bluuebunny/crossref_metadata_2025 huggingface dataset:
Energy Transport in Dichroic Metallo‐organic Crystals: Selective Inclusion of Spatially Resolved Arrays of Donor and Acceptor Dyes in Different Nanochannels**
Authors: Wen Qiang , Malik Naveen , Addadi Yoseph , Weißenfels Maren , Singh Vivek , Shimon Linda J. W. , Lahav Michal , van der Boom Milko E.
Published: November 2022

In this study, the precise positioning and alignment of arrays of two different guest molecules in a crystalline host matrix has been engineered and resulted in new optically active materials. Sub‐nm differences in the diameters of two types of 1D channels are sufficient for size‐selective inclusion of dyes. Energy transport occurs between the arrays of different dyes that are included in parallel‐positioned nanochannels by Förster resonance energy transfer (FRET). The color of individual micro‐sized crystals are dependent on their relative position under polarized light. This angular‐dependent behavior is a result of the geometrically constrained orientation of the dyes by the crystallographic packing of the host matrix and is concentration dependent.
C‐H‐Fluormethoxylierung von Aromaten durch Photoredox‐Katalyse
Authors: Bertoli Giulia , Martínez Ángel Manu , Goebel Jonas F. , Belmonte Debora , Sivendran Nardana , Gooßen Lukas J.
Published: November 2022

Redoxaktive N‐(Fluormethoxy)benzotriazole wurden aus Fluoressigsäure und Hydroxybenzotriazolen durch elektrocarboxylative Kopplung zugänglich gemacht. Nach Alkylierung werden diese zu wirksamen Monofluormethoxylierungsreagenzien, welche die photokatalytische C‐H‐Funktionalisierung von Aromaten ermöglichen. Dadurch kann durch Bestrahlung von 1‐(OCH2F)‐3‐Me‐6‐(CF3)benzotriazoliumtriflat mit blauem LED‐Licht in Gegenwart von [Ru(bpy)3(PF6)2] die Synthese von vielfältig funktionalisierten Arylmonofluormethylethern begünstigt werden. Diese Methode ermöglicht die späte Funktionalisierung biologisch relevanter Strukturen, ohne auf ökologisch problematische Halofluorkohlenwasserstoffe angewiesen zu sein.
Study of the microstructure formation mechanisms of poly(ether‐ether‐ketone) monofilaments via melt spinning
Authors: Zhang Jiacheng , Li Yonggang , Ma Gang , Ren Jiannan , Wang Guibin , Zhang Shuling , Zhang Mei , Luan Jiashuang
Published: November 2022

The microstructure formation mechanism of melt‐spun Poly(ether‐ether‐ketone) monofilaments during poststretching was investigated using in‐situ wide‐angle X‐ray diffraction in combination with polarizing microscopy, differential scanning calorimetry and universal testing machine. As PEEK monofilaments were stretched at 210°C, the crystallinity and microcrystal size first increased during the insulation state (Is‐S), then decreased during the poststretching state (Ps‐S), and further increased during the postcooling state (Pc‐S), at last were observed to selective orientation. At 210°C, the anisotropically aligned molecular chains reach a meritocratic orientation in the stress direction under 4.0 times drawing conditions, resulting in the highest tensile strength and modulus. As the stretching ratio increases, the crystallinity and microcrystal size first increase during Pc‐S and then decrease due to the effect of the stretched molecular chains on crystal growth and the degree of tearing in the crystalline region. The molecular chains of PEEK monofilaments stretched by uniaxial stress are aligned more flatly and uniformly along the fiber axis. We hope that this work will provide advice and guidance for the industrial production of high‐performance fibers.
Robust control of water quality in intensive aquaculture using multi‐variable quantitative feedback theory: From an Indian context
Authors: Chakravarty Sandipan Prasad , Sinha Aritra , Baishya Sangipran , Roy Prasanta
Published: November 2022

This paper addresses the problem of controlling turbidity, dissolved oxygen, ammonium‐ion concentration, and water‐temperature to maintain the desired water quality in an intensive aquaculture plant. The research is carried out to fit into the present scenario of intensive aquaculture in India. The plant model along with uncertain parameters are derived using physical laws and the data acquired from an aquaculture pond in Assam, India. A pre‐compensated multi‐variable quantitative feedback theory (QFT)‐based fully populated robust matrix controller is proposed to mitigate the control challenge. A novel method is used to design the pre‐compensator to enhance the diagonal dominance of plant transfer function matrix. The desired robust stability, reference tracking, and sensitivity specifications are fulfilled by the proposed QFT‐based robust controller despite the parametric uncertainty. The effectiveness of the proposed method is validated through numerical simulation. A comparative study against a
controller shows that the proposed controller strategy gives a satisfactory performance compared to it.
Sliding‐mode boundary control for perturbed time fractional parabolic systems with spatially varying coefficients using backstepping
Authors: Chen Juan , Zhuang Bo
Published: November 2022

In this paper, we consider the boundary stabilization of an uncertain time fractional parabolic systems governed by time fractional parabolic partial differential equations (PDEs) with a boundary input disturbance and spatially varying coefficients (nonconstant coefficients) using a fractional‐order sliding‐mode controller. For this, the backstepping approach is used to transform an original system into a target system with a new manipulable input and perturbation. Then, the fractional‐order sliding‐mode algorithm is employed to design this new discontinuous boundary input to achieve the asymptotical stabilization of the target system (and, therefore, of the original system as well) by the fractional Lyapunov method. Apart from this, the well‐posedness of the fractional parabolic system is analyzed theoretically. Fractional‐order numerical simulations are provided to validate the developed technique.
Green sensitive spectrofluorimetric determination of pemetrexed as antineoplastic drug: Application in pharmaceutical dosage forms and spiked human plasma
Authors: Salem Hesham , Samir Ebtihal , Galal Mariam , Hussien Maha , Abdelaziz Amany
Published: November 2022

A recent antineoplastic medication is pemetrexed, this medicine is now being developed and produced on a large scale, thus approaches for quality control are urgently needed. Spectrofluorimetric guidelines for the simple estimation of pemetrexed were validated. Pemetrexed's assay depends on observations of its native fluorescence at wavelengths 275/450 nm and pH 4. The proposed approach was also used to identify the examined drug in both its formulation and in human plasma that had been spiked.
Validated LC–MS/MS method for the determination of copanlisib in mouse dried blood spots
Authors: Tripathy Harsha K. , Kiran Vinay , Zakkula Ashok , A. B. Vinod , Bestha Rama Murthy , Dittakavi Sreekanth , Mullangi Ramesh
Published: November 2022

Copanlisib is a dual PI3K‐δ inhibitor, used in follicular lymphoma treatment. In this research, we report a validated LC–MS/MS method for quantifying copanlisib from a mouse dried blood spot (DBS). We validated the method in line with the guidelines of the US Food and Drug Administration. The liquid–liquid extraction technique was used to extract copanlisib from the DBS discs. We used an Atlantis dC18 column and isocratic mobile phase for the chromatographic separation of copanlisib and the internal standard (idelalisib). The flow was 0.90 ml/min. Under the optimized chromatographic conditions, the retentions of copanlisib and the internal standard were 0.98 and 0.93 min, respectively. Each injection total run time was 2.50 min. The MS/MS ion transitions monitored were m/z 481.31 → 128.00 and 416.10 → 176.10 for copanlisib and the internal standard (IS) idelalisib, respectively. We have used a broad calibration range (1.01–4,797 ng/ml) with a determination coefficient (r2) of 0.997. All of the evaluated parameters met the acceptance criteria. Hematocrit did not influence the DBS copanlisib concentrations. We have used the validated method to derive the intravenous pharmacokinetic parameters by quantifying copanlisib in mouse plasma.
Efficacy and safety of anamorelin in patients with cancer cachexia: Post‐hoc subgroup analyses of a placebo‐controlled study
Authors: Takayama Koichi , Takiguchi Toru , Komura Naoyuki , Naito Tateaki
Published: November 2022

Background

Cachexia, a disorder associated with anorexia, inflammation, and muscle wasting, is frequent in cancer patients. We performed post‐hoc analyses of the ONO‐7643‐04 study to investigate the efficacy and safety of anamorelin in subgroups of Japanese patients with non‐small cell lung cancer (NSCLC).

Methods

The patients were divided into subgroups by baseline characteristics, including sex, age, body mass index, prior weight loss, performance status (PS), concomitant anticancer therapy, and number of previous chemotherapy regimens. The changes from baseline through to 12 weeks for lean body mass (LBM), body weight, and appetite were calculated. Appetite was evaluated using the quality of life questionnaire for cancer patients treated with anticancer drugs (QOL‐ACD) item 8 score. Responder rates were defined as the maintenance/improvement of LBM (≥0 kg), body weight (≥0 kg), or QOL‐ACD item 8 score (≥0) from baseline to all evaluation time points. Safety was evaluated in patients subgrouped by age and PS.

Results

Anamorelin resulted in greater improvements versus placebo in LBM, body weight, and appetite in most subgroups. Anamorelin was also associated with greater LBM, body weight, and appetite responder rates than placebo in nearly all subgroups. Among anamorelin‐treated patients, adverse drug reactions (ADRs) tended to be more frequent with increasing age (<65 years, 19.2%; ≥65 to <75 years, 45.9%; ≥75 years, 60.0%) and PS score (PS 0–1, 38.4%; PS 2, 60.0%). The frequency of serious ADRs was 2.7% and 0% in the PS 0–1 and PS 2 subgroups, respectively.

Conclusion

This study of NSCLC patients with cancer cachexia revealed consistent improvements in LBM, body weight, and appetite across most subgroups of anamorelin‐treated patients. This study also demonstrated the tolerability of anamorelin regardless of age and PS, with a low incidence of serious ADRs in each subgroup.
Patient‐reported symptom burden and impact on daily activities in chronic graft‐versus‐host disease
Authors: Yu Jingbo , Hamilton Betty K. , Turnbull James , Stewart Susan K. , Vernaya Alla , Bhatt Valkal , Meyers Oren , Galvin John
Published: November 2022

Background

Chronic graft‐versus‐host disease (GVHD) is a potentially life‐threatening complication of allogeneic hematopoietic stem cell transplantation (HSCT) treatment for hematologic malignancies. There are limited patient‐reported data concerning symptom burden and effects on activities of daily living (ADL).

Methods

The cross‐sectional Living With Chronic GVHD Patient Survey was administered online in the United States (May–August 2020) to participants aged ≥18 years who underwent allogeneic HSCT, were diagnosed with chronic GVHD by a healthcare provider, and self‐reported active chronic GVHD (within past 5 years). Information on patient demographics, disease characteristics, symptom burden, and ability to perform ADL was collected. Symptom burden was assessed using the validated Lee Symptom Scale (range from 0–100 with higher scores indicating greater burden). All data were summarized using descriptive statistics; no formal statistical comparisons were conducted.

Results

Out of 580 participants who entered the survey screener, 165 participants (28.4%) across 33 states fulfilled all study eligibility criteria, completed the entire survey, and were included (age: mean [SD], 53.7 (13.8) years; median [range], 57.0 [18–78] years; female, n = 105 [63.6%]; White, n = 137 [83.0%]). Respondents described their chronic GVHD severity primarily as moderate (n = 54 [32.7%]) or severe (n = 102 [61.8%]) at the time when symptoms were at their worst. One‐third of respondents (33.9%) indicated that their chronic GVHD symptoms were at their worst for ≥1 year in duration. Mean (SD; range) Lee Symptom Scale score was 44.8 (19.4; 2–100); 44% of respondents considered “dry eye” the most burdensome symptom. Almost half of respondents (n = 73 [44.2%]) rated their overall quality of life (QoL) as poor. Participants reported a detrimental impact of symptoms on ADL, including basic activities (eg, eating, personal hygiene, dressing).

Conclusions

Survey respondents self‐reported high chronic GVHD symptom burden and felt that their symptoms severely interfered with physical function and ADL. Effective strategies to mitigate chronic GVHD symptoms are needed to improve QoL among HSCT survivors.
Evaluating the impact of COVID‐19 on cancer declarations in Quebec, Canada
Authors: Ramanakumar Agnihotram V. , Annie Bourassa , Frederic Lamonde , Christine Bertrand , Cathy Rouleau , Jean Latreille
Published: November 2022

Background

COVID‐19 affected healthcare worldwide, limited access to healthcare, and delayed cancer screening and diagnosis. In this study, the effect of the first year of COVID‐19 was determined on cancer diagnoses in the province of Quebec, Canada.

Methods

Data were collected from the 13 Quebec Cancer Registry health institutions. Newly diagnosed cancer declarations in the first year of the COVID‐19 (April 2020–March 2021) were compared with the reference periods (averages of 3 previous years). The main focus was on four leading cancers: lung, prostate, colorectal, and breast cancers. Generalized regression models with a poisson approximation and interrupted time series (ITS) analysis were used. Underestimated cases were presented in terms of relative risk (RR) and 95% confidence intervals (CI). The changes in the stage‐specific counts were also assessed in each of the four cancers. Results were illustrated separately for the first 4 months of the pandemic (first wave).

Findings

This study estimated an overall under‐reporting of 15.3% (29,019 vs. 24,584) of declarations. This under‐reporting was evident across all age groups above 35 years (p < 0.0001), four primary cancers (p < 0.0001), all stages of cancers (p < 0.0001), and both sexes (p < 0.0001). Based on the relative risks, stage‐specific lung cancer counts were underestimated by 5%–34% in the first wave (0%–11% in the first year), prostate cancer by 16%–46% in the first wave (0%–25% in the first year), colorectal cancer 15%–45% in the first wave (0%–24% in the first year), and breast cancer 3%–45% in the first wave and (0%–28% in the first year). However, no stage‐IV cancers were statically under‐reported compared to the pre‐pandemic era and not even in the first wave.

Interpretation

Cancer diagnosis was underestimated due to the COVID‐19 pandemic in the first year; this effect was more evident in the first phase of the pandemic in Quebec. Further research is required to determine the accurate burden of the disease in the long term.
Immune checkpoint gene VSIR predicts patient prognosis in acute myeloid leukemia and myelodysplastic syndromes
Authors: Yao Kevin , Zhou Emily , Schaafsma Evelien , Zhang Baoyi , Cheng Chao
Published: November 2022

Background

Immune checkpoint proteins play critical functions during the immune response to cancer and have been targeted by immune checkpoint blockade therapy. V‐domain Ig suppressor of T cell activation (VSIR) is one of these immune checkpoint genes and has been investigated extensively in recent years due to its conflicting roles in cancer immunity. Specifically, in acute myeloid leukemia (AML), the prognostic value of VSIR is debated.

Results

In both patient tumor samples and cancer cell lines we find that VSIR has the highest expression in AML out of all cancer types and, in AML, has the highest expression out of all other immune checkpoint genes. Survival analysis indicated that AML patients with higher VSIR expression have significantly shorter survival than those patients with lower expression, even within established AML subgroups (e.g., FAB subtypes). Importantly, VSIR expression is predictive of progression from myelodysplastic syndromes (MDS) patients into AML, suggesting its potential role during the very early stage of AML development and progression. In addition to AML, VSIR also demonstrates prognostic values in other cancer types, including multiple myeloma and mesothelioma.

Conclusion

In summary, our analyses revealed the prognostic value of VSIR and its potential as a target for immunotherapy, especially in AML.
Molecular characterization of AML‐MRC reveals TP53 mutation as an adverse prognostic factor irrespective of MRC‐defining criteria, TP53 allelic state, or TP53 variant allele frequency
Authors: Zhao Davidson , Eladl Entsar , Zarif Mojgan , Capo‐Chichi José‐Mario , Schuh Andre , Atenafu Eshetu , Minden Mark , Chang Hong
Published: November 2022

Background

Acute myeloid leukemia with myelodysplasia‐related changes (AML‐MRC) generally confers poor prognosis, however, patient outcomes are heterogeneous. The impact of TP53 allelic state and variant allele frequency (VAF) in AML‐MRC remains poorly defined.

Methods

We retrospectively evaluated 266 AML‐MRC patients who had NGS testing at our institution from 2014 to 2020 and analyzed their clinical outcomes based on clinicopathological features.

Results

TP53 mutations were associated with cytogenetic abnormalities in 5q, 7q, 17p, and complex karyotype. Prognostic evaluation of TP53MUT AML‐MRC revealed no difference in outcome between TP53 double/multi‐hit state and single‐hit state. Patients with high TP53MUT variant allele frequency (VAF) had inferior outcomes compared to patients with low TP53MUT VAF. When compared to TP53WT patients, TP53MUT patients had inferior outcomes regardless of MRC‐defining criteria, TP53 allelic state, or VAF. TP53 mutations and elevated serum LDH were independent predictors for inferior OS and EFS, while PHF6 mutations and transplantation were independent predictors for favorable OS and EFS. NRAS mutation was an independent predictor for favorable EFS.

Conclusions

Our study suggests that TP53MUT AML‐MRC defines a very‐high‐risk subentity of AML in which novel therapies should be explored.
Giant aneurysm of the circumflex artery
Authors: Karangelis Dimos , Alexiou Christos , Christodoulou Konstantinos C. , Gerontitis Zisis , Mikroulis Dimitrios
Published: November 2022

In this paper, we describe a rare case of a giant aneurysm of the circumflex artery that we managed. A 59‐year‐old female patient presented in cardiogenic shock after partial aneurysm rupture. Giant aneurysms of the circumflex artery are extremely rare entities. The optimal surgical management dictates meticulous preoperative planning and the operation should be carried out on an elective basis.
Extreme hyperferritinemia without associated HLH in a patient with T‐cell lymphoma
Authors: Lau Grace , Dougherty Sean C. , Friedman Lisa , Wispelwey Brian
Published: November 2022

Extreme hyperferritinemia has historically been associated with a short list of rare diagnoses, including hemophagocytic lymphohistiocytosis (HLH). However, hyperferritinemia is not specific for HLH in the adult population. Among other more common causes, T‐cell lymphoma and other malignancies warrant evaluation prior to considering more rare diagnoses.
Effect of particle size of calcite on the stacking order of kaolinite during mechanical grinding
Authors: Machida Shingo , Katsumata Kenichi , Yasumori Atsuo
Published: November 2022

The effect of calcium carbonate (CaCO3) particles on the stacking order of kaolinite, a layered clay mineral, during the mechanical grinding process was demonstrated by grinding of expanded kaolinite without impurities (Ex‐Kaol), a methoxy‐modified kaolinite, in the presence and absence of calcite with different particle sizes. The X‐ray diffraction patterns of the ground raw materials revealed that the relative intensity of the reflection corresponding to stacking direction of kaolinite decreased in the absence of calcite particles. The presence of calcite particles suppressed the disruption of the stacking order of kaolinite due to the breaking of calcite particles. In addition, this suppression was weakened using calcite particles of smaller size. Meanwhile, the raw ground material containing smaller calcite particles converted into the targeted product faster than the raw ground material containing larger calcite particles. These results indicated that the particle sizes of raw materials are important for solid‐state reactions including kaolinite.
Computational fluid dynamic study of polycaprolactone nanoparticles precipitation in a co‐flow capillary micro‐tube
Authors: Ghasemzade Bariki Saeed , Salman Movahedirad , Ghojavand Majid
Published: November 2022

Polycaprolactone nanoparticles (NPs) were produced in the co‐flow glass capillary device with tip dimension. NPs size was 990 nm for continuous phase velocity, and and 426 nm for . The droplet formation process in the co‐flow microchannel was also simulated using computational fluid dynamic (CFD). Employing a digital image analysis technique, a cut‐off value of 0.81 for the dispersed phase volume fraction was proposed for the determination of droplet size. A scenario was expressed for NP formation from micro‐droplets. Moreover, after conducting 27 CFD simulations, a dimensionless exponential form correlation was proposed for droplet size estimation. In this generalized map, there were three distinct regions based on the relative capillary numbers of continuous to dispersed phases. It was revealed that at a constant dispersed phase velocity, by increasing the continuous phase velocity, more small NPs are formed. The results show that the ratio of micro‐droplets to NPs size was between 735 and 755.
Topographical organization and morphology of substance P (SP)‐immunoreactive axons in the whole stomach of mice
Authors: Ma Jichao , Mistareehi Anas , Madas Jazune , Kwiat Andrew M. , Bendowski Kohlton , Nguyen Duyen , Chen Jin , Li De‐Pei , B. Furness John , L. Powley Terry , Cheng Zixi (Jack)
Published: November 2022

Nociceptive afferents innervate the stomach and send signals centrally to the brain and locally to stomach tissues. Nociceptive afferents can be detected with a variety of different markers. In particular, substance P (SP) is a neuropeptide and is one of the most commonly used markers for nociceptive nerves in the somatic and visceral organs. However, the topographical distribution and morphological structure of SP‐immunoreactive (SP‐IR) axons and terminals in the whole stomach have not yet been fully determined. In this study, we labeled SP‐IR axons and terminals in flat mounts of the ventral and dorsal halves of the stomach of mice. Flat‐mount stomachs, including the longitudinal and circular muscular layers and the myenteric ganglionic plexus, were processed with SP primary antibody followed by fluorescent secondary antibody and then scanned using confocal microscopy. We found that (1) SP‐IR axons and terminals formed an extensive network of fibers in the muscular layers and within the ganglia of the myenteric plexus of the whole stomach. (2) Many axons that ran in parallel with the long axes of the longitudinal and circular muscles were also immunoreactive for the vesicular acetylcholine transporter (VAChT). (3) SP‐IR axons formed very dense terminal varicosities encircling individual neurons in the myenteric plexus; many of these were VAChT immunoreactive. (4) The regional density of SP‐IR axons and terminals in the muscle and myenteric plexus varied in the following order from high to low: antrum‐pylorus, corpus, fundus, and cardia. (5) In only the longitudinal and circular muscles, the regional density of SP‐IR axon innervation from high to low were: antrum‐pylorus, corpus, cardia, and fundus. (6) The innervation patterns of SP‐IR axons and terminals in the ventral and dorsal stomach were comparable. Collectively, our data provide for the first time a map of the distribution and morphology of SP‐IR axons and terminals in the whole stomach with single‐cell/axon/synapse resolution. This work will establish an anatomical foundation for functional mapping of the SP‐IR axon innervation of the stomach and its pathological remodeling in gastrointestinal diseases.
Comparability of Foslevodopa/Foscarbidopa Pharmacokinetics in Healthy Asian and White Participants
Authors: Rosebraugh Matthew , Neenan Melina , Facheris Maurizio
Published: November 2022

This phase 1 study assessed the safety, tolerability, and pharmacokinetics of a single 24‐hour continuous subcutaneous dose of foslevodopa/foscarbidopa in healthy adult Japanese (N = 24), Han Chinese (N = 8), and White (N = 24) participants. Three doses of foslevodopa/foscarbidopa were evaluated in healthy participants for this study: 480/24, 960/48, and 1440/72 mg/day. Serial blood samples for measurement of levodopa, carbidopa, foslevodopa, foscarbidopa, and 3‐O‐methyldopa concentrations were collected for 48 hours after foslevodopa/foscarbidopa administration. Safety and tolerability were assessed throughout the study. Point estimates for ratios of central values indicated that the exposure difference between Japanese and White participants was <10%. The maximum concentration and area under the plasma concentration–time curve for both LD and CD following foslevodopa/foscarbidopa continuous subcutaneous infusion were comparable between Han Chinese and White participants. Point estimates for ratios of central values indicated that the exposure difference between Han Chinese and White participants was <14%. The regimens tested were generally well tolerated, and no new safety issues were identified in this study. There were no clinically meaningful differences in LD and CD exposures or pharmacokinetics following administration of foslevodopa/foscarbidopa among White, Japanese, and Han Chinese participants.
Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations
Authors: Chakraborty Anustup , Venkatramani Ravindra
Published: November 2022

We capture and compare the polarization response of a solvated globular protein ubiquitin to static electric (E‐fields) using atomistic molecular dynamics simulations. We collectively follow E‐field induced changes, electrical and structural, occurring across multiple trajectories using the magnitude of the protein dipole vector (Pp). E‐fields antiparallel to Pp induce faster structural changes and more facile protein unfolding relative to parallel fields of the same strength. While weak E‐fields (0.1–0.5 V/nm) do not unfold ubiquitin and produce a reversible polarization, strong E‐fields (1–2 V/nm) unfold the protein through a pathway wherein the helix:β‐strand interactions rupture before those for the β1‐β5 clamp. Independent of E‐field direction, high E‐field induced structural changes are also reversible if the field is switched off before Pp exceeds 2 times its equilibrium value. We critically examine the dependence of water properties, protein rotational diffusion and E‐field induced protein unfolding pathways on the thermostat/barostat parameters used in our simulations.
Effects of Microhydration on the Mechanisms of Hydrolysis and Cl− Substitution in Reactions of N2O5 and Seawater
Authors: McCaslin Laura M. , Götz Andreas W. , Johnson Mark A. , Gerber R. Benny
Published: November 2022

The reaction of N2O5 at atmospheric interfaces has recently received considerable attention due to its importance in atmospheric chemistry. N2O5 reacts preferentially with Cl− to form ClNO2/NO3− (Cl− substitution), but can also react with H2O to form 2HNO3 (hydrolysis). In this paper, we explore these competing reactions in a theoretical study of the clusters N2O5/Cl−/nH2O (n=2–5), resulting in the identification of three reaction motifs. First, we uncovered an SN2‐type Cl− substitution reaction of N2O5 that occurs very quickly due to low barriers to reaction. Second, we found a low‐lying pathway to hydrolysis via a ClNO2 intermediate (two‐step hydrolysis). Finally, we found a direct hydrolysis pathway where H2O attacks N2O5 (one‐step hydrolysis). We find that Cl− substitution is the fastest reaction in every cluster. Between one‐step and two‐step hydrolysis, we find that one‐step hydrolysis barriers are lower, making two‐step hydrolysis (via ClNO2 intermediate) likely only when concentrations of Cl− are high.
Analytical non‐Fourier solution of linear time‐invariant circuits with periodic inputs
Authors: Safaai‐Jazi Ahmad
Published: November 2022

A systematic approach for solving linear time‐invariant electric circuits with periodic input signals is presented. The method involves the following steps: (1) The governing differential equation for the desired output is solved for each time segment of the input signal in one period, leaving the constant coefficients of the homogeneous parts of the solution as unknowns. For an nth‐order circuit with a source consisting of q segments in one period, there are
such unknown coefficients. (2) Using the solution obtained in step 1, the voltage of each capacitor and the current of each inductor are determined. (3) Transition conditions for the voltages and currents found in step 2 at the transition points of successive segments and also periodicity conditions for the beginning and end points of the period are applied. (4) Implementation of step 3 results in a system of
equations in terms of the
unknown coefficients described in step 1. Solving this system of equations, the circuit response in one period becomes readily available.
Cobalt Complexes as Efficient Cooperative Catalysts for Transfer Hydrogenation
Authors: Yadav Samanta , Prabha Divya , Ahluwalia Deepali , Bag Arijit , Gupta Rajeev
Published: November 2022

Cobalt complexes of amide‐based ligands appended with protonated heterocyclic rings are utilized as the earth‐abundant catalysts for the transfer hydrogenation of assorted carbonyl compounds using isopropanol as the hydrogen source. The most successful complex illustrated remarkable catalytic performance towards a wide range of aldehydes and ketones, quantitatively yielding primary and secondary alcohols as the products, respectively. The catalysis scope also included a few biologically relevant substrates such as furfural, vanillin, ortho‐vanillin, coumarin and chalcone. The substrate binding, Hammett, kinetic and DFT studies provided the mechanistic insights.
A hierarchical assessment of resilience engineering indicators in petrochemical industries using AHP and TOPSIS
Authors: Shirali Gh. A. , Rashnoudi P. , Salehi V. , Ghanbari S.
Published: November 2022

Resilience engineering (RE) is a proactive approach that enables complex systems to deal with adverse events and improve safety management by enhancing structural and organizational capabilities. A methodological examination of RE‐related studies showed that they had only focused on some major indicators so that subindicators have been mostly neglected. This study aims to present a hierarchical analysis to identify the importance degree of indicators and subindicators of RE using analytic hierarchy process (AHP) in a petrochemical plant. To accomplish this, a pairwise comparison matrix of the indicators and subindicators was used to collect the data required for AHP approach. To demonstrate the applicability of the AHP results, this study ranks the units of the petrochemical plant using the technique for the order of preference by similarity to an ideal solution (TOPSIS) approach based on the importance degree of RE indicators. A questionnaire was used to gather data related to RE indicators so we could use the TOPSIS method. The results of the AHP showed that management commitment, buffering capacity, and reporting culture were the most influential RE indicators. In addition, anticipation had the lowest impact on RE. The most important subindicators of the RE indicators were also identified using a hierarchical analysis through AHP. The results of TOPSIS provided a best–worst analysis of the units of the petrochemical plant. The findings of this study could help safety managers formulate better‐targeted safety policies by investing in influential indicators and subindicators of RE.
Estimation of the capacity for self-purification of transformed rivers of Khanty-Mansi Autonomous Okrug-Yugra (Russia)
Authors: Shornikova E. A. , Arslanova M. M.
Published: November 2022

This article presents an estimation of the self-purification capacity of rivers flowing through an area of the Ob River basin at Khanty-Mansi Autonomous Okrug-Yugra, which has been significantly transformed by the oil and gas industry. The research was done on the rivers of the Ob River basin in oil fields in 2003–2006 and 2018–2019. The coefficient of mineralization of organic matter has been used as a criterion of the rivers’ water self-purification levels. The mineralization coefficient was based on the ratio of numbers of bacteria consuming ammonium nitrogen and polymer substances as well as saprophytic heterotrophic bacteria. According to the results obtained, most rivers draining the oil field area (75% in 2003–2006 and 79% in 2018–2019) were characterized by a low potential for self-purification. The highest level of self-purification criteria was obtained for two rivers: the Ai-Pim River in the Surgut region and the Ovyn'yegan River in the Oktyabrsky region. The high level of self-purification detected with the coeficient of mineralization ensures the maintenance of a certain trophical level and environmental balance of the aquatic ecosystem. Complicated technological processes applied in the oil and gas industry, as well as outdated equipment and poor environmental management, often lead to pipeline accidents and other infrastructure failures. Hazardous pollutants flow into rivers from the watershed area and further into the Gulf of Ob of the Kara Sea. Continuous monitoring of water quality and water resource management based on the results obtained will constitute serious measures to prevent deterioration of aquatic ecosystems. It is necessary to include microbiological parameters in monitoring programs, as this helps to identify the processes of transformation of chemicals found in the river. The use of self-purification assessment methodology for rivers in oil field areas yields effective results in the decision-making process in the sphere of water resource management, significantly reducing ecological risks in the Ob River basin and, as a consequence, in the Arctic region. Integr Environ Assess Manag 2023;19:988–993. © 2022 SETAC
Ethnic‐specificity, evolution origin and deleteriousness of Asian BRCA variation revealed by over 7500 BRCA variants derived from Asian population
Authors: Qin Zixin , Li Jiaheng , Tam Benjamin , Sinha Siddharth , Zhao Bojin , Bhaskaran Shanmuga Priya , Huang Teng , Wu Xiaobing , Chian Jia Sheng , Guo Maoni , Kou Si Hoi , Lei Huijun , Zhang Li , Wang Xiaoyu , Lagniton Philip Naderev P. , Xiao Fengxia , Jiang Xinyang , Wang San Ming
Published: November 2022

Pathogenic variation in BRCA1 and BRCA2 (BRCA) causes high risk of breast and ovarian cancer, and BRCA variation data are important markers for BRCA‐related clinical cancer applications. However, comprehensive BRCA variation data are lacking from the Asian population despite its large population size, heterogenous genetic background and diversified living environment across the Asia continent. We performed a systematic study on BRCA variation in Asian population including extensive data mining, standardization, annotation and characterization. We identified 7587 BRCA variants from 685 592 Asian individuals in 40 Asia countries and regions, including 1762 clinically actionable pathogenic variants and 4915 functionally unknown variants (https://genemutation.fhs.um.edu.mo/Asian-BRCA/). We observed the highly ethnic‐specific nature of Asian BRCA variants between Asian and non‐Asian populations and within Asian populations, highlighting that the current European descendant population‐based BRCA data is inadequate to reflect BRCA variation in the Asian population. We also provided archeological evidence for the evolutionary origin and arising time of Asian BRCA variation. We further provided structural‐based evidence for the deleterious variants enriched within the functionally unknown Asian BRCA variants. The data from our study provide a current view of BRCA variation in the Asian population and a rich resource to guide clinical applications of BRCA‐related cancer for the Asian population.
Increasing young children's honest reports and decreasing their transgressions
Authors: Lehardy Robert K. , Luczynski Kevin C. , Stocco Corey S. , Fallon Maya J. , Rodriguez Nicole M.
Published: November 2022

Young children break rules (i.e., transgress) and then lie about those transgressions. By adolescence, lying is associated with decreased trust, communication, and quality of relationships, and with befriending antisocial peers. To decrease lies, we replicated differentially reinforcing honest reports about transgressions for one 6‐year‐old neurotypical child and two 7‐year‐old children who were diagnosed with autism spectrum disorder. After all children learned to report honestly about transgressions, we extended past research to decrease transgressions by differentially reinforcing alternative play behaviors. For all children, this resulted in increased levels of play, decreased transgressions, and continued honesty about infrequent transgressions. Caregivers were satisfied with children's increased honest reports and decreased transgressions. The results support first reinforcing children's honest reports about transgressions and then decreasing transgressions to satisfying levels for caregivers.
Effectiveness of the “pain‐free dental injection” (PaFein) teaching model in reducing children's pain: A randomized, controlled study
Authors: Kuscu Ozgur Onder , Ozcelik Selcuk Mert , Kucuktepe Coskun , Bekiroglu Nural , Akyuz Serap
Published: November 2022

Purpose

This study explores the effectiveness of a comprehensive structured teaching model – the “PaFein” – for instructing postgraduate pediatric dental residents in the provision of pain‐free local anesthesia to children.

Methods

Ten postgraduate pediatric dental residents and 172 children between the ages 5 and 13 participated in the study following ethical approval. The previously measured baselines guided the randomization of study and control groups. The study group (five residents) attended the PaFein course (9 hours). Based on power calculations, residents performed dental injections (8 mandibular block, 8 palatal/lingual and 14 buccal infiltrations) in randomly assigned child patients. Demographic data of residents/children, parental and self‐report anxiety scores and Visual Analogue Scale (VAS) pain scores were noted to examine children's anxiety and pain during dental injections.

Results

Children's mean anxiety score did not differ significantly between groups; however, VAS pain reports during dental injections (a, b, c, d) were found lower in the PaFein study group than the control group (p < 0.05). VAS pain reports for (a) buccal injections were 1.08 and 1.9 (p = 0.02); (b) inferior alveolar nerve blocks were 1.58 and 3.37 (p = 0.0002); (c) palatal/lingual injections were 1.34 and 3.02 (p < 0.0001); (d) total means were 1.28 and 2.59, respectively (p = 0.0001). VAS pain reports of anxious and non‐anxious children in the PaFein study group (1.63 and 1.17) were also lower than the control group (3.33 and 2.39) (p < 0.0001 and p = 0.005).

Conclusion

The “PaFein” teaching model was found to be effective in training dental residents to reduce dental injection pain in children, including the anxious ones.
A rare cause of jejunal perforation: Monomorphic epitheliotropic intestinal T‐cell lymphoma
Authors: Yanagi Masahiro , Komura Takuya , Kagaya Takashi
Published: November 2022

Monomorphic epitheliotropic intestinal T‐cell lymphoma (MEITL) is a very rare intestinal T‐cell lymphoma which is observed most frequently in the jejunum. MEITL is prone to cause intestinal perforation and the prognosis is very poor when it occurs. Here we report a fatal case of MEITL causing jejunal perforation at the time of diagnosis in a 79‐year‐old man. The patient underwent emergency surgery for jejunal perforation caused by MEITL but died 3 months after the initial visit due to prolonged peritonitis. It is desirable to establish a method to predict cases with intestinal perforation, and systematize the treatment strategies to avoid perforation.
Osteohistological characterization of notosuchian osteoderms: Evidence for an overlying thick leathery layer of skin
Authors: Sena Mariana Valéria de Araújo , Marinho Thiago da Silva , Montefeltro Felipe Chinaglia , Langer Max Cardoso , Fachini Thiago Schineider , Nava William Roberto , Pinheiro André Eduardo Piacentini , de Araújo Esaú Victor , Aubier Paul , de Andrade Rafael César Lima Pedroso , Sayão Juliana Manso , de Oliveira Gustavo Ribeiro , Cubo Jorge
Published: November 2022

Osteoderms are mineralized structures embedded in the dermis, known for nonavian archosaurs, squamates, xenarthrans, and amphibians. Herein, we compared the osteoderm histology of Brazilian Notosuchia of Cretaceous age using three neosuchians for comparative purposes. Microanatomical analyses showed that most of them present a diploe structure similar to those of other pseudosuchians, lizards, and turtles. This structure contains two cortices (the external cortex composed of an outer and an inner layers, and the basal cortex) and a core in‐between them. Notosuchian osteoderms show high bone compactness (>0.85) with varying degrees of cancellous bone in the core. The neosuchian Guarinisuchus shows the lowest bone compactness with a well‐developed cancellous layer. From an ontogenetic perspective, most tissues are formed through periosteal ossification, although the mineralized tissues observed in baurusuchid LPRP/USP 0634 suggest a late metaplastic development. Histology suggests that the ossification center of notosuchian osteoderm is located at the keel. Interestingly, we identified Sharpey's fibers running perpendicularly to the outer layer of the external cortex in Armadillosuchus arrudai, Itasuchus jesuinoi, and Baurusuchidae (LPRP/USP 0642). This feature indicates a tight attachment within the dermis, and it is evidence for the presence of an overlying thick leathery layer of skin over these osteoderms. These data allow a better understanding of the osteohistological structure of crocodylomorph dermal bones, and highlight their structural diversity. We suggest that the vascular canals present in some sampled osteoderms connecting the inner layer of the external cortex and the core with the external surface may increase osteoderm surface and the capacity of heat transfer in terrestrial notosuchians.
Systematic characterization of components of Makyo‐kanseki‐to granule and serum metabolomics for exploring its protective mechanism against acute lung injury in lipopolysaccharide‐induced rats
Authors: Sun Xin , Xie Yuanyuan , Qu Jialing , Yuan Dan
Published: November 2022

Makyo‐kanseki‐to has been used for the treatment of pneumonia, becoming a basic formula for coronavirus disease 2019. However, the chemical profile of Makyo‐kanseki‐to granule and its possible mechanism against acute lung injury from terminal metabolic regulation have been unclear. The aim of this study was to characterize the constituents in Makyo‐kanseki‐to granule and reveal the potential related mechanism of Makyo‐kanseki‐to granule treatment for acute lung injury using a rat model of lipopolysaccharide‐induced acute lung injury. Totally, 78 constituents were characterized based on ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry. Makyo‐kanseki‐to granule could alleviate acute lung injury through modulating rectal temperature, pulmonary edema, histopathology, and processes of inflammatory and oxidative stress. Twenty‐two potential biomarkers in acute lung injury rats were identified by metabolomics based on ultra‐performance liquid chromatography coupled with quadrupole exactive high‐field mass spectrometry. They were mainly involved in amino acids and glycerophospholipid metabolism, which were regulated by Makyo‐kanseki‐to granule. The present results not only increase the understanding of the chemical profile and molecular mechanism of Makyo‐kanseki‐to granule mediated protection against acute lung injury but also provide an experimental basis and new ideas for further development and clinical application of Makyo‐kanseki‐to granule.
Summer elk calf survival in a partially migratory population
Authors: Berg Jodi E. , Eacker Daniel R. , Hebblewhite Mark , Merrill Evelyn H.
Published: November 2022

Decomposing variation in juvenile recruitment is a key component of understanding population dynamics for partially migratory ungulates. We investigated reproductive parameters of adult female elk (Cervus canadensis) with calves at heel, and survivorship, cause‐specific mortality, and intrinsic and extrinsic factors affecting risk of mortality for calves in a partially migratory elk population from 2013–2016 in Alberta, Canada. Elk calves born to resident mothers had 45% lower survivorship on average compared to migrant calves (0.24 vs. 0.69) and nearly twice the mortality rate (0.37 vs. 0.19) from bears (Ursus spp.), the dominant source of mortality. Contrary to our predictions, we found that increasing levels of maternal ingesta‐free body fat were associated with increasing risk of calf mortality, indicating predation may have overwhelmed nutritional effects. We found no evidence that timing of calf birth or birth weight differed between migratory tactics or influenced mortality risk. We found that as percentage of cut forest increased, risk of calf mortality marginally decreased, which benefited migrant elk that were exposed to more clear‐cuts compared to residents. Exposure to bear predation risk was unimportant during the hiding phase (≤10 days after birth) for either migratory tactic, presumably because neonatal hiding behavior reduced vulnerability. In contrast, bear predation risk was important for mortality risk after 10 days in age, especially for resident elk calves, which were exposed to higher bear predation risk compared to migrants. We conclude that relative differences in bear predation between migratory tactics are contributing to the dynamics of partial migration in this population through additive effects on calf mortality. Thus, wildlife managers should anticipate that recovering grizzly bear (U. arctos) populations may substantially lower elk recruitment through effects on summer calf survival, especially in areas with diverse carnivore assemblages.