published: March 2022

The abnormal activation of signal transducer and activator of transcription (STAT) protein family is recognized as cause or driving force behind multiple diseases progression. Therefore, searching for potential treatment strategy is pursued by multiple scientific groups. We consider that providing comprehensive, integrated and unified dataset for STAT inhibitory compounds may serve as important tool for other researchers. We developed SINBAD (STAT INhbitor Biology And Drug-ability) in response to our experience with inhibitory compound research, knowing that gathering detailed information is crucial for effective experiment design and also for finding potential solutions in case of obtaining inconclusive results. SINBAD is a curated database of STAT inhibitors which have been published and described in scientific articles providing prove of their inhibitory properties. It is a tool allowing easy analysis of experimental conditions and provides detailed information about known STAT inhibitory compounds.
High resolution optical mapping of cardiac electrophysiology in pre-clinical models
Authors: O’Shea Christopher , Winter James , Kabir S. Nashitha , O’Reilly Molly , Wells Simon P , Baines Olivia , Sommerfeld Laura C. , Correia Joao , Lei Ming , Kirchhof Paulus , Holmes Andrew P. , Fabritz Larissa , Rajpoot Kashif , Pavlovic Davor
Published: March 2022

Optical mapping of animal models is a widely used technique in pre-clinical cardiac research. It has several advantages over other methods, including higher spatial resolution, contactless recording and direct visualisation of action potentials and calcium transients. Optical mapping enables simultaneous study of action potential and calcium transient morphology, conduction dynamics, regional heterogeneity, restitution and arrhythmogenesis. In this dataset, we have optically mapped Langendorff perfused isolated whole hearts (mouse and guinea pig) and superfused isolated atria (mouse). Raw datasets (consisting of over 400 files) can be combined with open-source software for processing and analysis. We have generated a comprehensive post-processed dataset characterising the baseline cardiac electrophysiology in these widely used pre-clinical models. This dataset also provides reference information detailing the effect of heart rate, clinically used anti-arrhythmic drugs, ischaemia-reperfusion and sympathetic nervous stimulation on cardiac electrophysiology. The effects of these interventions can be studied in a global or regional manner, enabling new insights into the prevention and initiation of arrhythmia.
Identification of a novel gene signature in second-trimester amniotic fluid for the prediction of preterm birth
Authors: Kim Min-A , Lee Eun-Ju , Yang Wookyeom , Shin Ha-Yeon , Kim Young-Han , Kim Jae-Hoon
Published: March 2022

Preterm birth affects approximately 5% to 7% of live births worldwide and is the leading cause of neonatal morbidity and mortality. Amniotic fluid supernatant (AFS) contains abundant cell-free nucleic acids (cfNAs) that can provide genetic information associated with pregnancy complications. In the current study, cfNAs of AFS in the early second-trimester before the onset of symptoms of preterm birth were analyzed, and we compared gene expression levels between spontaneous preterm birth (n = 5) and term birth (n = 5) groups using sequencing analysis. Differential expression analyses detected 24 genes with increased and 6 genes with decreased expression in the preterm birth group compared to term birth. Upregulated expressions of RDH14, ZNF572, VOPP1, SERPINA12, and TCF15 were validated in an extended AFS sample by quantitative PCR (preterm birth group, n = 21; term birth group, n = 40). Five candidate genes displayed a significant increase in mRNA expression in immortalized trophoblast HTR-8/SVneo cell with H2O2 treatment. Moreover, the expression of five candidate genes was increased to more than twofold by pretreatment with lipopolysaccharide in HTR-8/SVneo cells. Changes in gene expression between preterm birth and term birth is strongly correlated with oxidative stress and infection during pregnancy. Specific expression patterns of genes could be used as potential markers for the early identification of women at risk of having a spontaneous preterm birth.
Exercise suppresses tumor growth independent of high fat food intake and associated immune dysfunction
Authors: Hojman Pernille , Stagaard Rikke , Adachi-Fernandez Emi , Deshmukh Atul S. , Mund Andreas , Olsen Caroline H. , Keller Lena , Pedersen Bente K. , Gehl Julie
Published: March 2022

Epidemiological data suggest that exercise training protects from cancer independent of BMI. Here, we aimed to elucidate mechanisms involved in voluntary wheel running-dependent control of tumor growth across chow and high-fat diets. Access to running wheels decreased tumor growth in B16F10 tumor-bearing on chow (− 50%) or high-fat diets (− 75%, p < 0.001), however, tumor growth was augmented in high-fat fed mice (+ 53%, p < 0.001). Tumor growth correlated with serum glucose (p < 0.01), leptin (p < 0.01), and ghrelin levels (p < 0.01), but not with serum insulin levels. Voluntary wheel running increased immune recognition of tumors as determined by microarray analysis and gene expression analysis of markers of macrophages, NK and T cells, but the induction of markers of macrophages and NK cells was attenuated with high-fat feeding. Moreover, we found that the regulator of innate immunity, ZBP1, was induced by wheel running, attenuated by high-fat feeding and associated with innate immune recognition in the B16F10 tumors. We observed no effects of ZBP1 on cell cycle arrest, or exercise-regulated necrosis in the tumors of running mice. Taken together, our data support epidemiological findings showing that exercise suppresses tumor growth independent of BMI, however, our data suggest that high-fat feeding attenuates exercise-mediated immune recognition of tumors.
Molecular evidence for natural hybridization between Rumex crispus and R. obtusifolius (Polygonaceae) in Korea
Authors: Bhandari Gauri Shankar , Park Chong-Wook
Published: March 2022

Interspecific hybridization has been suggested to occur frequently inRumex(Polygonaceae). Several hypothesized combinations of parental species of hybrids based on their intermediate morphology have been suggested in the genus, but few of them have been phylogenetically tested. We analyzed nuclear and chloroplast DNA sequence data of a putative natural hybrid betweenRumex crispusandRumex obtusifoliusfrom Korea to confirm its hybrid status and to determine the maternal parent. Analysis of the nuclear DNApgiCregion revealed thatR. crispusandR. obtusifoliushave contributed to the nuclear genome of the putative hybrids. The haplotype distribution pattern inferred from the combined sequence data set of five chloroplast DNA regions (matK, rbcL-accDIGS, trnK-rps16IGS, ycf6-psbMIGS andpsbA-trnHIGS) indicated bidirectional hybridization events betweenR. crispusandR. obtusifolius. This paper provides the first molecular evidence for interspecific hybridization betweenR. crispusandR. obtusifolius. In addition, our findings strongly suggested that Korean populations ofRumex japonicushave a hybrid origin, andR. crispusmay represent one of the parental taxa.
Collateral responses to classical cytotoxic chemotherapies are heterogeneous and sensitivities are sparse
Authors: Dalin Simona , Grauman-Boss Beatrice , Lauffenburger Douglas A. , Hemann Michael T.
Published: March 2022

Chemotherapy resistance is a major obstacle to curing cancer patients. Combination drug regimens have shown promise as a method to overcome resistance; however, to date only some cancers have been cured with this method. Collateral sensitivity—the phenomenon whereby resistance to one drug is co-occurrent with sensitivity to a second drug—has been gaining traction as a promising new concept to guide rational design of combination regimens. Here we evolved over 100 subclones of the Eµ-Myc; p19ARF−/− cell line to be resistant to one of four classical chemotherapy agents: doxorubicin, vincristine, paclitaxel, and cisplatin. We then surveyed collateral responses to acquisition of resistance to these agents. Although numerous collateral sensitivities have been documented for antibiotics and targeted cancer therapies, we observed only one collateral sensitivity: half of cell lines that acquired resistance to paclitaxel also acquired a collateral sensitivity to verapamil. However, we found that the mechanism of this collateral sensitivity was unrelated to the mechanism of paclitaxel resistance. Interestingly, we observed heterogeneity in the phenotypic response to acquisition of resistance to most of the drugs we tested, most notably for paclitaxel, suggesting the existence of multiple different states of resistance. Surprisingly, this phenotypic heterogeneity in paclitaxel resistant cell lines was unrelated to transcriptomic heterogeneity among those cell lines. These features of phenotypic and transcriptomic heterogeneity must be taken into account in future studies of treated tumor subclones and in design of chemotherapy combinations.
A mathematical-adapted model to analyze the characteristics for the mortality of COVID-19
Authors: Hao Baobing , Liu Chengyou , Wang Yuhe , Zhu Ninjun , Ding Yong , Wu Jing , Wang Yu , Sun Fang , Chen Lixun
Published: March 2022

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) emerged in Wuhan, China, has led to the rapid development of Coronavirus disease 2019 (COVID-19) pandemic. COVID-19 represents a fatal disease with a great global public health importance. This study aims to develop a three-parameter Weibull mathematical model using continuous functions to represent discrete COVID-19 data. Subsequently, the model was applied to quantitatively analyze the characteristics for the mortality of COVID-19, including the age, sex, the length of symptom time to hospitalization time (SH), hospitalization date to death time (HD) and symptom time to death time time (SD) and others. A three-parameter mathematical model was developed by combining the reported cases in the Data Repository from the Center for Systems Science and Engineering at Johns Hopkins University and applied to estimate and analyze the characteristics for mortality of COVID-19. We found that the scale parameters of males and females were 5.85 and 5.45, respectively. Probability density functions in both males and females were negative skewness. 5% of male patients died under the age of 43.28 (44.37 for females), 50% died under 69.55 (73.25 for females), and 95% died under 86.59 (92.78 for females). The peak age of male death was 67.45 years, while that of female death was 71.10 years. The peak and median values of SH, HD and SD in male death were correspondingly 1.17, 5.18 and 10.30 days, and 4.29, 11.36 and 16.33 days, while those in female death were 1.19, 5.80 and 12.08 days, and 4.60, 12.44 and 17.67 days, respectively. The peak age of probability density in male and female deaths was 69.55 and 73.25 years, while the high point age of their mortality risk was 77.51 and 81.73 years, respectively. The mathematical model can fit and simulate the impact of various factors on IFR. From the simulation results of the model, we can intuitively find the IFR, peak age, average age and other information of each age. In terms of time factors, the mortality rate of the most susceptible population is not the highest, and the distribution of male patients is different from the distribution of females. This means that Self-protection and self-recovery in females against SARS-CoV-2 virus might be better than those of males. Males were more likely to be infected, more likely to be admitted to the ICU and more likely to die of COVID-19. Moreover, the infection fatality ration (IFR) of COVID-19 population was intrinsically linked to the infection age. Public health measures to protect vulnerable sex and age groups might be a simple and effective way to reduce IFR.
Sedimentary and diagenetic characteristics of the Z21 field in the Huizhou depression, Pearl River Mouth basin, South China Sea
Authors: Liu Longlong , Dong Hongzhi , Wu Yinjiao , Fan Ronghua , Sun Zhongqiang , Huang Rihui , Zhang Jinliang
Published: March 2022

The Huizhou Depression in the Pearl River Mouth basin has prospective hydrocarbon potential, with Miocene sandstones as its main oil and gas-bearing reservoir. The sandstones in Miocene formation of the Z21 offshore oil–gas field composed of medium-grained, moderately sorted subarkose and lithic arkose. In this study, a total of six depositional lithofacies, namely Massive fine- to medium-grained sandstone (Sm), ripple cross-laminated fine-grained sandstone (Sr), parallel-laminated siltstone and claystone (Fl), lenticular siltstone (Sl), parallel-bedded fine-grained sandstone (Sp), wavy laminated siltstone (Sw), and two depositional systems, namely nearshore sand bar (SB) and sand sheet (SS) were identified based on core observations and seismic study. Distributions of the porosity (13.9%) and permeability (35.8 mD) reveal that the Miocene sandstones have characteristics of low porosity and low permeability, with high heterogeneity. The sedimentary system, primary texture and diagenesis jointly control the reservoir quality. Sandstones with sand bars as well coarse-grained tend to exhibit a higher quality. Mechanical compaction and calcite (average 6.81%) cementation are the major determinants to reductions in porosity and permeability. The total clay minerals (average 5.27%) generally lead to reduction of porosity, whereas chlorite coatings and illite within a certain content range may enhance the preservation of porosity in eodiagenesis. Dissolution of feldspar and debris contribute significantly to improving the reservoir quality.
BMP1 is not required for lung fibrosis in mice
Authors: Ma Hsiao-Yen , N’Diaye Elsa-Noah , Caplazi Patrick , Huang Zhiyu , Arlantico Alexander , Jeet Surinder , Wong Aaron , Brightbill Hans D. , Li Qingling , Wong Weng Ruth , Sandoval Wendy , Tam Lucinda , Newman Robert , Roose-Girma Merone , Ding Ning
Published: March 2022

Bone morphogenetic protein 1 (BMP1) belongs to the astacin/BMP1/tolloid-like family of zinc metalloproteinases, which play a fundamental role in the development and formation of extracellular matrix (ECM). BMP1 mediates the cleavage of carboxyl terminal (C-term) propeptides from procollagens, a crucial step in fibrillar collagen fiber formation. Blocking BMP1 by small molecule or antibody inhibitors has been linked to anti-fibrotic activity in the preclinical models of skin, kidney and liver fibrosis. Therefore, we reason that BMP1 may be important for the pathogenesis of lung fibrosis and BMP1 could be a potential therapeutic target for progressive fibrotic disease such as idiopathic pulmonary fibrosis (IPF). Here, we observed the increased expression of BMP1 in both human IPF lungs and mouse fibrotic lungs induced by bleomycin. Furthermore, we developed an inducible Bmp1 conditional knockout (cKO) mouse strain. We found that Bmp1 deletion does not protect mice from lung fibrosis triggered by bleomycin. Moreover, we found no significant impact of BMP1 deficiency upon C-term propeptide of type I procollagen (CICP) production in the fibrotic mouse lungs. Based on these results, we propose that BMP1 is not required for lung fibrosis in mice and BMP1 may not be considered a candidate therapeutic target for IPF.
Unreported catches, impact of whaling and current status of blue whales in the South European Atlantic Shelf
Authors: Aguilar Alex , Borrell Asunción
Published: March 2022

The North Atlantic blue whale was depleted by modern whaling and it is still considered to be highly endangered. Despite its protection in 1954, catches continued in the South European Atlantic Shelf (SEAS) region and immediately adjacent waters until 1979. We compiled catches and investigate abundance trends in the region using original data from whaling (1921–1985) and scientific surveys around the last years of exploitation (1981–1987). The struck and lost rate was estimated at 3.2% for sperm whales and 2.3% for baleen whales. The compiled records include 60 catches, with an additional 1–2 blue whales likely struck and lost. From these, 29 individuals had been correctly reported as blue whales but 31 were mislabelled as fin whales. After correcting for loss rates, the number of blue whales killed in the region was estimated at 61 in 55 years (1.12 individuals/year). The data from the 1950s shows some oversized fin whales but it is unclear whether they are due to an incorrect reporting of species or to incorrect measurements, so it cannot be discarded that the actual number of blue whales caught was slightly higher than estimated. Mean body length of reported blue whales was lower than in higher latitudes of the North Atlantic, probably reflecting geographical stratification with higher proportion of immatures in the SEAS. The ratio between catches or sightings of blue whales and those of fin whales was 5.9% in the southern part of the SEAS previous to exploitation, it declined to 0.02–0.18% in the 1920s, and increased thereafter up to 1.6% in the 1980–1990s. Taking as reference the population size of fin whales in the SEAS, that of blue whales at the end of the 1980s can be guessed to be at ca337-497 individuals. Considering accepted population estimates in other areas as well as the observed rates of increase, current abundance is thought to be over a thousand whales in the SEAs and at in the order of 4000–5000 individuals for the whole eastern North Atlantic basin.
A simple fluorescent strategy for liver capillary labeling with carbon quantum dot-lectin nanoprobe
Authors: An Chang-Zhi , Li Chao-Qing , Song Lai-Bo , He Yan-Fei , Chen Wei , Liu Bo , Zhao Yuan-Di
Published: March 2022

Based on lycopersicon esculentum lectin that can target vascular endothelial cells and carbon quantum dots, we designed a carbon-based probe for the fluorescence labeling and imaging of hepatic blood vessels of liver tissue sections.
Adsorption and solidification of cadmium by calcium sulfate dihydrate (gypsum) in an aqueous environment: a dispersion-corrected DFT and ab initio molecular dynamics study
Authors: Baolin Ke , Qin Zhang , Xianhai Li , Zhihui Shen
Published: March 2022

The effect of different vacancy defects on the adsorption and solidification of Cd on gypsum was studied. The results show that increasing Ca vacancy defects in gypsum can improve the adsorption and curing properties of gypsum for cadmium.
Ultralow work function of the electride Sr3CrN3
Authors: Wang Cuicui , Xu Miaoting , Butler Keith T. , Burton Lee A.
Published: March 2022

Electrides have valence electrons that occupy free space in the crystal structure, making them easier to extract.
Metallosupramolecular cages: from design principles and characterisation techniques to applications
Authors: McConnell Anna J.
Published: March 2022

This Tutorial Review discusses the principles and techniques behind the design, characterisation and applications of metallosupramolecular cages.
Dimeric iodine(i) and silver(i) cages from tripodal N-donor ligands via the [N–Ag–N]+ to [N–I–N]+ cation exchange reaction
Authors: Taipale Essi , Ward Jas S. , Fiorini Giorgia , Stares Daniel L. , Schalley Christoph A. , Rissanen Kari
Published: March 2022

Complexation of tripodal ligands with silver(I) salts generated M3L2 cage complexes that encapsulated anions within their cavities. Subsequent [N–Ag–N]+ to [N–I–N]+ cation exchange with I2 resulted in the corresponding halogen-bonded iodine(I) cages.
Interpretation of Mott–Schottky plots of photoanodes for water splitting
Authors: Ravishankar Sandheep , Bisquert Juan , Kirchartz Thomas
Published: March 2022

Electron injection from the contact dominates the Mott–Schottky plots of thin-film photoanodes, rather than the depletion capacitance.
Strain enhancement due to oxygen vacancies in perovskite oxide films
Authors: Tyunina M. , Levoska J. , Pacherova O. , Kocourek T. , Dejneka A.
Published: March 2022

Misfit-induced crystallographic alignment of elastic dipoles of oxygen vacancies enhances anisotropic lattice strain beyond the misfit magnitude and raises inhomogeneous strain in epitaxial perovskite oxide films.
A bright chemiluminescence conjugated polymer–mesoporous silica nanoprobe for imaging of colonic tumors in vivo
Authors: Li Yukun , Zhu Beibei , Han Wanying , Tang Wei , Duan Xinrui
Published: March 2022

A chemiluminescence (CL) conjugated polymer–mesoporous silica nanoprobe with significant improvement of CL quantum yield obtained from direct oxidation of a conjugated polymer and its application for in vivo imaging of colonic tumors.
Biomimetic peptide nanoparticles participate in natural coagulation for hemostasis and wound healing
Authors: Xu Huan-Ge , Liang Qi-Lin , Li Litao , Qi Gao-Feng , Wang Lei , Zhan Li-Ning , Ding Meng-Ru , Zhang Kuo , Cui Xu
Published: March 2022

C6KL NPs and C6KG NPs enhanced coagulation by in situ mimicking and participating in the natural coagulation process.
Computational prediction of heteromeric protein complex disassembly order using hybrid Monte Carlo/molecular dynamics simulation
Authors: Kurisaki Ikuo , Tanaka Shigenori
Published: March 2022

By employing hybrid Monte Carlo/molecular dynamics simulations, we succeeded to observe the disassembly of protein complexes as mass spectroscopy experiments do. The weighted reaction selection scheme is the key technique for reliable prediction.
Decoding hexanitrobenzene (HNB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as two distinctive energetic nitrobenzene compounds by machine learning
Authors: Wang Rong , Liu Jian , He Xudong , Xie Weiyu , Zhang Chaoyang
Published: March 2022

Hexanitrobenzene (HNB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as two distinctive energetic nitrobenzene compounds are encoded by machine learning.
Sensitive detection of quorum signaling molecules (N-acyl homoserine lactones) in activated sludge based on surface molecularly imprinted polymers on CQDs@MIL-101
Authors: Fu Boming , Xing Yifei , Gong Changbao , Zhao Huimin
Published: March 2022

A CQDs@MIL-101@MIPs fluorescent probe composite was facilely fabricated for the rapid detection of N-acyl homoserine lactones (AHLs) with high sensitivity and selectivity.
The unimolecular decomposition of dimethoxymethane: channel switching as a function of temperature and pressure
Authors: Pazdera Tobias M. , Wenz Johannes , Olzmann Matthias
Published: March 2022

The channel branching between the unimolecular decomposition steps of dimethoxymethane is analyzed with a multichannel master equation.
Atom-economic synthesis of β-ketosulfones based on gold-catalyzed highly regioselective hydration of alkynylsulfones
Authors: Chikunova Elena I. , Kukushkin Vadim Yu. , Dubovtsev Alexey Yu.
Published: March 2022

Gold(i)-catalyzed highly regioselective hydration of alkynylsulfones comprises an efficient 100% atom-economic route to β-ketosulfones.
Elemental phosphorus for recent sustainable processes: rules and strategies in preparation and applications
Authors: Duan Yingnan , Li Ruru , Liu Qiuya , Shen Zhurui
Published: March 2022

This review has summarized the recent advances about rules and strategies in the preparation and applications of crystalline elemental phosphorus in several highly concerned sustainable processes.
Construction of a drug-containing microenvironment for in situ bone regeneration
Authors: Wu Zhen , Zhong Zhou , He Wenchao , Wu Yanmei , Cai Yuyan , Yang Huilin , Hong Youliang
Published: March 2022

Bioactive glass-coated hierarchical porous tricalcium phosphate ceramics were constructed as both bone scaffolds and drug delivery devices to treat S. aureus-infected bone defects.
Engineered liver tissue in vitro to mimic liver functions and its biomedical applications
Authors: Yang Wenguang , Wang Xiaowen , Wang Zhen
Published: March 2022

This review outlines and discusses the structure of the liver, the function of liver cells, several methods of liver tissue culture in vitro, and applications of liver tissue culture in vitro.
Fe-CoP/C composite nanoplate derived from 2D porphyrin MOF as an efficient catalyst for oxygen evolution reaction
Authors: Du Ying-Xia , Liu Lian , Li Yong-Ke , Liu Rui , Lu Wang-Ting , Wang Ji-Xiang , Zhang Geng , Cao Fei-Fei
Published: March 2022

The 2D Fe-CoP/C composite transformed from 2D PPF-5-Fe/Co MOF presents a high activity for the oxygen evolution reaction in alkaline media.
Theoretical investigation of the structures, stabilities, and vibrational and rotational spectroscopic parameters of linear HOMgNC and HMgNCO molecules by density functional theory and coupled-cluster method
Authors: Bai Jie , Yu Hai-Tao
Published: March 2022

Linear HOMgNC and HMgNCO molecules: two appropriate candidates for interstellar observation and experimental preparation.
Computational mechanism investigation of Bi(i)/Bi(iii) redox-catalyzed hydrodefluorination (HDF) of polyfluoroarenes
Authors: Jia Feiyun , Luo Jiewei , Zhang Bo
Published: March 2022

DFT calculations reveal details of the redox catalytic mechanism of non-transition-metal bismuth.
Design, synthesis, and antiproliferative evaluation of novel longifolene-derived tetraline pyrimidine derivatives with fluorescence properties
Authors: Li Qing-Min , Lin Gui-Shan , Duan Wen-Gui , Cui Yu-Cheng , Li Fang-Yao , Lei Fu-Hou , Li Dian-Peng
Published: March 2022

In the search for novel compounds with both survivin inhibitory activity and fluorescence properties, 18 novel longifolene-derived tetralin pyrimidine compounds were designed using survivin as the target and synthesized from the sustainable natural resource longifolene.
Utility of green chemistry for native spectrofluorimetric quantification of darolutamide as a modern anti-neoplastic drug in its market form and biological fluids
Authors: Salem Hesham , Abdelaziz Amany , Mekawy Mai R. , Mahmoud Mohamed M. , Wissa Kerolos , Fisal Doaa , Abdelmajed Mahmoud A.
Published: March 2022

A simple, new, green, and sensitive approach was established and validated for assay of the recently approved antineoplastic medication; darolutamide (DAR) in its authentic form, pharmaceutical formulation, and biological fluids fluorimetrically.
Engineering E. coli to synthesize butanol
Authors: Abdelaal Ali Samy , Yazdani Syed Shams
Published: March 2022

Biobutanol is gaining much attention as a potential biofuel due to its superior properties over ethanol. Butanol has been naturally produced via acetone-butanol-ethanol (ABE) fermentation by many Clostridium species, which are not very user-friendly bacteria. Therefore, to improve butanol titers and yield, various butanol synthesis pathways have been engineered in Escherichia coli, a much more robust and convenient host than Clostridium species. This review mainly focuses on the biosynthesis of n-butanol in engineered E. coli with an emphasis on efficient enzymes for butanol production in E. coli, butanol competing pathways, and genome engineering of E. coli for butanol production. In addition, the use of alternate strategies for butanol biosynthesis/enhancement, alternate substrates for the low cost of butanol production, and genetic improvement for butanol tolerance in E. coli have also been discussed.
Modified average‐value model for high‐performance fault transient simulation of AC‐DC hybrid power networks
Authors: Hong Zeqi , Xu Yin , He Jinghan , Zhang Dahai
Published: March 2022

Due to the complicated transients and the possibility of transition from a minor fault in AC subsystems to a severe blocking event of a high‐voltage direct–current (HVDC) transmission line, the study of AC‐DC hybrid power systems requires both efficient and accurate electromagnetic transient (EMT) simulation. However, the computational efficiency of such simulations is restrained by the switching events when detailed models of line‐commutated converters (LCCs) are used. Recently the average‐value modelling technique has been developed for accelerating the simulation while still accurately capturing the transient characteristics of line‐commutated AC–DC converters. This study presents the application of the average‐value model in the modelling of the LCC‐HVDC system and gives a further discussion about the deficiency of the model. A modified interface and the corresponding soft‐switching technique are proposed for enhancing the simulation performance of the LCC‐HVDC model in the transition between normal and faulty operation. The model is tested on a series of LCC‐based systems including a hybrid power system with four LCC‐HVDC lines to verify its efficiency and accuracy. The results indicate that the developed model can accurately predict the transients of the system both in symmetrical and asymmetrical operation while being computationally efficient.
Thep-process in exploding rotating massive stars
Authors: Choplin A. , Goriely S. , Hirschi R. , Tominaga N. , Meynet G.
Published: March 2022

Context.Thep-process nucleosynthesis can explain proton-rich isotopes that are heavier than iron, which are observed in the Solar System, but discrepancies still persist (e.g. for the Mo and Rup-isotopes), and some important questions concerning the astrophysical site(s) of thep-process remain unanswered.

Aims.We investigate how thep-process operates in exploding rotating massive stars that have experienced an enhanceds-process nucleosynthesis during their life through rotational mixing.

Methods.With the Geneva stellar evolution code, we computed 25M⊙stellar models at a metallicity ofZ = 10−3with different initial rotation velocities and rates for the still largely uncertain17O(α,γ)21Ne reaction. The nucleosynthesis calculation, followed with a network of 737 isotopes, was coupled to stellar evolution, and thep-process nucleosynthesis was calculated in post-processing during both the final evolutionary stages and spherical explosions of various energies. The explosions were modelled with a relativistic hydrodynamical code.

Results.In our models, thep-nuclides are mainly synthesized during the explosion, but not much during the ultimate hydrostatic burning stages. Thep-process yields mostly depend on the initial number of trans-iron seeds, which in turn depend on the initial rotation rate. We found that the impact of rotation on thep-process is comparable to the impact of rotation on thes-process. From no to fast rotation, thes-process yields of nuclides with mass numberA <  140 increase by 3−4 dex, and so do thep-process yields. Fast rotation with a lower17O(α, γ) rate significantly producess- andp-nuclides withA ≥ 140. The dependence of thep-process yields on the explosion energy is very weak.

Conclusions.Our results suggest that the contribution of core-collapse supernovae from massive stars to the solar (and Galactic)p-nuclei has been underestimated in the past, and more specifically, that the contribution from massive stars with sub-solar metallicities may even dominate. A more detailed study including stellar models with a wide range of masses and metallicities remains to be performed, together with a quantitative analysis that is based on the chemical evolution of the Galaxy.
Continuous feedback stabilization of nonlinear control systems by composition operators
Authors: Christopherson Bryce A. , Mordukhovich Boris S. , Jafari Farhad
Published: March 2022

The ability to asymptotically stabilize control systems through the use of continuous feedbacks is an important topic of control theory and applications. In this paper, we provide a complete characterization of continuous feedback stabilizability using a new approach that does not involve control Lyapunov functions. To do so, we first develop a slight generalization of feedback stabilization using composition operators and characterize continuous stabilizability in this expanded setting. Employing the obtained characterizations in the more general context, we establish relationships between continuous stabiliza|bility in the conventional sense and in the generalized composition operator sense. This connection allows us to show that the continuousstabilizabilityof a control system is equivalent to thestabilityof an associated system formed from a local section of the vector field inducing the control system. That is, we reduce the question of continuous stabilizability to that ofstability. Moreover, we provide a universal formula describing all possible continuous stabilizing feedbacks for a given system.
A mathematical justification for metronomic chemotherapy in oncology
Authors: Fernández Luis A. , Pola Cecilia , Sáinz-Pardo Judith
Published: March 2022

We mathematically justify metronomic chemotherapy as the best strategy to apply many cytotoxic drugs in oncology for both curative and palliative approaches, assuming the classical pharmacokinetic model together with the Emax pharmacodynamic and the Norton-Simon hypothesis. From the mathematical point of view, we will consider two mixed-integer nonlinear optimization problems, where the unknowns are the number of the doses and the quantity of each one, adjusting the administration times a posteriori.
Catalytic Oxidations with ortho-Substituted Modified IBXs
Authors: Parida Keshaba N. , Moorthy Jarugu Narasimha
Published: March 2022

o-Iodoxybenzoic acid (IBX) is an oxidation reagent that has surged into prominence in the last two decades. It is cost-effective, environmentally benign, and readily prepared from o-iodobenzoic acid. However, its insolubility in common organic solvents and explosive attributes upon impact and heating are debilitating disadvantages. The development of modified IBXs (mIBXs) that exhibit improved solubility and enhanced reactivity, and obviate explosive attributes by judicious manipulation of the structure of IBX has been an incessant endeavor. In this account, common organic solvent-soluble mIBXs developed in our research group are collated with a discussion of the rationale underlying the design principles. Steric build-up around the iodoxolone moiety that is responsible for strong intermolecular interactions within the crystal lattice of IBX constitutes the key consideration in the design and development of modified λ5-iodanes that are reactive and sparingly soluble in common organic solvents. In situ generation of mIBXs from precursor iodo-acids in the presence of Oxone® permits their employment as organocatalysts for facile oxidative transformations. Reactive mIBXs generated in situ from precursor modified iodo-acids (mIAs, II) in the presence of Oxone® may offer unrivaled prospects for cost-effective oxidations. Applications of mIBXs, generated in situ or otherwise, for efficient oxidations are consolidated.

1 Introduction

2 Design and Synthesis of Modified IBXs and their Precursors Iodo-Acids

3 Catalytic Oxidations with Modified IBXs

3.1 Oxidation of Alcohols

3.2 Oxidation of 1,2-Diols

3.3 Conversion of Diols into Lactones

3.4 One-Pot Oxidative Cleavage of Olefins

3.5 One-Pot Transformation of Olefins into α-Bromo- and α-Azidoketones

4 Conclusions