bluuebunny/crossref_metadata_2025 huggingface dataset:
An RNA–RNA crosstalk network involving HMGB1 and RICTOR facilitates hepatocellular carcinoma tumorigenesis by promoting glutamine metabolism and impedes immunotherapy by PD-L1+ exosomes activity
Authors: Wei Yanping , Tang Xuewu , Ren Yibin , Yang Yun , Song Fengliang , Fu Jingbo , Liu Shuowu , Yu Miao , Chen Jing , Wang Suyang , Zhang Kecheng , Tan Yexiong , Han Zhipeng , Wei Lixin , Zhang Baohua , Cheng Zhangjun , Li Liang , Wang Hongyang
Published: December 2021

Hepatocellular carcinoma (HCC) is the global leading cause of cancer-related deaths due to the deficiency of targets for precision therapy. A new modality of epigenetic regulation has emerged involving RNA–RNA crosstalk networks where two or more competing endogenous RNAs (ceRNAs) bind to the same microRNAs. However, the contribution of such mechanisms in HCC has not been well studied. Herein, potential HMGB1-driven RNA–RNA crosstalk networks were evaluated at different HCC stages, identifying the mTORC2 component RICTOR as a potential HMGB1 ceRNA in HBV+ early stage HCC. Indeed, elevated HMGB1 mRNA was found to promote the expression of RICTOR mRNA through competitively binding with the miR-200 family, especially miR-429. Functional assays employing overexpression or interference strategies demonstrated that the HMGB1 and RICTOR 3′untranslated regions (UTR) epigenetically promoted the malignant proliferation, self-renewal, and tumorigenesis in HCC cells. Intriguingly, interference against HMGB1 and RICTOR in HCC cells promoted a stronger anti-PD-L1 immunotherapy response, which appeared to associate with the production of PD-L1+ exosomes. Mechanistically, the HMGB1-driven RNA-RNA crosstalk network facilitated HCC cell glutamine metabolism via dual mechanisms, activating a positive feedback loop involving mTORC2-AKT-C-MYC to upregulate glutamine synthetase (GS) expression, and inducing mTORC1 signaling to derepress SIRT4 on glutamate dehydrogenase (GDH). Meanwhile, this crosstalk network could impede the efficacy of immunotherapy through mTORC1-P70S6K dependent PD-L1 production and PD-L1+ exosomes activity. In conclusion, our study highlights the non-coding regulatory role of HMGB1 with implications for RNA-based therapeutic targeting together with a prediction of anti-PD-L1 immunotherapy in HCC.
Oral antibiotic use and early-onset colorectal cancer: findings from a case-control study using a national clinical database
Authors: McDowell Ronald , Perrott Sarah , Murchie Peter , Cardwell Christopher , Hughes Carmel , Samuel Leslie
Published: December 2021

Background

Antibiotic-induced gut dysbiosis has been associated with colorectal cancer (CRC) in older adults. This study will investigate whether an association exists between antibiotic usage and early-onset colorectal cancer (CRC), and also evaluate this in later-onset CRC for comparison.

Methods

A case-control study was conducted using primary care data from 1999–2011. Analysis were conducted separately in early-onset CRC cases (diagnosed < 50 years) and later-onset cases (diagnosed ≥ 50 years). Conditional logistic regression was used to calculate odds ratios and 95% confidence intervals (CI) for the associations between antibiotic exposure and CRC by tumour location, adjusting for comorbidities.

Results

Seven thousands nine hundred and three CRC cases (445 aged <50 years) and 30,418 controls were identified. Antibiotic consumption was associated with colon cancer in both age-groups, particularly in the early-onset CRC cohort (<50 years: adjusted Odds Ratio (ORadj) 1.49 (95% CI 1.07, 2.07),p = 0·018; ≥50 years (ORadj(95% CI) 1.09 (1.01, 1.18),p = 0·029). Antibiotics were not associated with rectal cancer (<50 years: ORadj(95% CI) 1.17 (0.75, 1.84),p = 0.493; ≥50 years: ORadj(95% CI) 1.07 (0.96, 1.19),p = 0.238).

Conclusion

Our findings suggest antibiotics may have a role in colon tumour formation across all age-groups.
Wet-dry-wet drug screen leads to the synthesis of TS1, a novel compound reversing lung fibrosis through inhibition of myofibroblast differentiation
Authors: Ring Nadja Anneliese Ruth , Volpe Maria Concetta , Stepišnik Tomaž , Mamolo Maria Grazia , Panov Panče , Kocev Dragi , Vodret Simone , Fortuna Sara , Calabretti Antonella , Rehman Michael , Colliva Andrea , Marchesan Pietro , Camparini Luca , Marcuzzo Thomas , Bussani Rossana , Scarabellotto Sara , Confalonieri Marco , Pham Tho X. , Ligresti Giovanni , Caporarello Nunzia , Loffredo Francesco S. , Zampieri Daniele , Džeroski Sašo , Zacchigna Serena
Published: December 2021

Therapies halting the progression of fibrosis are ineffective and limited. Activated myofibroblasts are emerging as important targets in the progression of fibrotic diseases. Previously, we performed a high-throughput screen on lung fibroblasts and subsequently demonstrated that the inhibition of myofibroblast activation is able to prevent lung fibrosis in bleomycin-treated mice. High-throughput screens are an ideal method of repurposing drugs, yet they contain an intrinsic limitation, which is the size of the library itself. Here, we exploited the data from our “wet” screen and used “dry” machine learning analysis to virtually screen millions of compounds, identifying novel anti-fibrotic hits which target myofibroblast differentiation, many of which were structurally related to dopamine. We synthesized and validated several compounds ex vivo (“wet”) and confirmed that both dopamine and its derivative TS1 are powerful inhibitors of myofibroblast activation. We further used RNAi-mediated knock-down and demonstrated that both molecules act through the dopamine receptor 3 and exert their anti-fibrotic effect by inhibiting the canonical transforming growth factor β pathway. Furthermore, molecular modelling confirmed the capability of TS1 to bind both human and mouse dopamine receptor 3. The anti-fibrotic effect on human cells was confirmed using primary fibroblasts from idiopathic pulmonary fibrosis patients. Finally, TS1 prevented and reversed disease progression in a murine model of lung fibrosis. Both our interdisciplinary approach and our novel compound TS1 are promising tools for understanding and combating lung fibrosis.
The role of RIPK1 mediated cell death in acute on chronic liver failure
Authors: Kondo Takayuki , Macdonald Stewart , Engelmann Cornelius , Habtesion Abeba , Macnaughtan Jane , Mehta Gautam , Mookerjee Rajeshwar P. , Davies Nathan , Pavesi Marco , Moreau Richard , Angeli Paolo , Arroyo Vicente , Andreola Fausto , Jalan Rajiv
Published: December 2021

Acute-on-chronic liver failure (ACLF) is characterized predominantly by non-apoptotic forms of hepatocyte cell death. Necroptosis is a form of programmed lytic cell death in which receptor interacting protein kinase (RIPK) 1, RIPK3 and phosphorylated mixed lineage kinase domain-like (pMLKL) are key components. This study was performed to determine the role of RIPK1 mediated cell death in ACLF. RIPK3 plasma levels and hepatic expression of RIPK1, RIPK3, and pMLKL were measured in healthy volunteers, stable patients with cirrhosis, and in hospitalized cirrhotic patients with acutely decompensated cirrhosis, with and without ACLF (AD). The role of necroptosis in ACLF was studied in two animal models of ACLF using inhibitors of RIPK1, necrostatin-1 (NEC-1) and SML2100 (RIPA56). Plasma RIPK3 levels predicted the risk of 28- and 90-day mortality (AUROC, 0.653 (95%CI 0.530–0.776), 0.696 (95%CI 0.593–0.799)] and also the progression of patients from no ACLF to ACLF [0.744 (95%CI 0.593–0.895)] and the results were validated in a 2nd patient cohort. This pattern was replicated in a rodent model of ACLF that was induced by administration of lipopolysaccharide (LPS) to bile-duct ligated rats and carbon tetrachloride-induced fibrosis mice administered galactosamine (CCL4/GalN). Suppression of caspase-8 activity in ACLF rodent model was observed suggesting a switch from caspase-dependent cell death to necroptosis. NEC-1 treatment prior to administration of LPS significantly reduced the severity of ACLF manifested by reduced liver, kidney, and brain injury mirrored by reduced hepatic and renal cell death. Similar hepato-protective effects were observed with RIPA56 in a murine model of ACLF induced by CCL4/GalN. These data demonstrate for the first time the importance of RIPK1 mediated cell death in human and rodent ACLF. Inhibition of RIPK1 is a potential novel therapeutic approach to prevent progression of susceptible patients from no ACLF to ACLF.
TCF4 and HuR mediated-METTL14 suppresses dissemination of colorectal cancer via N6-methyladenosine-dependent silencing of ARRDC4
Authors: Wang Hao , Wei Wei , Zhang Zhong-Yuan , Liu Yao , Shi Bin , Zhong Wen , Zhang Hou-Shun , Fang Xin , Sun Chun-Lei , Wang Jia-Bei , Liu Lian-Xin
Published: December 2021

Metastasis remains the major obstacle to improved survival for colorectal cancer (CRC) patients. Dysregulation of N6-methyladenosine (m6A) is causally associated with the development of metastasis through poorly understood mechanisms. Here, we report that METTL14, a key component of m6A methylation, is functionally related to the inhibition of ARRDC4/ZEB1 signaling and to the consequent suppression of CRC metastasis. We unveil METTL14-mediated m6A modification profile and identify ARRDC4 as a direct downstream target of METTL14. Knockdown of METTL14 significantly enhanced ARRDC4 mRNA stability relying on the “reader” protein YHTDF2 dependent manner. Moreover, we demonstrate that TCF4 can induce METTL14 protein expression, and HuR suppress METTL14 expression by directly binding to its promoter. Clinically, our results show that decreased METTL14 is correlated with poor prognosis and acts as an independent predictor of CRC survival. Collectively, our findings propose that METTL14 functions as a metastasis suppressor, and define a novel signaling axis of TCF4/HuR-METTL14-YHTDF2-ARRDC4-ZEB1 in CRC, which might be potential therapeutic targets for CRC.
A Japanese boy with double diagnoses of 2p15p16.1 microdeletion syndrome and RP2-associated retinal disorder
Authors: Yamazawa Kazuki , Shimizu Kenji , Ohashi Hirofumi , Haruna Hidenori , Inoue Satomi , Murakami Haruka , Matsunaga Tatsuo , Iwata Takeshi , Tsunoda Kazushige , Fujinami Kaoru
Published: December 2021

2p15p16.1 microdeletion syndrome is a recently recognized congenital disorder characterized by developmental delay and dysmorphic features. RP2-associated retinal disorder (RP2-RD) is an X-linked inherited retinal disease with a childhood onset caused by a loss-of-function variant in the RP2 gene. Here, we describe a 14-year-old boy with double diagnoses of 2p15p16.1 microdeletion syndrome and RP2-RD. The recurrence risk of each condition and the indication for potential therapeutic options for RP2-RD are discussed.
An intergenerational androgenic mechanism of female intrasexual competition in the cooperatively breeding meerkat
Authors: Drea Christine M. , Davies Charli S. , Greene Lydia K. , Mitchell Jessica , Blondel Dimitri V. , Shearer Caroline L. , Feldblum Joseph T. , Dimac-Stohl Kristin A. , Smyth-Kabay Kendra N. , Clutton-Brock Tim H.
Published: December 2021

Female intrasexual competition can be intense in cooperatively breeding species, with some dominant breeders (matriarchs) limiting reproduction in subordinates via aggression, eviction or infanticide. In males, such tendencies bidirectionally link to testosterone, but in females, there has been little systematic investigation of androgen-mediated behaviour within and across generations. In 22 clans of wild meerkats (Suricata suricatta), we show that matriarchs 1) express peak androgen concentrations during late gestation, 2) when displaying peak feeding competition, dominance behaviour, and evictions, and 3) relative to subordinates, produce offspring that are more aggressive in early development. Late-gestation antiandrogen treatment of matriarchs 4) specifically reduces dominance behaviour, is associated with infrequent evictions, decreases social centrality within the clan, 5) increases aggression in cohabiting subordinate dams, and 6) reduces offspring aggression. These effects implicate androgen-mediated aggression in the operation of female sexual selection, and intergenerational transmission of masculinised phenotypes in the evolution of meerkat cooperative breeding.
Heterocellular OSM-OSMR signalling reprograms fibroblasts to promote pancreatic cancer growth and metastasis
Authors: Lee Brian Y. , Hogg Elizabeth K. J. , Below Christopher R. , Kononov Alexander , Blanco-Gomez Adrian , Heider Felix , Xu Jingshu , Hutton Colin , Zhang Xiaohong , Scheidt Tamara , Beattie Kenneth , Lamarca Angela , McNamara Mairéad , Valle Juan W. , Jørgensen Claus
Published: December 2021

Pancreatic ductal adenocarcinoma (PDA) is a lethal malignancy with a complex microenvironment. Dichotomous tumour-promoting and -restrictive roles have been ascribed to the tumour microenvironment, however the effects of individual stromal subsets remain incompletely characterised. Here, we describe how heterocellular Oncostatin M (OSM) - Oncostatin M Receptor (OSMR) signalling reprograms fibroblasts, regulates tumour growth and metastasis. Macrophage-secreted OSM stimulates inflammatory gene expression in cancer-associated fibroblasts (CAFs), which in turn induce a pro-tumourigenic environment and engage tumour cell survival and migratory signalling pathways. Tumour cells implanted in Osm-deficient (Osm−/−) mice display an epithelial-dominated morphology, reduced tumour growth and do not metastasise. Moreover, the tumour microenvironment of Osm−/− animals exhibit increased abundance of α smooth muscle actin positive myofibroblasts and a shift in myeloid and T cell phenotypes, consistent with a more immunogenic environment. Taken together, these data demonstrate how OSM-OSMR signalling coordinates heterocellular interactions to drive a pro-tumourigenic environment in PDA.
Protein engineering strategies for rational immunogen design
Authors: Caradonna Timothy M. , Schmidt Aaron G.
Published: December 2021

Antibody immunodominance refers to the preferential and asymmetric elicitation of antibodies against specific epitopes on a complex protein antigen. Traditional vaccination approaches for rapidly evolving pathogens have had limited success in part because of this phenomenon, as elicited antibodies preferentially target highly variable regions of antigens, and thus do not confer long lasting protection. While antibodies targeting functionally conserved epitopes have the potential to be broadly protective, they often make up a minority of the overall repertoire. Here, we discuss recent protein engineering strategies used to favorably alter patterns of immunodominance, and selectively focus antibody responses toward broadly protective epitopes in the pursuit of next-generation vaccines for rapidly evolving pathogens.
Scalp hair sweating as a predictor of hair cortisol level in human compared to obesity and other confounders
Authors: Abdulateef Darya S.
Published: December 2021

Inconsistent results were found throughout the literature regarding factors affecting hair cortisol levels. Hair cortisol level in humans was not studied for its associations to scalp hair sweating or hair wash frequency in a patient-based way. Factors affecting hair cortisol levels must be precisely known in order to interpret the results correctly. The aims of the study are to assess if BMI, Perceived Stress Scale (PSS), hair wash frequency, and sweating with scalp hair affect hair cortisol levels. It will assess which of these factors are more significant predictors of hair cortisol levels. In a study on healthy adults, information about history, socio-demographics, PSS, hair wash frequency, hair treatment, and scalp hair sweating were collected, and hair samples were taken and analyzed for their hair cortisol level. Associations of hair cortisol levels with each of the variables were investigated and significant predictors of hair cortisol levels among the variables were found. Mean hair cortisol level in the study participants was 16.84 pg/mg hair. Hair cortisol has a significant positive association with weight, BMI, PSS, and scalp hair sweating, p < 0.05. Scalp hair sweating significantly predicts hair cortisol levels by 12.3%, while other variables did not significantly predict hair cortisol levels, p < 0.05. Scalp hair sweating significantly predicts hair cortisol levels. Age, hair wash frequency, hair treatment, and stressful events have no associations with hair cortisol levels. Although BMI and PSS are associated with hair cortisol levels, they do not significantly predict it. Obesity is significantly associated with profuse sweating, thus the increase in hair cortisol levels in obese individuals could partly be the result of a higher incidence of sweating in these individuals. Thus, scalp hair sweating should be taken into consideration during the study and interpretation of hair cortisol levels.
Functional random forests for curve response
Authors: Fu Guifang , Dai Xiaotian , Liang Yeheng
Published: December 2021

The rapid advancement of functional data in various application fields has increased the demand for advanced statistical approaches that can incorporate complex structures and nonlinear associations. In this article, we propose a novel functional random forests (FunFor) approach to model the functional data response that is densely and regularly measured, as an extension of the landmark work of Breiman, who introduced traditional random forests for a univariate response. The FunFor approach is able to predict curve responses for new observations and selects important variables from a large set of scalar predictors. The FunFor approach inherits the efficiency of the traditional random forest approach in detecting complex relationships, including nonlinear and high-order interactions. Additionally, it is a non-parametric approach without the imposition of parametric and distributional assumptions. Eight simulation settings and one real-data analysis consistently demonstrate the excellent performance of the FunFor approach in various scenarios. In particular, FunFor successfully ranks the true predictors as the most important variables, while achieving the most robust variable sections and the smallest prediction errors when comparing it with three other relevant approaches. Although motivated by a biological leaf shape data analysis, the proposed FunFor approach has great potential to be widely applied in various fields due to its minimal requirement on tuning parameters and its distribution-free and model-free nature. An R package named ’FunFor’, implementing the FunFor approach, is available at GitHub.
Degradation dynamics of quantum dots in white LED applications
Authors: Chen Hsiao-Chien , Shabir Abdul , Tan Cher Ming , Singh Preetpal , Lin Jia-Hung
Published: December 2021

Quantum Dots (QDs) are being investigated in a hybrid white light LED structure which inculcates phosphor in the package with a blue LED chip as the light source recently. In this work, Zn doped CdS QD with ZnS shell together with green light emission phosphor is used. Upon prolonged operation, degradation of the LEDs due to the degradation of QDs is observed, which can limit its practical applications. The degradation includes intensity reduction as well as blue shift of the emitted wavelength from the white light. Three stages of degradation are observed, namely an enhancement state where light intensity is found to increase, followed by a rapid degradation stage where light intensity decreases rapidly, and finally a slower degradation stage where the degradation rate of light intensity slows down and continues till the end of the test. Through various detail material analysis, with confirmation from the density functional theory (DFT) calculations, we find that the degradation of the LEDs is due to the time evolving degradation of CdS core structure, beginning from the oxidation of sulfur vacancy of CdS QDs by the nearby oxygen atoms as a result of imperfection of the ZnS protective coating around the QDs in the presence of blue light. This oxidation renders a transformation of CdS into CdO at the initial stage. The final stage is the formation of CdSO4 via some intermediate processes.
Synthesis of non-phosphorylated epoxidised corn oil as a novel green flame retardant thermoset resin
Authors: Cabo Maurelio , M. N. Prabhakar , Song Jung-il
Published: December 2021

This study aimed to produce a new potential flame retardant thermoset resin from epoxidised corn oil through a one-pot method using liquid inorganic catalysed with hydrogen peroxide. Using a gas chromatography–mass selective detector, attenuated total reflectance-fourier transform infrared spectroscopy, proton nuclear magnetic resonance imaging, optical microscopy, and scanning emission microscopy, we synthesised a bio-based resin based on newly designed parameters. The flame retardant capacity was fully established using thermogravimetric analysis and a micro calorimeter. The produced epoxidised corn oil had a relative percentage conversion of oxirane of approximately 91.70%, wherein the amount of double bonds converted into epoxides was calculated. A significant reduction from 17 to 40% in peak heat rate release (pHRR) and 26–30% in total heat release was observed, confirming its flame retardant property. Thus, the potential of epoxidised corn oil was demonstrated.
Dynamics of inter-farm transmission of highly pathogenic avian influenza H5N6 integrating vehicle movements and phylogenetic information
Authors: Yoo Dae-Sung , Chun Byung chul , Kim Younjung , Lee Kwang-Nyeong , Moon Oun-Kyoung
Published: December 2021

Highly pathogenic avian influenza (HPAI) in poultry holdings commonly spreads through animal trade, and poultry production and health-associated vehicle (PPHaV) movement. To effectively control the spread of disease, it is essential that the contact structure via those movements among farms is thoroughly explored. However, few attempts have been made to scrutinize PPHaV movement compared to poultry trade. Therefore, our study aimed to elucidate the role of PPHaV movement on HPAI transmission. We performed network analysis using PPHaV movement data based on a global positioning system, with phylogenetic information of the isolates during the 2016–2017 HPAI H5N6 epidemic in the Republic of Korea. Moreover, the contribution of PPHaV movement to the spread of HPAI was estimated by Bayesian modeling. The network analysis revealed that there was the relationship between phylogenetic clusters and the contact network via PPHaV movement. Furthermore, the similarity of farm poultry species and the shared integrators between inter-linked infected premises (IPs) were associated with ties within the same phylogenetic clusters. Additionally, PPHaV movement among phylogenetically clustered IPs was estimated to contribute to approximately 30% of HPAI H5N6 infections in IPs on average. This study provides insight into how HPAI spread via PPHaV movement and scientific basis for control strategies.
An atypical class of non-coding small RNAs is produced in rice leaves upon bacterial infection
Authors: Reshetnyak Ganna , Jacobs Jonathan M. , Auguy Florence , Sciallano Coline , Claude Lisa , Medina Clemence , Perez-Quintero Alvaro L. , Comte Aurore , Thomas Emilie , Bogdanove Adam , Koebnik Ralf , Szurek Boris , Dievart Anne , Brugidou Christophe , Lacombe Severine , Cunnac Sebastien
Published: December 2021

Non-coding small RNAs (sRNA) act as mediators of gene silencing and regulate plant growth, development and stress responses. Early insights into plant sRNAs established a role in antiviral defense and they are now extensively studied across plant–microbe interactions. Here, sRNA sequencing discovered a class of sRNA in rice (Oryza sativa) specifically associated with foliar diseases caused by Xanthomonas oryzae bacteria. Xanthomonas-induced small RNAs (xisRNAs) loci were distinctively upregulated in response to diverse virulent strains at an early stage of infection producing a single duplex of 20–22 nt sRNAs. xisRNAs production was dependent on the Type III secretion system, a major bacterial virulence factor for host colonization. xisRNA loci overlap with annotated transcripts sequences, with about half of them encoding protein kinase domain proteins. A number of the corresponding rice cis-genes have documented functions in immune signaling and xisRNA loci predominantly coincide with the coding sequence of a conserved kinase motif. xisRNAs exhibit features of small interfering RNAs and their biosynthesis depend on canonical components OsDCL1 and OsHEN1. xisRNA induction possibly mediates post-transcriptional gene silencing but they do not broadly suppress cis-genes expression on the basis of mRNA-seq data. Overall, our results identify a group of unusual sRNAs with a potential role in plant–microbe interactions.
Electrical response of retinal ganglion cells in an N-methyl-N-nitrosourea-induced retinal degeneration porcine model
Authors: Cha Seongkwang , Choi Kwang-Eon , Ahn Jungryul , Yoo Minsu , Jeong Yurim , Kim Seong-Woo , Goo Yong Sook
Published: December 2021

Retinal prosthesis is regarded as the treatment for vision restoration in the blind with retinal degeneration (RD) due to the loss of photoreceptors. A strategy for retinal prosthesis is to electrically activate surviving neurons. The retina’s response to electrical stimulation in a larger RD model has not been studied yet. Therefore, in this study, we investigated electrically evoked retinal responses in a previously validated N-methyl-N-nitrosourea (MNU)-induced porcine RD model. Electrically evoked responses were evaluated based on the number of retinal ganglion cell (RGC) spikes via multichannel recordings. Stimulation pulses were applied to degenerative and wild-type retinas with pulse modulation. Compared to wild-type retinas, degenerative retinas showed higher threshold values of pulse amplitude and pulse duration. The rate of increase in the number of RGC spikes relative to stimulus intensity was lower in degenerative retinas than in normal retinas. In severely degenerated retinas, few RGCs showed electrically evoked spikes. Our results suggest that the degenerative porcine retina requires a higher charge than the normal porcine retina. In the early stage of RD, it is easier to induce RGC spikes through electrical stimulation using retinal prosthesis; however, when the degeneration is severe, there may be difficulty recovering patient vision.
Hypoalbuminemia affects one third of acute pancreatitis patients and is independently associated with severity and mortality
Authors: Ocskay Klementina , Vinkó Zsófia , Németh Dávid , Szabó László , Bajor Judit , Gódi Szilárd , Sarlós Patrícia , Czakó László , Izbéki Ferenc , Hamvas József , Papp Mária , Varga Márta , Török Imola , Mickevicius Artautas , Sallinen Ville , Maldonado Elena Ramirez , Galeev Shamil , Mikó Alexandra , Erőss Bálint , Imrei Marcell , Hegyi Péter Jenő , Faluhelyi Nándor , Farkas Orsolya , Kanizsai Péter , Miseta Attila , Nagy Tamás , Hágendorn Roland , Márton Zsolt , Szakács Zsolt , Szentesi Andrea , Hegyi Péter , Párniczky Andrea
Published: December 2021

The incidence and medical costs of acute pancreatitis (AP) are on the rise, and severe cases still have a 30% mortality rate. We aimed to evaluate hypoalbuminemia as a risk factor and the prognostic value of human serum albumin in AP. Data from 2461 patients were extracted from the international, prospective, multicentre AP registry operated by the Hungarian Pancreatic Study Group. Data from patients with albumin measurement in the first 48 h (n = 1149) and anytime during hospitalization (n = 1272) were analysed. Multivariate binary logistic regression and Receiver Operator Characteristic curve analysis were used. The prevalence of hypoalbuminemia (< 35 g/L) was 19% on admission and 35.7% during hospitalization. Hypoalbuminemia dose-dependently increased the risk of severity, mortality, local complications and organ failure and is associated with longer hospital stay. The predictive value of hypoalbuminemia on admission was poor for severity and mortality. Severe hypoalbuminemia (< 25 g/L) represented an independent risk factor for severity (OR 48.761; CI 25.276–98.908) and mortality (OR 16.83; CI 8.32–35.13). Albumin loss during AP was strongly associated with severity (p < 0.001) and mortality (p = 0.002). Hypoalbuminemia represents an independent risk factor for severity and mortality in AP, and it shows a dose-dependent relationship with local complications, organ failure and length of stay.
Use of intravenous lipid emulsion therapy as a novel treatment for brevetoxicosis in sea turtles
Authors: Perrault Justin R. , Barron Heather W. , Malinowski Christopher R. , Milton Sarah L. , Manire Charles A.
Published: December 2021

The southwest coast of Florida experiences annual red tides, a type of harmful algal bloom that results from high concentrations of Karenia brevis. These dinoflagellates release lipophilic neurotoxins, known as brevetoxins, that bind to sodium channels and inhibit their inactivation, resulting in a variety of symptoms that can lead to mass sea turtle strandings. Traditional therapies for brevetoxicosis include standard and supportive care (SSC) and/or dehydration therapy; however, these treatments are slow-acting and often ineffective. Because red tide events occur annually in Florida, our objective was to test intravenous lipid emulsion (ILE) as a rapid treatment for brevetoxicosis in sea turtles and examine potential impacts on toxin clearance rates, symptom reduction, rehabilitation time, and survival rates. Sea turtles exhibiting neurological symptoms related to brevetoxicosis were brought to rehabilitation from 2018–2019. Upon admission, blood samples were collected, followed by immediate administration of 25 mg ILE/kg body mass (Intralipid® 20%) at 1 mL/min using infusion pumps. Blood samples were collected at numerous intervals post-ILE delivery and analyzed for brevetoxins using enzyme-linked immunosorbent assays. In total, nine (four subadults, one adult female, four adult males) loggerheads (Caretta caretta), five (four juvenile, one adult female) Kemp’s ridleys (Lepidochelys kempii), and four juvenile green turtles (Chelonia mydas) were included in this study. We found that plasma brevetoxins declined faster compared to turtles that received only SSC. Additionally, survival rate of these patients was 94% (17/18), which is significantly higher than previous studies that used SSC and/or dehydration therapy (47%; 46/99). Nearly all symptoms were eliminated within 24–48 h, whereas using SSC, symptom elimination could take up to seven days or more. The dosage given here (25 mg/kg) was sufficient for turtles in this study, but the use of a higher dosage (50–100 mg/kg) for those animals experiencing severe symptoms may be considered. These types of fast-acting treatment plans are necessary for rehabilitation facilities that are already resource-limited. Intravenous lipid emulsion therapy has the potential to reduce rehabilitation time, save resources, and increase survival of sea turtles and other marine animals experiencing brevetoxicosis.
Differences in femur geometry and bone markers in atypical femur fractures and the general population
Authors: Jung Ik Jae , Kim Ji Wan
Published: December 2021

This study aimed to identify differences in femur geometry between patients with subtrochanteric/shaft atypical femur fractures (AFFs) and the general population, and to evaluate the biomechanical factors related to femoral bowing in AFFs. We retrospectively reviewed 46 patients. Data on age, and history and duration of bisphosphonate use were evaluated. Femur computed tomography images were reconstructed into a 3D model, which was analyzed with a geometry analysis program to obtain the femur length, femur width and length, and femoral bowing. Patients were divided into two groups according to fracture location: the subtrochanteric and shaft AFF groups. We compared all parameters between groups, and also between each group and a general population of 300 women ≥ 60 years. Thirty-five patients had a history of bisphosphonate use (average duration, 6.1 years; range, 0.8–20 years). There was no statistical difference in bone turnover markers between the two groups. The shaft AFF group had a lower radius of curvature (ROC) (P = 0.001), lower bone mineral density (BMD,Tscore) (P = 0.020), and lower calcium (P = 0.016). However, other parameters and rate of bisphosphonate use were not significantly different. There were no significant differences in the parameters of the subtrochanter AFF group and the general population, but the shaft AFF group demonstrated a wider femur width (P < 0.001), longer anteroposterior length (P = 0.001), and lower ROC (P < 0.001) than the general population. Femoral bowing and width increased in shaft AFFs, but similar to subtrochanter AFFs compared to the general population. Our results highlight the biomechanical factors of femur geometry in AFFs.
Random sampling of the Protein Data Bank: RaSPDB
Authors: Carugo Oliviero
Published: December 2021

A novel and simple procedure (RaSPDB) for Protein Data Bank mining is described. 10 PDB subsets, each containing 7000 randomly selected protein chains, are built and used to make 10 estimations of the average value of a generic feature F—the length of the protein chain, the amino acid composition, the crystallographic resolution, and the secondary structure composition. These 10 estimations are then used to compute an average estimation of F together with its standard error. It is heuristically verified that the dimension of these 10 subsets—7000 protein chains—is sufficiently small to avoid redundancy within each subset and sufficiently large to guarantee stable estimations amongst different subsets. RaSPDB has two major advantages over classical procedures aimed to build a single, non-redundant PDB subset: a larger fraction of the information stored in the PDB is used and an estimation of the standard error of F is possible.
Selection of effective manufacturing conditions for directed energy deposition process using machine learning methods
Authors: Lim Jong-Sup , Oh Won-Jung , Lee Choon-Man , Kim Dong-Hyeon
Published: December 2021

In the directed energy deposition (DED) process, significant empirical testing is required to select the optimal process parameters. In this study, single-track experiments were conducted using laser power and scan speed as parameters in the DED process for titanium alloys. The results of the experiment confirmed that the deposited surface color appeared differently depending on the process parameters. Cross-sectional view, hardness, microstructure, and component analyses were performed according to the color data, and a color suitable for additive manufacturing was selected. Random forest (RF) and support vector machine multi-classification models were constructed by collecting surface color data from a titanium alloy deposited on a single track; the accuracies of the multi-classification models were compared. Validation experiments were performed under conditions that each model predicted differently. According to the results of the validation experiments, the RF multi-classification model was the most accurate.
Differential microbial responses to antibiotic treatments by insecticide-resistant and susceptible cockroach strains (Blattella germanica L.)
Authors: Wolfe Zachery M. , Scharf Michael E.
Published: December 2021

The German cockroach (Blattella germanica L.) is a major urban pest worldwide and is known for its ability to resist insecticides. Past research has shown that gut bacteria in other insects can metabolize xenobiotics, allowing the host to develop resistance. The research presented here determined differences in gut microbial composition between insecticide-resistant and susceptible German cockroaches and compared microbiome changes with antibiotic treatment. Cockroaches received either control diet or diet plus kanamycin (KAN) to quantify shifts in microbial composition. Additionally, both resistant and susceptible strains were challenged with diets containing the insecticides abamectin and fipronil in the presence and absence of antibiotic. In both strains, KAN treatment reduced feeding, leading to higher doses of abamectin and fipronil being tolerated. However, LC50 resistance ratios between resistant and susceptible strains decreased by half with KAN treatment, suggesting gut bacteria mediate resistance. Next, whole guts were isolated, bacterial DNA extracted, and 16S MiSeq was performed. Unlike most bacterial taxa, Stenotrophomonas increased in abundance in only the kanamycin-treated resistant strain and was the most indicative genus in classifying between control and kanamycin-treated cockroach guts. These findings provide unique insights into how the gut microbiome responds to stress and disturbance, and important new insights into microbiome-mediated insecticide resistance.
Restoring Shank3 in the rostral brainstem of shank3ab−/− zebrafish autism models rescues sensory deficits
Authors: Kozol Robert A. , James David M. , Varela Ivan , Sumathipala Sureni H. , Züchner Stephan , Dallman Julia E.
Published: December 2021

People with Phelan-McDermid Syndrome, caused by mutations in the SHANK3 gene, commonly exhibit reduced responses to sensory stimuli; yet the changes in brain-wide activity that link these symptoms to mutations in the shank3 gene remain unknown. Here we quantify movement in response to sudden darkness in larvae of two shank3 zebrafish mutant models and show that both models exhibit dampened responses to this stimulus. Using brain-wide activity mapping, we find that shank3−/− light-sensing brain regions show normal levels of activity while sensorimotor integration and motor regions are less active. Specifically restoring Shank3 function in a sensorimotor nucleus of the rostral brainstem enables the shank3−/− model to respond like wild-type. In sum, we find that reduced sensory responsiveness in shank3−/− models is associated with reduced activity in sensory processing brain regions and can be rescued by restoring Shank3 function in the rostral brainstem. These studies highlight the importance of Shank3 function in the rostral brainstem for integrating sensory inputs to generate behavioral adaptations to changing sensory stimuli.
An automated microfluidic platform for the screening and characterization of novel hepatitis B virus capsid assembly modulators
Authors: Vermes Tamás , Kielpinski Mark , Henkel Thomas , Pericàs Miquel A. , Alza Esther , Corcuera Angelica , Buschmann Helmut , Goldner Thomas , Urban Andreas
Published: December 2021

A fully automated microfluidic system was developed to screen for novel anti-HBV capsid assembly modulators. High-resolution dose–response curves were generated using convection-dominated Taylor–Aris dispersion of the screening compounds.
Interface engineering with self-assembling Au@Ag@β-cyclodextrin bimetal nanoparticles to fabricate a ring-like arrayed SERS substrate for sensitive recognition of phthalate esters based on a host–guest interaction and the coffee ring effect
Authors: Zhang Jingfei , Zhang Yu , Shi Guoyue
Published: December 2021

A ring-like arrayed SERS substrate with dual SERS signal amplification based on the ring effect and host–guest recognition was built by self-assembling Au@Ag@β-CD nanoparticles and used for the detection of PAEs.
Evaluation of injectable nucleus augmentation materials for the treatment of intervertebral disc degeneration
Authors: Culbert Matthew P. , Warren James P. , Dixon Andrew R. , Fermor Hazel L. , Beales Paul A. , Wilcox Ruth K.
Published: December 2021

In this review, we examine the materials that are currently under investigation for nucleus augmentation, and compare their ability to meet the design requirements for this application.
Triple-stranded triptycene-based metallo-supramolecular helicate displaying efficient encapsulation of bulky guest molecules
Authors: Du Xu-Sheng , Han Ying , Chen Chuan-Feng
Published: December 2021

A triple-stranded metallo-supramolecular helicate based on 2,7-disubstituted triptycene was easily constructed, and shows efficient encapsulation of quaternary ammonium guests.
Ultrasensitive multiplexed miRNA detection based on a self-priming hairpin-triggered isothermal cascade reaction
Authors: Song Jayeon , Lee Chang Yeol , Park Hyun Gyu
Published: December 2021

We herein describe an ultrasensitive isothermal strategy to detect miRNAs in a multiplexed manner by utilizing a self-priming hairpin-triggered cascade reaction and the adsorption properties of graphene oxide (GO).
Selenium atoms induce organic doped systems to produce pure phosphorescence emission
Authors: Zhang Xinyu , Wang Dan , Lei Yunxiang , Liu Miaochang , Cai Zhengxu , Wu Huayue , Shen Guoming , Huang Xiaobo , Dong Yuping
Published: December 2021

A doped system is constructed using a guest containing selenium atom. Selenium atom can increase the spin–orbit coupling and the conjugation degree, which increases the emission wavelength, and makes the materials have only phosphorescence emission.
Amine-boranes reactions promoted by lanthanide(ii) ions
Authors: Kirkina Vladislava A. , Kissel Alexander A. , Selikhov Alexander N. , Nelyubina Yulia V. , Filippov Oleg A. , Belkova Natalia V. , Trifonov Alexander A. , Shubina Elena S.
Published: December 2021

This study shows for the first time the catalytic activity in amine-borane dehydrogenation for lanthanide(ii) species and unveils the step-by-step transformations of the starting complexes into active catalytic intermediates.
Electrochemical recovery of plutonium from aqueous carbonate waste solutions
Authors: Agarwal Rahul , Dumpala Rama Mohana Rao , Sharma Manoj K , Noronha Donald M , Gamare Jayashree S , Jayachandran Kavitha , Nandi Chiranjit , Kaity Santu
Published: December 2021

A simple method was developed for the electrochemical recovery of Pu as pure PuO2 powder in the presence of different interfering ions and radiolytic and hydrolytic degradation products of TBP in a carbonate medium.
Two novel telluroniobates with efficient catalytic activity for the imidation/amidation reaction
Authors: Cheng Mengyuan , Liu Yufeng , Li Nan , Shi Jingwen , Du Weixin , Zhang Dongdi , Yang Guoping , Wang Guan , Niu Jingyang
Published: December 2021

Two novel compounds based on the {Te3Nb7O30} building unit were synthesized and found to be effective catalysts for the imidation and amidation reaction of anhydrides and amines to construct cyclic imides and bi-amides.
A new global analytical ab initio potential energy surface for the dynamics of the C+(2P) + SH(X2Π) reaction
Authors: Zhang Lulu , Zhao Juan , Liu Dong , Wang Wei , Yue Daguang , Song Yuzhi , Meng Qingtian
Published: December 2021

Relaxed triangular plot of the new PES in hyperspherical coordinates.
Hydrodeoxygenation of guaiacol over orthorhombic molybdenum carbide: a DFT and microkinetic study
Authors: Agrawal Kushagra , Roldan Alberto , Kishore Nanda , Logsdail Andrew J.
Published: December 2021

The hydrodeoxygenation of guaiacol is modelled over a (100) β-Mo2C surface using density functional theory and microkinetic simulations.
Engineering the geometric and electronic structure of Ru via Ru–TiO2 interaction for enhanced selective hydrogenation
Authors: Zhou Qiang , Zhao Zijiang , Yao Zihao , Wei Zhongzhe , Huang Songtao , Shao Fangjun , Li Aiyuan , Wang Jianguo
Published: December 2021

Ru/TiO2-Vo-250H with the structure of TiO2-Vo-partially encapsulated Ru nanoparticles, balances the active sites for H2 dissociation and the adsorption sites for 6-chloroquinoline, achieving the selective hydrogenation even at room temperature.
Panoramic insights into semi-artificial photosynthesis: origin, development, and future perspective
Authors: Xiao Kemeng , Liang Jun , Wang Xinyu , Hou Tianfeng , Ren Xiaoning , Yin Panqing , Ma Zhiping , Zeng Cuiping , Gao Xiang , Yu Tao , Si Tong , Wang Bo , Zhong Chao , Jiang Zhifeng , Lee Chun-Sing , Yu Jimmy Chai-mei , Wong Po Keung
Published: December 2021

This review comprehensively elaborates the modes of semi-artificial photosynthetic systems (SAPSs) based on the different combinations of photosensitizers and catalytic centers for energy and environmental application.
Starch and protein hydrolysis in cooked quinoa (Chenopodium quinoa Willd.) during static and dynamic in vitro oral and gastric digestion
Authors: Tagle-Freire Danny , Mennah-Govela Yamile , Bornhorst Gail M.
Published: December 2021

Differences in particle size and type of digestion model impacted pH, and protein and starch hydrolysis during gastric digestion of quinoa.
Showcasing the optical properties of monocrystalline zinc phosphide thin films as an earth-abundant photovoltaic absorber
Authors: Stutz Elias Z. , Zamani Mahdi , Damry Djamshid A. , Buswell Léa , Paul Rajrupa , Escobar Steinvall Simon , Leran Jean-Baptiste , Boland Jessica L. , Dimitrievska Mirjana , Fontcuberta i Morral Anna
Published: December 2021

Optoelectronic properties of zinc phosphide (Zn3P2), a promising photovoltaic absorber, are explored using photoluminescence and terahertz-probe spectroscopy.
GC-MS analysis of phytoconstituents from Ruellia prostrata and Senna tora and identification of potential anti-viral activity against SARS-CoV-2
Authors: Alam Rahat , Imon Raihan Rahman , Kabir Talukder Md. Enamul , Akhter Shahina , Hossain Md. Alam , Ahammad Foysal , Rahman Md. Mashiar
Published: December 2021

Protease (Mpro) of SARS-CoV-2 has been identified as being able to hinder the replication process of the virus. Using GC-MS analytical methods, phytochemicals were identified from different medicinal plants that resulted in inhibitory activity of the molecules against Mpro.
Phosphine-catalyzed [3 + 2] annulation of β-sulfonamido-substituted enones withtrans-α-cyano-α,β-unsaturated ketones for the synthesis of highly substituted pyrrolidines
Authors: Gao Zhenzhen , Xie Lei , Ji Lusha , Ma Xin , Li Xiaojing , Liu Honglei , Guo Hongchao
Published: December 2021

To synthesize highly substituted pyrrolidines, we developed a phosphine-catalyzed [3 + 2] annulation of β-sulfonamido-substituted enones withtrans-α-cyano-α,β-unsaturated ketones.
Temperature-dependent optical properties of CuFeO2 through the structural phase transition
Authors: Chen Hsiao-Wen , Huang Chu-Yun , Shu Guo-Jiun , Liu Hsiang-Lin
Published: December 2021

Delafossite CuFeO2 has recently attracted considerable attention because of its complex phase transitions and practical applications.
Hydrogel gratings with patterned analyte responsive dyes for spectroscopic sensing
Authors: Gupta Ruchi , El Sayed Sameh , Goddard Nicholas J.
Published: December 2021

This is an unprecedented report of hydrogel gratings with an analyte responsive dye immobilised in alternating strips where the patterned dye is its own dispersive element to perform spectroscopic sensing.
Introduction to celebrating Latin American talent in chemistry
Authors: Merino Gabriel , Fernández-Herrera María A. , Soler-Illia Galo J. A. A. , Zarbin Aldo J. G. , Zuin Vânia G. , Chamorro Eduardo , de Oliveira Luciana G. , Mesko Márcia Foster , Fraga Cesar , Ibarra Alvarado Ilich A. , Dupont Jairton , Nogueira Ana Flávia , Graeff Carlos F. O. , Pastore Heloise Oliveira , da Silva Júnior Eufrânio N. , Azzaroni Omar
Published: December 2021

In celebration of the excellence and breadth of Latin American research achievements across the chemical sciences, we are delighted to present an introduction to the themed collection, Celebrating Latin American talent in chemistry.
Pressurized interfacial failure of soft adhesives
Authors: Wahdat Hares , Zhang Cathy , Chan Nicky , Crosby Alfred J.
Published: December 2021

We modeled inside-out cavitation in soft adhesives by conducting and analyzing pressurized interfacial fracture experiments.
Understanding the pathways toward improved efficiency in MXene-assisted perovskite solar cells
Authors: Asgharizadeh Saeid , Khesali Azadi Saeid , Lazemi Masoud
Published: December 2021

A large and rapidly expanding class of two-dimensional (2D) metal carbides, nitrides, and carbonitrides called MXenes, with their interesting photovoltaic applications and tunable surface termination, has found a vast range of applications in improving the performance of perovskite solar cells (PSCs).