bluuebunny/crossref_metadata_2025 huggingface dataset:
Niobium pentaoxide (Nb2O5) as an efficient photocatalyst for photocatalytic degradation of rhodamine-B
Authors: Topare Niraj S. , Khan Anish , Khedkar Satish V. , Bokil Shantini A.
Published: December 2022

One of the most important problems that the world is currently facing in terms of its impact on the environment is figuring out how to properly manage textile effluents. Photocatalysis has been shown to be successful in the removal of intractable chemicals and is regarded as a viable wastewater treatment technology. This work focused on the photocatalytic degradation of rhodamine-B (RB) in an aqueous solution, as well as the photocatalytic behavior of niobium pentaoxide (Nb2O5) as a photocatalyst was tested. It is important to note that good photocatalytic efficiency is highly dependent on the operating conditions. There are several process parameters that influence RB photocatalytic degradation, including the amount of photocatalyst (Nb2O5) used, the concentration of RB at the start of the reaction, and the pH of the solution optimized under visible-light irradiation. According to the findings, the conditions in which the greatest amount of RB was degraded were those in which the concentration of the catalyst was 10 mg/l, the dosage of the catalyst was 1 mg/l, and the pH was 11. The results also revealed that after utilizing the catalyst three times in a row, catalyst efficiency was maintained, and the degradation rate was maintained at a greater level.
Anammox process for aquaculture wastewater treatment: operational condition, mechanism, and future prospective
Authors: Ismail Ismafatin Nabilah , Taufik Muhammad , Umor N. A. , Norulhuda Mohamed Ramli , Zulkarnaini Zulkarnaini , Ismail Shahrul
Published: December 2022

Treatment of ammonia- and nitrate-rich wastewater, such as that generated in the aquaculture industry, is important to prevent environmental pollution. The anaerobic ammonium oxidation (anammox) process has been reported as a great alternative in reducing ammoniacal nitrogen concentration in aquaculture wastewater treatment compared to conventional treatment systems. This paper will highlight the impact of the anammox process on aquaculture wastewater, particularly in the regulation of ammonia and nitrogen compounds. The state of the art for anammox treatment systems is discussed in comparison to other available treatment methods. While the anammox process is viable for the treatment of aquaculture wastewater, the efficiency of nitrogen removal could be further improved through the proper use of anammox bacteria, operating conditions, and microbial diversity. In conclusion, a new model of the anammox process is proposed in this review.
Electron beam treatment for the removal of 1,4-dioxane in water and wastewater
Authors: Pearce Robert , Li Xi , Vennekate John , Ciovati Gianluigi , Bott Charles
Published: December 2022

Electron beam (e-beam) treatment uses accelerated electrons to form oxidizing and reducing radicals when applied to water without the use of external chemicals. In this study, electron beam treatment was used to degrade 1,4-dioxane in several water matrices. Removal improved in the progressively cleaner water matrices and removals as high as 94% to 99% were observed at a dose of 2.3 kGy in secondary effluent. 1,4-dioxane removal was confirmed to be primarily through hydroxyl radical oxidation. The calculated electrical energy per order was found to be 0.53, 0.26, and 0.08 kWh/m3/order for secondary effluent (Avg. total organic carbon (TOC) 9.25 mg/L), granular activated carbon effluent (TOC 3.46 mg/L), and ultrapure water, respectively, with a 70% generation and transfer efficiency applied.
Calcium and Sodium-mediated Dynamic Assembly of Intermediate Filament-like Protein FilP
Authors: Chen Ximing , Sun Xiuxia , Fu Caihong , Zhang Shanshan , Yang Fan
Published: December 2022

Background:

Cytoskeletal elements play key roles in cell morphology, cell division, cell mobility, and DNA partitioning in all domains of life. The IF-like protein FilP was discovered in Streptomyces coelicolor, and it was found to perform a structurally important cytoskeletal role by providing direct mechanical support for the cells.

Objective:

This work investigated the factors influencing FilP polymerization under a variety of conditions.

Methods:

DLS technique was applied to real-time monitor the in vitro assembly process of Streptomyces coelicolor FilP.

Results:

The presence of small amounts of divalent cations, such as CaCl2 or MgCl2, enhanced the polymerization of FilP, while higher amounts suppressed its polymerization. Moreover, high concentrations of NaCl, KCl, NH4Cl, and KNO3 both suppressed the polymerization of FilP. EDTA was found to have a very prohibitive effect on FilP polymerization, and even the following addition of Ca2+ could not initiate the assembly of FilP. FilP polymerized under a range of pHs ranging from pH 6 to pH 8, while the polymerization degree was sensitive to pH. FilP formed network-like, striated filaments at neutral pH, while the filaments became more disordered or loosely packed at pH 8 and pH 6, respectively.

Conclusion:

FilP assembly is calcium-mediated. Ca2+ is not only required for FilP polymerization, but also required for FilP to maintain the higher-order polymer structure. The accelerative effect of Ca2+ and the suppressive effect of Na+ persisted under a wide range of conditions, suggesting that FilP might use calcium and sodium ions as a general mechanism to mediate its polymerization process.
Cellular Functional, Protective or Damaging Responses Associated
with Different Redox Imbalance Intensities: A Comprehensive
Review
Authors: del Campo Andrea , Valenzuela Rodrigo , Videla Luis Alberto , Zúñiga-Hernandez Jessica
Published: December 2022

Reactive species (RS) are produced in aerobic and anaerobic cells at different
concentrations and exposure times, which may trigger diverse responses depending on
the cellular antioxidant potential and defensive devices. Study searches were carried out
using the PubMed database of the National Library of Medicine-National Institutes of
Health. Cellular RS include reactive oxygen (ROS), nitrogen (RNS), lipid (RLS) and
electrophilic species that determine either cell homeostasis or dysfunctional biomolecules.
The complexity of redox signalling is associated with the variety of RS produced,
the reactivity of the target biomolecules with RS, the multiplicity of the counteracting
processes available, and the exposure time. The continuous distortion in the prooxidant/
antioxidant balance favoring the former is defined as oxidative stress, whose intensity
determines (i) the basal not harmful unbalance (oxidative eustress) at RS levels in
the pM to nM range that supports physiological processes (e.g., immune function, thyroid
function, insulin action) and beneficial responses to external interventions via redox
signalling; or (ii) the excessive, toxic distortion (oxidative distress) at RS levels exceeding
those in the oxidative eustress zone, leading to the unspecific oxidation of biomolecules
and loss of their functions causing cell death with associated pathological
states. The cellular redox imbalance is a complex phenomenon whose underlying mechanisms
are beginning to be understood, although how RS initiates cell signalling is a matter
of debate. Knowledge of this aspect will provide a better understanding of how RS
triggers the pathogenesis and progression of the disease and uncover future therapeutic
measures.
Identification of the Key Active Pharmaceutical Ingredients of Yishen
Qutong Granule, A Chinese Medicine Formula, In The Treatment of Primary
Lung Cancer
Authors: Chen Jiayang , Feng Li , Jin Wei , Chang Jinyuan , Li Jie , Li Hao
Published: December 2022

Background:

Lung cancer (LC) is the leading cause of cancer-related deaths worldwide. Traditional Chinese medicine (TCM) reportedly has potential therapeutic effects against LC.

Objective:

This study aimed to investigate the antitumor efficacy of Yishen Qutong granule (YSQTG) in primary LC treatment, to identify its key active pharmaceutical ingredients (APIs), and to explore its possible mechanism of action.

Methods:

The antitumor role of YSQTG was validated via cell function assays and a xenograft tumor model. Then, high-performance liquid chromatography-mass spectrometry (HPLC–MS) was performed to determine the objective precipitation components of YSQTG, followed by target prediction through reference to databases. Subsequently, the proportion of the predicted targets that underwent actual changes was identified via RNA-sequencing. Enrichment analysis was performed to explore the possible mechanisms of action. Hub genes were screened, and western blotting was used to verify their protein expression levels to identify the core target. Molecular docking between the active compounds and the verified core target was performed, combined with an evaluation of the potential efficacy of candidate compounds using meta-analysis to screen the candidate key APIs.

Results:

Experiments confirmed that YSQTG could inhibit LC cell proliferation, induce apoptosis in vitro, and inhibit lung tumor growth in vivo. HPLC-MS, RNA-seq, and enrichment analysis showed that oxidative stress-related pathways were the possible mechanism of YSQTG in primary LC treatment. Western blot verification indicated that heme oxygenase 1 (HMOX1, HO-1) could be the core target. Molecular docking and meta-analysis suggested that genistein and quercetin were the candidate key APIs.

Conclusion:

YSQTG and its active ingredients, genistein and quercetin, may have therapeutic effects against LC through their action on the downregulation of oxidative stress-related HMOX1 protein expression.
Influence of Zhuanggu Guanjie Pill on Seven Cytochrome P450 Enzymes Based on
Probe Cocktail and Pharmacokinetics Approaches
Authors: Chai Yuan-Yuan , Xu Yun-Xia , Xia Zi-Yin , Li An-Qin , Huang Xin , Zhang Lu-Yong , Jiang Zhen-Zhou
Published: December 2022

Background:

The use of herbal medicines has tremendously increased over the past few decades. Case
reports and controlled clinical investigations of herbal-drug interactions have been reported. Since Cytochrome P450
(CYP) enzymes play an important role in drug interactions. The evaluation of the influence of herbal medicines on
the activities of CYPs is beneficial to promote scientific and rational clinical use of herbal medicines.

Objective:

Herein, we aimed to develop and validate a method to simultaneously quantify seven CYP cocktail probe
drugs consisting of phenacetin (PNC), bupropion (BPP), losartan potassium (LK), omeprazole (OMP), dextromethorphan
(DM), chlorzoxazone (CZZ) and midazolam (MDZ) and their respective metabolites in a single acquisition
run and use this method to evaluate the influence of Zhuanggu Guanjie Pill (ZGGJP) on seven CYPs.

Methods:

A cost-effective and simple UHPLC-(±)ESI-MS/MS method for simultaneous determination of seven
probe drugs and metabolites in rat plasma was developed and validated. Male and female rats were randomly divided
into three groups and treated with 1.2 g/kg/d ZGGJP, 5 g/kg/d ZGGJP and 0.5% CMC-Na for 14 consecutive days.
After 24 h of the last administration, all rats were administrated orally with probe drugs. The influence of ZGGJP on
the CYPs was carried out by comparing the metabolic ratio (Cmax, AUC0-t) of metabolites/probe drugs in rats.

Results:

The calibration curves were linear, with correlation coefficient > 0.99 for seven probe drugs and their corresponding
metabolites. Intra- and inter-day precisions were not greater than 15% RSD and the accuracies were within
±15% of nominal concentrations. The ZGGJP showed significant inductive effect on CYP1A2, CYP2B6, CYP2C9
and CYP3A in male and female rats.

Conclusion:

ZGGJP had inductive effects on CYP1A2, CYP2B6, CYP2C9 and CYP3A in male and female rats.
Acid-sensing Ion Channels: Implications for Intervertebral Disc
Degeneration
Authors: Zhang Hai-hong , Ran Rui , Wu Yi
Published: December 2022

Intervertebral disc degeneration (IDD) is the leading cause of lower back pain and seriously
affects the quality of life of patients. The intervertebral disc (IVD) is an environment of hypoxia,
ischemia, acidity, and hypertonicity. Matrix acidity potentially negatively affects gene expression,
activity, proliferation, and apoptosis of IVD cells. Acid-sensing ion channels (ASICs) are
a group of proton-gated ion channels that play important roles in physiological and pathological
conditions. The distribution of ASICs in the nucleus pulposus (NP), annulus fibrosus, cartilage endplate,
and nucleus pulposus mesenchymal stem cells (NP-MSCs), as well as the special functions of
ASIC1a and ASIC3, show that ASICs play an important role in IDD. In this review, we comprehensively
discuss the roles of ASICs in the development and basic pathology of IDD and their potential
relevance as therapeutic targets. A deeper understanding of the roles of ASICs in these processes
may provide novel therapeutic targets for IDD prevention and treatment.
Epigenetic Regulator ASXL2: Structure, Function and its Predictive Value
in Diseases
Authors: Dong Chunming , Li Mengru , Xu Lijun , Zhang Rui
Published: December 2022

ASXL2, as a transcription regulator, is a research hotspot for tumor detection. The aberrant expression of ASXL2 protein has been mainly implicated in malignant hematological and heart diseases. To further explore the predictive value of ASXL2 in diseases, we reviewed the structure and function of ASXL2 protein, the post-translational modification mechanism, and the expression of ASXL2 protein in the pathogenesis of different diseases to provide a theoretical basis and support for the development of future treatments.
The Roles of IGF-1 and MGF on Nerve Regeneration under Hypoxia-
Ischemia, Inflammation, Oxidative Stress, and Physical Trauma
Authors: Sha Yongqiang , Wang Chunli , Chen Liping , Xu Chunming , Zhang Beibei , Hong Huhai
Published: December 2022

Nerve injuries and lesions often lead to the loss of neural control, reducing the patients’ quality of life. Nerve self-repair is difficult due to the low regeneration capacity, insufficient secretion of neurotrophic factors, secondary complications, and adverse microenvironmental conditions such as severe hypoxia-ischemia, inflammation, and oxidative stress. Effective therapies that can accelerate nerve regeneration have been explored. Cytokine therapy can significantly improve neural survival and myelin regeneration during nerve repair. Insulin-like growth factor-1 (IGF-1) and its isoforms (IGF-1Ea and IGF-1Eb/Ec [also known as MGF]) represent a promising therapeutic approach regarding nerve repair, given their well-described proliferative and anti-apoptotic capacities on neurons withstanding the adverse environmental conditions. This review summarizes the research progress regarding the effects of IGF-1 and its isoforms on nerve repair after nerve injury, hypoxic-ischemic insult, inflammation, and oxidative stress. We provide a theoretical basis for the clinical treatment of nerve injuries.
Superoxide Dismutase Inhibitors against Malaria, Leishmaniasis, and
Chagas Disease: Systematic Review
Authors: dos Santos Junior Manoelito Coelho , Carneiro Araújo Janay Stefany , de Mattos Oliveira Larissa , de Andrade Kaio Vinícius Freitas , Guimarães Benevides Raquel , Andrade Leite Franco Henrique
Published: December 2022

Introduction:

Diseases caused by protozoa are one of the leading causes of death world-wide, especially in tropical regions such as Brazil. Chagas disease, leishmaniasis, and malaria are responsible for around 234 million cases and more than 400,000 deaths worldwide. Despite this scenario, drugs for these diseases have several limitations, which justifies the search for new treat-ments. Iron superoxide dismutase is a promising target for the drug design to treat patients with these diseases. It is a validated target and protects against oxidative stress.

Aim:

Thus, this systematic review aimed to synthesize evidence on the importance of superoxide dismutase in the drug design to treat patients with this protozoosis.

Method:

A search was performed for in vitro and in vivo studies, without publication and language restrictions, in MEDLINE (PubMed), LILACS (BVS), Science Direct, and EMBASE (Elsevier). Studies that pointed to the relationship between the reduction or increase in superoxide dismutase activity and the diseases were included. 23 studies were selected for the qualitative synthesis.

Result:

The results showed that the inhibition or reduction of the enzyme activity decreases the de-gree of infection and reinfection and improves the results in treating these diseases. In contrast, the increase in activity caused a high degree of survival and resistance of the parasites.

Conclusion:

However, the overall quality of evidence is low and more studies with methodological rigor are provided.
US-FDA Approved Drugs in 2020 and 2021: A Review
Authors: Passi Indu , Salwan Sushant , Kumar Bhupinder
Published: December 2022

Introduction:

Throughout the years, the disruption caused by COVID-19 continues to pose
an excess of challenges for the pharmaceutical industry. Throughout the entire year, questions were
raised that does COVID-19 have a negative impact on new drug approvals. However, the answer to
those questions was a ‘big no’.

Methods:

We propose a compilation and analysis of around 100 medications, including small new
molecular entities (NMEs), approved by the US Food and Drug Administration for the years 2020 and
2021. Novel drug discovery is crucial for pharmaceutical research and development as well as patient
care. The only possible way to achieve this crucial goal is to repurpose current medications that may
have anticipated effects as possible candidates. The availability of new drugs and biological products
often means new treatment options for patients and advances in health care

Results:

Around 40% of the drugs were approved for various types of cancers. Other major therapeutic
areas that were focused on were neurological products (around 17%), infectious diseases (13-15%),
and cardiovascular disorders (7-8%). Various new products were approved for rare diseases (58-60%).
This study aimed to discover a pattern in FDA medicine approvals during the last two decades.

Conclusion:

This data shows that anticancer medicines and biologics are receiving increased attention
in research. With a bigger number of biologically derived medications being produced, the price could
rise much higher. FDA should embrace innovative techniques that will stimulate the industry to enhance
research and development of novel compounds or medications that can deliver considerable
improvements over existing ones. To put it briefly, FDA had to update our approach to regulation as a
whole in order to effectively develop the types of technologies that are becoming available. Modernizing
medical product review programmes is a part of this. These initiatives are part of the Medical Innovation
Access Plan.
Geiparvarin Inhibits the Progression of Osteosarcoma by Down-regulating
COX2 Expression
Authors: Chen Shu , Zou Hua , Wang Bin , Du Jia , Zhang Zhiming , Huang Ping
Published: December 2022

Background:

Geiparvarin (GN) is a natural compound isolated from the leaves of Geijera parviflora and exhibits anticancer activity. Nevertheless, little is known about its anticancer mechanism and anti-osteosarcoma (OS) effects.

Aim:

This study explored whether GN effectively inhibits the growth and metastasis of osteosarcoma (OS) through a series of in vitro and in vivo experiments.

Methods:

Cell proliferation was measured by colony formation and MTT assays, and cell invasion was detected by Transwell assay. Flow cytometry and caspase-3 activity assays were carried out to examine cell apoptosis, and western blot analysis was performed to assess protein expression. In the animal experiments, the changes in relevant indexes were determined by immunohistochemistry and tumor vessel imaging.

Results:

Animal experiments showed that GN treatment significantly inhibited the growth and lung metastasis of OS, accompanied by increased apoptosis. In addition, GN treatment notably diminished COX2 expression and angiogenesis in OS. Moreover, COX2 overexpression nullified GN-induced decline in angiogenesis, growth, and lung metastasis and increased apoptosis in OS. Of note, the body weight of mice was enhanced after GN treatment, and the pathological examination manifested that GN treatment did not cause any damage to major organs.

Conclusion:

Our data indicated that GN might depress the growth, metastasis, and angiogenesis of OS by decreasing COX2 expression, suggesting GN is a favorable candidate drug for OS treatment without side effects. Hence, it can be concluded that geiparvarin inhibits OS progression by reducing COX2 expression.
Review on the Developments of Benzothiazole-containing Antimicrobial Agents
Authors: Haroun Michelyne
Published: December 2022

The infectious diseases caused by bacterial resistance to antibiotics constitute an increasing threat to human health on a global scale. An increasing number of infections, including tuberculosis, pneumonia, salmonellosis and gonorrhea, are becoming progressively challenging to cure owing to the ineffectiveness of current clinically used antibiotics and presents a serious health threat worldwide in medical community. The major concern of this global health threat is the ability of microorganisms to develop one or several mechanisms of resistance to antibiotics, making them inefficient to therapeutic treatment. The quest for discovering novel scaffold with antimicrobial property is particularly in great need to face future challenges in hospital and healthcare settings. Hence, the development of benzothiazoles is of considerable interest to medicinal chemists. Benzothiazole, being part of an important class of heterocyclic scaffold retains a wide spectrum of various attractive pharmacological activities. Antibiotic resistance represents an increasing burden comprising medical cost, hospital stay and mortality. Several derivatives containing a benzothiazole scaffold, reported in the literature, were found to display remarkable potencies towards diverse Gram-positive and Gram-negative bacterial pathogens. The principal focus concerns the antibacterial potential of benzothiazole-based derivatives as antimicrobial agents interacting with targets in bacterial pathogens. In this review, we also disclose the significance of the benzothiazole moiety in the discovery of new antibacterial compounds, the potential of benzothiazole-based derivatives in the case of resistant bacterial strains, optimization of their antibacterial activity, and their future perspectives. The structure-activity relationship study and the mode of action of the title derivatives are highlighted too.
Enhancing Psychological Interventions for Post-Traumatic Stress Disorder
(PTSD) Treatment with Memory Influencing Drugs
Authors: Marchetta Enrico , Mancini Giulia F. , Morena Maria , Campolongo Patrizia
Published: December 2022

Post-traumatic stress disorder (PTSD) is a chronic psychiatric disease resulting from the
experience or witnessing of traumatic events. Persistent PTSD symptoms impair patients’ daily quality
of life, jeopardizing sleep, mood, sociability, and arousal. Recommended psychological or pharmacological
interventions are effective only in a small portion of patients and often lead to relapse. Thus,
there is a critical need to address a lack of advancement in the treatment of PTSD. The combination of
psychological interventions, aimed at facilitating the extinction of the traumatic memory, and pharmacological
medications, represents a promising tool for PTSD treatment. Timely use of psychotherapy
in conjunction with pharmacological treatments, rather than monotherapy, could thus determine a synergistic
effect by potentiating the effects of psychological interventions. In such a scenario, drugs that
modulate cognitive processes involved in the development and/or persistence of post-traumatic symptomatology
could be of great help to improve the outcome of psychotherapies and patients' prognosis.
The purpose of the present article is to review the current data available from clinical trials on combined
pharmacological treatments with psychological interventions in PTSD therapy. An overview of
findings from animal studies that prompted clinical research is also discussed.
Role of Microglia in Psychostimulant Addiction
Authors: da Silva Maria Carolina Machado , Iglesias Lia Parada , Candelario-Jalil Eduardo , Khoshbouei Habibeh , Moreira Fabrício Araujo , de Oliveira Antônio Carlos Pinheiro
Published: December 2022

The use of psychostimulant drugs can modify brain function by inducing changes in the reward
system, mainly due to alterations in dopaminergic and glutamatergic transmissions in the mesocorticolimbic
pathway. However, the etiopathogenesis of addiction is a much more complex process.
Previous data have suggested that microglia and other immune cells are involved in events associated
with neuroplasticity and memory, which are phenomena that also occur in addiction. Nevertheless,
how dependent is the development of addiction on the activity of these cells? Although the mechanisms
are not known, some pathways may be involved. Recent data have shown psychoactive substances
may act directly on immune cells, alter their functions and induce various inflammatory mediators
that modulate synaptic activity. These could, in turn, be involved in the pathological alterations
that occur in substance use disorder. Here, we extensively review the studies demonstrating how cocaine
and amphetamines modulate microglial number, morphology, and function. We also describe the
effect of these substances in the production of inflammatory mediators and a possible involvement of
some molecular signaling pathways, such as the toll-like receptor 4. Although the literature in this
field is scarce, this review compiles the knowledge on the neuroimmune axis that is involved in the
pathogenesis of addiction, and suggests some pharmacological targets for the development of pharmacotherapy.
Virtual Screening of Telaprevir and Danoprevir Derivatives for Hepatitis C Virus NS3/4A Protease Inhibitors
Authors: Sarkar Kaushik , Das Rajesh Kumar
Published: December 2022

Background:

The NS3/4A protease is a common target for inhibiting hepatitis C virus (HCV)
infection. Telaprevir and danoprevir have promising activity in combating these virus-associated infections
and are used as HCV protease inhibitors.

Objective:

In this study, we have found different tested derivative compounds for developing various
HCV NS3/4A protease inhibitors by designing the chemical structures of telaprevir and danoprevir.

Methods:

In silico studies were carried out to find better drug candidatures from these derivative compounds.
The docking studies were performed on HCV NS3/4A protease receptors (PDB: 3SV6 & 5EQR)
using Autodock vina. DFT, global reactivity, ADME (Absorption, distribution, metabolism & excretion),
and toxicity analysis were also performed for these designed compounds. The stability of the proteinligand
complexes was quantified by MD simulation and MMPBSA studies.

Results:

16 derivatives (four as telaprevir and twelve as danoprevir) have satisfied higher binding affinity
of interaction with NS3/4A protease, compared to telaprevir and danoprevir. These compounds have also
passed all rules of drug candidature to serve as the best HCV inhibitors.

Conclusion:

These 16 ligands can be effective inhibitors against HCV NS3/4A protease. These ligands
must obey the drug candidate behavior by in vitro and in vivo analysis to inhibit HCV infection.
Comparative QSAR Modeling for Predicting Anticancer Potency of
Imidazo[4,5-b]Pyridine Derivatives Using GA-MLR and BP-ANN Techniques
Authors: Jafari Mahdi , Isfahani Tahereh Momeni , Shafiei Fatemeh , Senejani Masumeh Abdoli , Alimoradi Mohammad
Published: December 2022

Background:

Prediction of toxicity of imidazo[4,5-b]pyridine derivatives is carried out using
GA-MLR and BPANN methods.

Objective:

A quantitative structure-property relationship (QSPR) was determined based on methods, including
genetic algorithm-multiple linear regression (GA-MLR) and backpropagation artificial neural
network (BP-ANN). These methods were employed for modeling and predicting the anticancer potency
of imidazo[4,5-b]pyridine derivatives.

Materials and Methods:

A dataset of imidazo[4,5-b]pyridine derivatives was randomly divided into two
groups, training and test sets consisting of 75% and 25% of data points, respectively. The optimized conformation
of compounds was obtained using the DFT-B3LYP method and 6-31G* basis sets level with
Gaussian 09 software. A large number of molecular descriptors were calculated using Dragon software.
The QSAR models were optimized using multiple linear regressions (MLR).

Results:

The most relevant molecular descriptors were obtained using the genetic algorithm (GA) and
backward stepwise regression. The predictive powers of the GA-MLR models were studied using leaveone-
out (LOO) cross-validation and an external test set.

Conclusion:

The obtained results of statistical parameters showed the BP-ANN model to have better
performance compared to the GA-MLR model.
To assess the predictive ability of QSAR models, many statistical terms, such as correlation coefficient
(R2), leave-one-out cross-validation (LOOCV), root mean squared error (RMSE), and external and internal
validation were used. The results of validation methods demonstrate the QSAR model to be robust
and with high predictivity.
The Patent Landscape of Polyhydroxyalkanoates Production by
Algae and Cyanobacteria
Authors: Procópio Dielle Pierotti , Cardoso Letícia Oliveira Bispo , Borrego Bruna Bacaro , Gracioso Louise Hase , Oller Nascimento Claudio Augusto , Perpetuo Elen Aquino , Stevani Cassius Vinicius , Freire Renato Sanches
Published: December 2022

Background:

As global awareness regarding climate change and environmental
pollution outcomes arise, eco-friendly and negative emission technologies emerge.

Methods:

In this scenario, polyhydroxyalkanoate (PHA)-accumulating microorganisms
play an important role in the transition from the petrochemical-based non-biodegradable
polymer to renewable, eco-friendly, and biocompatible materials. More specifically, CO2
can be converted to biopolymers through photosynthesis by cyanobacteria and algae, posing
as a promising technology for renewable material, CO2, and petroleum-dependence
mitigations. However, although many microorganisms can accumulate PHA intracellularly,
limitations persist, such as the elevated cost and limited market availability.

Results:

Herein is presented a patent-based mapping on technological trends of PHAs production,
including its production by microalgae and cyanobacteria using the Questel Orbit
Intelligence software (version 1.9.8) in complement with the Espacenet Patent Search database.

Conclusion:

The inquiry on PHAs retrieved 34,243 patents filed since 1912, whereas 156
are related to their specific production by photosynthetic microorganisms, evidencing a
prospective market for intellectual property.
Application of Ion Exchange Resins in Protein Separation and Purification
Authors: Basumallick S.
Published: December 2022

Separation and purification of proteins obtained from natural sources is a really challenging job. This chapter aims to discuss various aspects of separation and purification of proteins by ion exchange chromatographic method. Emphasis has been given on understanding the basic principles and different factors that govern the efficiency and commercial applications of separation of protein obtained by this method.
Are capabilities just recipient oriented? An argument in favour of the capability to work, and of UBI to protect it
Authors: Rajão Hugo
Published: December 2022

Under the capability approach, a theory of justice should be capability-based. However, it has been noted that ‘capabilitarian’ theories are solely recipient-oriented. This discrepancy could be solved by people having access to the capabilities for a good life, provided that they contribute by sharing the burdens of cooperation. Nevertheless, the obligation to contribute is liable to come into conflict with the very notion of ‘capability’. This paper proposes a solution to address this apparent conflict. Since a person’s capabilities for a good life are conditional on her obligation to contribute, the key to ensuring the robustness of such capabilities is to make sure that the capability to work, on which they rely, is itself sufficiently robust. In this sense, it is argued, on the one hand, that the best way to reinforce the robustness of the capability to work is to distribute it through unconditional access to work that meets a minimum threshold of decency. On the other hand, it is argued that the most effective policy to this end results from the combination of employment guarantee policies with an unconditional basic income (UBI).
Three kinds of self-respect in Rawls
Authors: Crego Jorge
Published: December 2022

Rawls’s remarks on self-respect have been described as cryptic or ambiguous. The discussion on the meaning of respect and, specifically, Rawlsian self-respect has been considerably influenced by Darwall’s distinction between recognition respect and appraisal respect. This paper defends that Darwall’s dichotomic misses an important dimension of Rawlsian self-respect which can be termed “value-confidence”. This third kind of self-respect concerns one’s confidence in the value of the particular conception of the good one has chosen. Value-confidence differs from recognition self-respect, even if both dimensions are intimately connected. The distinction between recognition self-respect and value-confidence resembles the dual nature of moral personality in Rawls and the different roles of basic institutions and communities of interests.
Синтез карбида бора электродуговым методом в открытой воздушной среде из углерода различного происхождения
Authors: Мартынов Р.С. , Пак А.Я. , Мамонтов Г.Я. , Волокитин О.Г. , Янковский С.А. , Гумовская А.А. , Поваляев П.В. , Болатова Ж.
Published: December 2022

The paper presents the results of experimental studies on the implementation of electric arc synthesis of boron carbide using carbon with different morphology and origin as a feedstock: carbon fibers, flake graphite, carbon obtained by pyrolysis of plant waste, namely, pine sawdust and cedar nuts husks. A feature of the electric arc method used is its implementation using an original plasma reactor using atmospheric air as a working gas medium. Oxidation of feedstock and synthesis products in the working cycle of the reactor is prevented due to the generation of CO and CO2 gases in the reaction zone. The possibility of obtaining a material containing micron and submicron boron carbide crystals in a graphite matrix has been experimentally shown. Also, the paper presents information about the features of the oxidation processes of the obtained materials in comparison with commercial samples of boron carbide.
Зондовое in situ измерение параметров плазмы при нанесении покрытий бора магнетронным методом
Authors: Гушенец В.И. , Бугаев А.С. , Визирь А.В. , Окс Е.М. , Николаев А.Г. , Юшков Г.Ю.
Published: December 2022

The features of the probe technique are described and the results of measuring the parameters of plasma generated by a planar magnetron sputtering system with a pure boron target during coating deposition are presented. A feature of probe measurements was the use of heating the collecting surface of a single Langmuir probe. Heating led to a decrease in the electrical resistance of the boron film on the surface, which made it possible to carry out in situ probe measurements of the magnetron discharge plasma parameters during the entire process of boron coating.
Особенности электрического сопротивления сплавов Co-Fe-Si-B-Nb-РЗМ в аморфном и кристаллическом состояниях
Authors: Сидоров В.Е. , Русанов Б.А. , Петрова С.А. , Сон Л.Д. , Ладьянов В.И. , Швец П. , Яничкович Д.
Published: December 2022

Electrical resistivity of Co48Fe25Si4B19Nb4 amorphous alloy and with small additions of rare-earth metals (R = Nd, Sm, Tb, Yb) was studied using the AC four-probe method. It was found that these alloys have a specific behavior of electrical resistivity after crystallization - temperature dependences of resistivity at cooling are non-linear and can be fitted as lnR ~ T-1/4.
О формировании траектории оси лазерного излучения в дифференциальной кювете Андерсона
Authors: Гольдберг А.А. , Давыдов Р.В. , Кочетков И.Д. , Давыдов В.В. , Проводин Д.С.
Published: December 2022

The necessity of studying the nature of the propagation of the maximum of the laser radiation pattern in the Anderson differential cell is substantiated. A new technique has been developed for conducting these studies, which takes into account all factors when constructing the trajectory of the maximum laser radiation in the cuvette, as well as outside it (up to the sensor of the photodiode line, on which the radiation is recorded). For the first time, an equation was derived to study the change in the nature of the propagation trajectory of the maximum of laser radiation in the Anderson cell, and beyond it, depending on its various parameters, the values of the refractive indices of the reference ns and the liquid medium under study, nm. The results of checking the reliability of the developed equation are presented. For the first time, a 12th degree polynomial was obtained for Anderson's differential cell with respect to the refractive index of the medium under study to obtain an analytical solution of the developed equation. This solution will provide additional information about the physics of the processes under consideration and the relationships between different quantities.
Интегральная оценка опасности воздействия последовательности сверхширокополосных электромагнитных импульсов на организм человека
Authors: Усыченко В.Г. , Сорокин Л.Н.
Published: December 2022

Impact peril for warm-blooded organisms produced via sequence by ultra-wideband electromagnetic sub-nanosecond pulses, used in various scientific and technological applications, is assessed by radiophysics and classic mechanics calculated methods. Threshold values of the sequence parameters whose excess for a long time can become perilous for human have been determined.
eHealth Literacy and Patient Portal Use and Attitudes: Cross-sectional Observational Study
Authors: Deshpande Nikita , Arora Vineet M , Vollbrecht Hanna , Meltzer David O , Press Valerie
Published: December 2022

Background

Throughout the COVID-19 pandemic, patient portals have become more widely used tools of patient care delivery. However, not all individuals have equivalent access or ability to use patient portals.

Objective

The aim of this study is to evaluate the relationships between eHealth literacy (eHL) and patient portal awareness, use, and attitudes among hospitalized patients.

Methods

Inpatients completed patient portal surveys; eHL was assessed (eHealth Literacy Scale). Multivariable logistic regression analyses adjusted for age, self-reported race, gender, and educational attainment were completed with significance at P<.006 (Bonferroni correction).

Results

Among 274 participants, most identified as Black (n=166, 61%) and female (n=140, 51%), mean age was 56.5 (SD 16.7) years, and 178 (65%) reported some college or higher educational attainment. One-quarter (n=79, 28%) had low eHL (mean 27, SD 9.5), which was associated with lower odds of portal access awareness (odds ratio 0.11, 95% CI 0.05-0.23; P<.001), having ever used portals (odds ratio 0.19, 95% CI 0.10-0.36; P<.001), less perceived usefulness of portals (odds ratio 0.20, 95% CI 0.10-0.38; P=.001), and lower likelihood of planning to use portals in the coming years (odds ratio 0.12, 95% CI 0.06-0.25; P<.001). As time through the COVID-19 pandemic passed, there was a trend toward increased perceived usefulness of patient portals (53% vs 62%, P=.08), but average eHL did not increase through time (P=.81).

Conclusions

Low eHL was associated with less awareness, use, and perceived usefulness of portals. Perceived usefulness of portals likely increased through the COVID-19 pandemic, but patients’ eHL did not. Interventions tailored for patients with low eHL could ensure greater equity in health care delivery through the COVID-19 pandemic.
Patient Journey Toward a Diagnosis of Light Chain Amyloidosis in a National Sample: Cross-Sectional Web-Based Study (Preprint)
Authors: Dou Xuelin , Liu Yang , Liao Aijun , Zhong Yuping , Fu Rong , Liu Lihong , Cui Canchan , Wang Xiaohong , Lu Jin
Published: December 2022

BACKGROUND

Systemic light chain (AL) amyloidosis is a rare and multisystem disease associated with increased morbidity and a poor prognosis. Delayed diagnoses are common due to the heterogeneity of the symptoms. However, real-world insights from Chinese patients with AL amyloidosis have not been investigated.

OBJECTIVE

This study aimed to describe the journey to an AL amyloidosis diagnosis and to build an in-depth understanding of the diagnostic process from the perspective of both clinicians and patients to obtain a correct and timely diagnosis.

METHODS

Publicly available disease-related content from social media platforms between January 2008 and April 2021 was searched. After performing data collection steps with a machine model, a series of disease-related posts were extracted. Natural language processing was used to identify the relevance of variables, followed by further manual evaluation and analysis.

RESULTS

A total of 2204 valid posts related to AL amyloidosis were included in this study, of which 1968 were posted on haodf.com. Of these posts, 1284 were posted by men (median age 57, IQR 46-67 years); 1459 posts mentioned renal-related symptoms, followed by heart (n=833), liver (n=491), and stomach (n=368) symptoms. Furthermore, 1502 posts mentioned symptoms related to 2 or more organs. Symptoms for AL amyloidosis most frequently mentioned by suspected patients were nonspecific weakness (n=252), edema (n=196), hypertrophy (n=168), and swelling (n=140). Multiple physician visits were common, and nephrologists (n=265) and hematologists (n=214) were the most frequently visited specialists by suspected patients for initial consultation. Additionally, interhospital referrals were also commonly seen, centralizing in tertiary hospitals.

CONCLUSIONS

Chinese patients with AL amyloidosis experienced referrals during their journey toward accurate diagnosis. Increasing awareness of the disease and early referral to a specialized center with expertise may reduce delayed diagnosis and improve patient management.
Increasing Influenza Vaccination Uptake by Sending Reminders: A Representative Cross-Sectional Study on the Preferences of Italian Adults (Preprint)
Authors: Domnich Alexander , Grassi Riccardo , Fallani Elettra , Costantini Giulia , Panatto Donatella , Ogliastro Matilde , Salvatore Marco , Cambiaggi Maura , Vasco Alessandro , Orsi Andrea , Icardi Giancarlo
Published: December 2022

BACKGROUND

Seasonal influenza vaccination (SIV) is a well-recognized and cost-effective means to reduce the burden of influenza. However, SIV uptake is insufficient in most jurisdictions, including Italy. Evidence from countries that achieved high SIV coverage suggests that active invitation to get vaccinated may increase SIV uptake.

OBJECTIVE

The goal of this study was to explore experience and attitudes of Italian adults towards active invitation to receive SIV, triggered by different sources and delivered by different communication channels, and to assess projected benefits of this strategy.

METHODS

A cross-sectional survey on a large sample of Italian adults aged ≥18 years was conducted by using computer-assisted web interviewing. Representativeness of the adult Italian population in terms of principal socio-demographic characteristics was achieved through applying a two-stage probabilistic quota sampling.

RESULTS

Responses from 2513 subjects were analyzed. A total of 52.16% (95% CI 50.63%-54.57%) of individuals previously received invitations to undergo SIV and, compared with people who did not receive any reminder, were 3 times more likely (68.15% versus 22.17%) to be vaccinated in the last season with an adjusted odds ratio (aOR) of 6.47 (95% CI 5.35-7.83). Among other sources investigated, reminders sent by general practitioners (GPs) were perceived as more attractive and associated with the largest effect size. Analogously, more positive attitude towards SIV reminders sent by GPs were significantly (P<.001) associated with higher intentions to get the next season vaccination. As for communication channels, most participants preferred text/instant messaging (27.19%, 95% CI 25.45%-28.96%) or email (24.59%, 95% CI 22.92%-26.32%), suggesting an acceleration in the Italian digital transformation triggered by the COVID-19 pandemic. Notably, there was no statistically significant differences in terms of sex, age groups, education level and previous season vaccination between subjects preferring text messages or email, suggesting that both digital channels may have equal reachability of the principal target populations. Conversely, traditional postal letters or phone calls were preferred by only 16.99% (95% CI 15.54%-18.52%) and 8.60% (95% CI: 7.53%-9.76%) of respondents, respectively. The remaining 22.64% (95% CI: 21.02%-24.33%) did not want to receive any reminder.

CONCLUSIONS

Reminders sent by GPs via text/instant messages or email is a valuable option for increasing SIV uptake among Italian adults. Public health implications were discussed.
Implementation of Pre-Emphasis Analog Filter on Raspberry Pi Using Zero-Order Hold Discretization as a Pre-Processing to Humanoids’ Commands Recognition
Authors: Hendry Jans , Sumanto Budi , Mileniandi Yoga , Wening Putri Mawaring
Published: December 2022

Intisari – Dalam teknologi yang menggunakan pengolahan sinyal wicara, tapis pre-emphasis sering digunakan sebelum proses ekstraksi ciri. Tapis ini dapat memperbesar amplitudo dari sinyal pada frekuensi tinggi sambil tetap mempertahankan bagian sinyal pada frekuensi rendah. Dalam penelitian ini, kami menerapkan tapis pre-emphasis analog yang dikembangkan dari tapi pelolos frekuensi tinggi. Lalu, filter tersebut didiskretkan menggunakan metode zero-order hold (ZOH). Kedua filter tersebut memiliki pole yang menunjukkan kestabilan. Nilai pole dari tapis diskret selalu di titik nol, sedangkan nilai zero -0.9375. Hasil rekonstruksi dengan menggunakan tapis ­de-emphasis menunjukkan nilai mean-squared error nol yang menyimpulkan bahwa strategi menggunakan metode frame-by-frame untuk implementasi tapis pre-emphasis sangat dianjurkan. Kata kunci – pre-emphasis, de-emphasis, mean-squared error, tapis, wicaraAbstract – In speech processing technology, the pre-emphasis filter is often used before feature extraction. This filter can emphasize amplitude with high frequencies while preserving the low frequencies side. In this research, we implemented a complete analog pre-emphasis filter from a conventional analog high-pass filter. Then the analog pre-emphasis filter is discretized using zero-order hold (ZOH). The analog and discrete forms have been shown stable according to pole location. The pole of the discrete form is always at the origin, while zero is -0.9375. The reconstruction result, with the help of the de-emphasis filter, shows no discrepancies over the original, hence the mean-squared error is zero which establishes the conclusion that the frame-by-frame method applies to the pre-emphasis filter is lossless and preferable.Keywords – pre-emphasis, de-emphasis, mean-squared error, filter, speech