bluuebunny/crossref_metadata_2025_split huggingface dataset:
Primates and pandemics: A biocultural approach to understanding disease transmission in human and nonhuman primates
Authors: Radhakrishna Sindhu 
Published: September 2022

AbstractInvestigations into zoonotic disease outbreaks have been largely epidemiological and microbiological, with the primary focus being one of disease control and management. Increasingly though, the human–animal interface has proven to be an important driver for the acquisition and transmission of pathogens in humans, and this requires syncretic bio‐socio‐cultural enquiries into the origins of disease emergence, for more efficacious interventions. A biocultural lens is imperative for the examination of primate‐related zoonoses, for the human‐primate interface is broad and multitudinous, involving both physical and indirect interactions that occur due to shared spaces and ecologies. I use the case example of a viral zoonotic epidemic that is currently endemic to India, the Kysanaur Forest Disease, to show how biocultural anthropology provides a broad and integrative perspective into infectious disease ecology and presents new insights into the determinants of disease outbreaks. Drawing on insights from epidemiology, political ecology, primate behavioral ecology and ethnoprimatology, this paper demonstrates how human‐primate interactions and shared ecologies impact infectious disease spread between human and nonhuman primate groups.
Pharmacological insights into Chukrasia velutina bark: Experimental and computer‐aided approaches
Authors: Jahan Israt , Sakib Shahenur Alam , Alam Najmul , Majumder Mohuya , Sharmin Sanjida , Reza A. S. M. Ali 
Published: September 2022

AbstractBackgroundChukrasia velutina is an enthnomedicinally used plant reported to have significant medicinal values. The present study aimed to explore the pharmacological activities of bark methanol extract using in vitro, in vivo and in silico models.MethodsThe study was designed to investigate the pharmacological effects of methanol extract of Chukrasia velutina bark (MECVB) through in vitro, in vivo and in silico assays. Analgesic activity was tested using formalin‐induced nociception and acetic acid‐induced writhing assays while the antipyretic effect was tested using yeast‐induced hyperthermia in mice model. The antioxidant effect was tested using the DPPH and reducing power assay and the cytotoxic screening was tested using the brine shrimp lethality bioassay. In addition, in silico studies were conducted using computer aided methods.ResultsIn the acetic acid‐induced writhing assay, the extract showed 28.36% and 56.16% inhibition of writhing for doses of 200 and 400 mg/kg, respectively. Moreover, a dose‐dependent formalin‐induced licking response was observed in both early and late phase. In yeast‐induced pyrexia, the MECVB exhibited (p < 0.05) antipyretic effect. The extract demonstrated an IC50 value of 78.86 μg/ml compared with ascorbic acid (IC50 23.53 μg/ml) in the DPPH scavenging assay. The compounds sitosterol, 5,7‐dimethoxycoumarin and scopoletin were seen be effective in molecular docking scores against COX‐I (2OYE), COX‐II (6COX) and human peroxiredoxin 5 (1HD2). In ADME/T analysis, 5,7‐dimethoxycoumarin and scopoletin satisfied Lipinski's rule of five and thus are potential drug candidates.ConclusionThe bark of Chukrasia velutina showed significant analgesic and antipyretic properties and is a potential source of natural anti‐oxidative agents.
Sequential Passivation for Lead‐Free Tin Perovskite Solar Cells with High Efficiency
Authors: Zhang Zheng , Kamarudin Muhammad Akmal , Baranwal Ajay Kumar , Kapil Gaurav , Sahamir Shahrir Razey , Sanehira Yoshitaka , Chen Mengmeng , Wang Liang , Shen Qing , Hayase Shuzi 
Published: September 2022

AbstractLead‐free tin perovskite solar cells (PKSCs) have attracted tremendous interest as a replacement for toxic lead‐based PKSCs. Nevertheless, the efficiency is significantly low due to the rough surface morphology and high number of defects, which are caused by the fast crystallization and easy oxidization. In this study, a facile and universal posttreatment strategy of sequential passivation with acetylacetone (ACAC) and ethylenediamine (EDA) is proposed. The results show that ACAC can reduce the trap density and enlarge the grain size (short‐circuit current (Jsc) enhancement), while EDA can bond the undercoordinated tin and regulate the energy level (open‐circuit voltage (Voc) enhancement). A promising 13 % efficiency is achieved with better stability. In addition, other combinations of diketones or amines are selected, with similar effects. This study provides a universal strategy to enhance the crystallinity and passivate defects while fabricating stable PKSCs with high efficiency.
Next Generation Opto‐Jasplakinolides Enable Local Remodeling of Actin Networks**
Authors: Küllmer Florian , Vepřek Nynke A. , Borowiak Malgorzata , Nasufović Veselin , Barutzki Sebastian , Thorn‐Seshold Oliver , Arndt Hans‐Dieter , Trauner Dirk 
Published: September 2022

AbstractThe natural product jasplakinolide is widely used to stabilize F‐actin. Based on extensive structure–activity relationship studies, we have developed a new generation of photoswitchable jasplakinolides that feature rationally designed red‐shifted azobenzene photoswitches. Our lead compound, nOJ, can be activated with longer wavelengths in the visible range (e.g. 440–475 nm) and rapidly returns to its inactive state through thermal relaxation. nOJ enables the reversible control of F‐actin dynamics, as shown through live‐cell imaging, cell migration, and cell proliferation assays. Short, local irradiation with blue light resulted in highly localized and reversible actin aggregation with subcellular precision. Our optical tool can be useful in diverse fields to study actin dynamics with excellent spatiotemporal resolution.
A Three‐Membered Diazo‐Aluminum Heterocycle to Access an Al=C π Bonding Species
Authors: Yan Chenting , Kinjo Rei 
Published: September 2022

Abstract[1+2] cycloaddition between a cyclic (alkyl)(amino)aluminyl anion (3) and diaryldiazomethane affords an AlN2three‐membered ring species (4). Compound (4) is thermally unstable and spontaneously releases N2gas under the mild reaction condition to generate an ion‐separated species5. An X‐ray study shows that the anionic part of5bears a considerable short exocyclic Al−C bond, and computational studies involving molecular orbital and natural bond orbital analysis indicate the Al=C π bonding character. The Al=C moiety of5undergoes intramolecular C−H activation. Moreover, reaction of5with a diazo compound leads to the reduction and complete cleavage of the N=N double bond.
Sactipeptide Engineering by Probing the Substrate Tolerance of a Thioether‐Bond‐Forming Sactisynthase
Authors: Ali Ataurehman , Happel Dominic , Habermann Jan , Schoenfeld Katrin , Macarrón Palacios Arturo , Bitsch Sebastian , Englert Simon , Schneider Hendrik , Avrutina Olga , Fabritz Sebastian , Kolmar Harald 
Published: September 2022

AbstractSactipeptides are ribosomally synthesized peptides containing a unique sulfur to α‐carbon crosslink. Catalyzed by sactisynthases, this thioether pattern endows sactipeptides with enhanced structural, thermal, and proteolytic stability, which makes them attractive scaffolds for the development of novel biotherapeutics. Herein, we report the in‐depth study on the substrate tolerance of the sactisynthase AlbA to catalyze the formation of thioether bridges in sactipeptides. We identified a possible modification site within the sactipeptide subtilosin A allowing for peptide engineering without compromising formation of thioether bridges. A panel of natural and hybrid sactipeptides was produced to study the AlbA‐mediated formation of thioether bridges, which were identified mass‐spectrometrically. In a proof‐of‐principle study, we re‐engineered subtilosin A to a thioether‐bridged, specific streptavidin targeting peptide, opening the door for the functional engineering of sactipeptides.
Improved soy protein adhesives by lignin and polyamide‐epichlorohydrin: Adhesion performance and properties
Authors: Pradyawong Sarocha , Brown Nataniel H. , Zhao Jikai , Qi Guangyang , Zheng Yi , Sun Xiuzhi Susan , Wang Donghai 
Published: September 2022

AbstractProtein modifications by crosslinkers have been known to be the most effective way to improve the bonding performance of plant‐based protein adhesives. However, utilizing a huge amount of chemical crosslinkers in wood industries rises a concern about product's sustainability and environmental pollution. Therefore, the objective of this study was to improve the water resistance of soy protein (SP) adhesives using renewable bio‐based lignin with minimal use of polyamide‐epichlorohydrin (PAE). The effects of lignin, PAE and combination of lignin‐PAE on SP adhesives were investigated. The results showed that the addition of lignin enhanced the thermal properties of SP adhesives with an increment in the denaturing temperature of 11S protein subunit, whereas PAE elevated the denaturing temperature of 7S protein subunit. Moreover, individual addition of either lignin or PAE increased the elastic modulus and wet adhesion performance of SP adhesives. The same trend was also observed on adhesion performance when both lignin and PAE were used in conjunction. Fourier transform infrared spectroscopy spectra indicated interactions of lignin and PAE to carbonyl, hydroxyl, and amino groups of SP, which lead to a stronger SP network. SP adhesive (10%) modified by a combination of 1% lignin and 1% PAE improved wet adhesion strength by 111% (from 1.8 to 3.8 MPa) with no impact on the spreadability. Further addition of either lignin or PAE did not show a positive effect on the adhesion performance, but rather a decrease in adhesive spreadability due to excessive interactions among SP, lignin, and PAE as well as the interference of the excessive lignin/PAE.
Effect of fiber orientation on the fatigue crack initiation and propagation of glass fiber reinforced plastics
Authors: Sakai Michiya , Arakawa Jinta , Akebono Hiroyuki , Sugeta Atsushi , Ohshita Joji , Tanizawa Hiroki , Shimizu Katsunori , Ogawa Junichi 
Published: September 2022

AbstractIn recent years, glass‐fiber‐reinforced plastic (GFRP) applications have expanded. This study elucidates the fatigue fracture mechanism of GFRP with different fiber orientations and experimentally clarifies the relationship between fiber orientation and fracture mechanism by using specimens with unidirectional simple fiber orientations. First, Static tensile and fatigue tests are performed on two types of specimens with fibers oriented in a single direction (parallel to the load axis and orthogonal to the load axis), and it is found that specimens with a single fiber orientation parallel to the load axis shows higher strength in both tests. Next, In the case of GFRP with fibers oriented parallel to the load axis, it is found that fatigue loading causes fatigue crack initiation at the fiber ends, followed by fiber localized debonding due to crack propagation at the fiber‐matrix interface and that the crack propagation rate gradually decreases and stops. Therefore, this suggests that the increase in fiber length of fibers oriented parallel to the load axis in GFRP leads to an increase in the crack propagation life at the fiber‐matrix interface, which leads to an increase in fatigue life.
A thioredoxin peroxidase protects Pieris rapae from oxidative stress induced by chlorantraniliprole exposure
Authors: Zhao Le , Cao Ye , Wang Dong‐Dong , Chen Nan , Li Shi‐Guang , Liu Su , Li Mao‐Ye 
Published: September 2022

AbstractChlorantraniliprole (CAP) is an insecticide widely used to control the small white butterfly (SWB), Pieris rapae. Exposure to CAP can cause oxidative injury in SWB; however, it is unclear if antioxidant enzymes are involved in the defense process. In this study, a thioredoxin peroxidase (PrTPX1) gene was identified from SWB by using a homology search method. The gene encoded a 195 amino‐acid PrTPX1 protein. Sequence characteristics and phylogenetic analysis indicated that PrTPX1 was a typical “2‐Cys” TPX, and the PrTPX1 gene consisted of four exons and three introns. Reverse transcription‐quantitative polymerase chain reaction analysis indicated that the messenger RNA levels of PrTPX1 were highest in third‐, fourth‐ and fifth‐instar larval stages and in the larval midgut. Treatment with sublethal doses (LD20 and LD50) of CAP for 6, 12, 18, and 24 h resulted in increased H2O2 concentration in SWB larvae, indicating insecticide‐induced oxidative stress. The transcriptional levels of PrTPX1 were significantly enhanced in larvae exposed to CAP. Recombinant PrTPX1 protein was expressed in Escherichia coli. Enzymatic assay revealed that the protein displayed antioxidant activity and was able to protect against oxidative challenge. These results indicated that PrTPX1 plays an important role in oxidative stress responses and may contribute to the CAP tolerance in SWB.
Mechanistic Understanding of KOtBu‐Mediated Direct Amidation of Esters with Anilines: An Experimental Study and Computational Approach
Authors: Nad Pinaki , Gupta Kriti , Sen Anik , Mukherjee Arup 
Published: September 2022

AbstractA sustainable and cost‐effective protocol has been reported for the synthesis of amide bonds from unactivated esters and non‐nucleophilic amines promoted by potassium tert‐butoxide under aerobic conditions. The reaction proceeds under relatively mild conditions, encompassing wide substrate scope. A combined experimental and quantum chemical study has been performed to shed light on the mechanism, which implied that a radical pathway is operating for the present protocol.
Model misspecification and bias for inverse probability weighting estimators of average causal effects
Authors: Waernbaum Ingeborg , Pazzagli Laura 
Published: September 2022

AbstractCommonly used semiparametric estimators of causal effects specify parametric models for the propensity score (PS) and the conditional outcome. An example is an augmented inverse probability weighting (IPW) estimator, frequently referred to as a doubly robust estimator, because it is consistent if at least one of the two models is correctly specified. However, in many observational studies, the role of the parametric models is often not to provide a representation of the data‐generating process but rather to facilitate the adjustment for confounding, making the assumption of at least one true model unlikely to hold. In this paper, we propose a crude analytical approach to study the large‐sample bias of estimators when the models are assumed to be approximations of the data‐generating process, namely, when all models are misspecified. We apply our approach to three prototypical estimators of the average causal effect, two IPW estimators, using a misspecified PS model, and an augmented IPW (AIPW) estimator, using misspecified models for the outcome regression (OR) and the PS. For the two IPW estimators, we show that normalization, in addition to having a smaller variance, also offers some protection against bias due to model misspecification. To analyze the question of when the use of two misspecified models is better than one we derive necessary and sufficient conditions for when the AIPW estimator has a smaller bias than a simple IPW estimator and when it has a smaller bias than an IPW estimator with normalized weights. If the misspecification of the outcome model is moderate, the comparisons of the biases of the IPW and AIPW estimators show that the AIPW estimator has a smaller bias than the IPW estimators. However, all biases include a scaling with the PS‐model error and we suggest caution in modeling the PS whenever such a model is involved. For numerical and finite sample illustrations, we include three simulation studies and corresponding approximations of the large‐sample biases. In a dataset from the National Health and Nutrition Examination Survey, we estimate the effect of smoking on blood lead levels.
Against the “one method fits all data sets” philosophy for comparison studies in methodological research
Authors: Strobl Carolin , Leisch Friedrich 
Published: September 2022

AbstractMany methodological comparison studies aim at identifying a single or a few “best performing” methods over a certain range of data sets. In this paper we take a different viewpoint by asking whether the research question of identifying the best performing method is what we should be striving for in the first place. We will argue that this research question implies assumptions which we do not consider warranted in methodological research, that a different research question would be more informative, and how this research question can be fruitfully investigated.
Protein structure–function exploration initiative in undergraduate biochemistry and independent research courses
Authors: Trivedi Vishwa D. 
Published: September 2022

AbstractProtein structure–function relationship serves as the primary learning outcome in any undergraduate biochemistry course. We expanded the protein structure–function exploration, PSFE initiative during COVID‐19 to provide more effective and engaging experience to our undergraduates in biochemistry and independent research courses. Multiple alignments of protein sequences provided crucial insight into sequence conservation across many species and thus allow identification of those sections of the sequence most critical to protein function. We used Anabaena Sensory Rhodopsin, ASR its transducer, ASRT and downstream novel kinase gene products of Anabaena PCC 7120 to seek their alignment with homologs in available database. Pymol served an opportunity to achieve this goal (interactive learning during lab session and stimulation of course content discussion) in interesting ways. The PSFE initiative expansion continued during pandemic using online/hybrid modality. Initially model examples all helical ASR and beta‐sheet ASRT were introduced to connect and integrate our ongoing research interest into classroom activities. Subsequently, undergraduates in biochemistry course were assigned a homolog of model proteins any particular protein of students choice to study and characterize using Pymol in semester. During first phase, each undergraduate worked independently using established guidelines. Student's exploration progress was periodically reviewed in pilot phase with majority of students who perceived it as challenging task successfully completed the assignment. Using the PyMol application to reinforce visual understanding of protein structure was highly satisfying experience that greatly enriched undergraduates understanding and appreciation. This article reports a session from the virtual international 2021 IUBMB/ASBMB workshop, “Teaching Science on BigData.”
MEG measured delta waves increase in adolescents after concussion
Authors: Davenport Elizabeth M. , Urban Jillian E. , Vaughan Christopher , DeSimone Jesse C. , Wagner Ben , Espeland Mark A. , Powers Alexander K. , Whitlow Christopher T. , Stitzel Joel D. , Maldjian Joseph A. 
Published: September 2022

AbstractIntroductionThe purpose of this study is to determine if delta waves, measured by magnetoencephalography (MEG), increase in adolescents due to a sports concussion.MethodsTwenty‐four adolescents (age 14–17) completed pre‐ and postseason MRI and MEG scanning. MEG whole‐brain delta power was calculated for each subject and normalized by the subject's total power. In eight high school football players diagnosed with a concussion during the season (mean age = 15.8), preseason delta power was subtracted from their postseason scan. In eight high school football players without a concussion (mean age = 15.7), preseason delta power was subtracted from postseason delta power and in eight age‐matched noncontact controls (mean age = 15.9), baseline delta power was subtracted from a 4‐month follow‐up scan.ANOVA was used to compare the mean differences between preseason and postseason scans for the three groups of players, with pairwise comparisons based on Student's t‐test method.ResultsPlayers with concussions had significantly increased delta wave power at their postseason scans than nonconcussed players (p = .018) and controls (p = .027).ConclusionWe demonstrate that a single concussion during the season in adolescent subjects can increase MEG measured delta frequency power at their postseason scan. This adds to the growing body of literature indicating increased delta power following a concussion.
Curious about the circular economy? Internal and external influences on information search about the product lifecycle
Authors: Di Iorio Vinicio , Testa Francesco , Korschun Daniel , Iraldo Fabio , Iovino Roberta 
Published: September 2022

AbstractThe advent of the circular economy has repurposed traditional consumption habits. It is expanding opportunities for consumers to preserve the ecosystem throughout the whole product lifecycle. Drawing from extant rational and moral theories in behavior change, this research extends the understanding of consumer involvement in the circular economy by investigating whether being exposed to “green” clues can trigger additional information seeking and be empowering to people to contribute to the circular economy. In contrast to some prior research that suggests that information can overload consumers, this research finds that these “green” clues can stimulate greater information seeking, which can make the consumer feel more capable of effecting change through circular economy consumption. This study draws a conceptual model for behavioral change, tested on a representative sample of 4161 individuals across the five largest European countries. Results show that external “green” clues prompt consumers' information search on product lifecycle and ultimately make them feel empowered to contribute to the circular economy. Overall the research suggests that sustainability information can stimulate heightened curiosity and encourage consumers to become willing and active participants in this burgeoning circular economy.
Synthesis and Biological Evaluation of 2‐(Halophenyl)benzoxazole‐5‐Carboxylic Acids as Potential Anti‐Inflammatory and Cytotoxic Agent with Molecular Docking Studies
Authors: Thakral Sumit , Kumar Devinder , Thakral Samridhi , Singh Vikramjeet , Muni Nagesh A , Verma Sneha , Pandey Deepak 
Published: September 2022

Abstract2‐Halogenatedphenyl benzoxazole‐5‐carboxylic acids with mono‐halogen (chloro, bromo and fluoro) substituted at ortho‐, meta‐ and para‐positions on the phenyl ring were designed and synthesized based on significance of presence of halogen in increasing number of marketed halogenated drugs and importance of benzoxazoles. These 2‐alogenatedphenylbenzoxazole‐5‐carboxylic acids and their methyl esters were screened for anti‐inflammatory activity, and cytotoxicity. 2‐(3‐Chlorophenyl)benzoxaole‐5‐carboxylic acid (6b) exhibited significant anti‐inflammatory activity with IC50values of 0.103 mM almost equivalent to the standard drug ibuprofen (0.101 mM). 2‐(4‐Chlorophenyl)benzoxaole‐5‐carboxylic acid (6c) showed excellent cytotoxic activity against 22Rv1 cells (human prostate carcinoma epithelial cell lines) with IC50value of 1.54 μM better than that of standard drug doxorubicin having IC50value of 2.32 μM. More importantly, the selectivity index of this potential molecule was found to be 57.74. Molecular docking analysis resulted in good binding interactions of these compounds with their respective biochemical targetsviz. Cyclooxygenase‐2 and aldo‐keto reductase IC3.