Reaction Probability Research Articles

Progressive erythrocytosis under lenvatinib treatment in patients with advanced hepatocellular carcinoma

PurposeThis manuscript reports on the occurrence of early and frequent erythrocytosis in advanced hepatocellular carcinoma (HCC) patients treated with lenvatinib.MethodsA cohort of 23 patients with advanced HCC, treated with this antiangiogenic drug for at least one month, was retrospectively analyzed.ResultsThese patients (82.7% men, median age 58.3, cirrhosis in 60.8%) were treated between October 2019 and September 2020 with lenvatinib, as first-line systemic therapy for 82.6% of them. For 20 patients (87%), an early and significant increase in hemoglobin (Hb) level, up to 1.41 g/dL (p < 0.001) was reported and remained elevated. Ten patients (43.5%), all men, reached erythrocytosis (Hb > 16.5 g/dL), 7 were treated with low-dose aspirin for primary thromboprophylaxis and 2 needed phlebotomy. None underwent thromboembolic complications. A significant Hb decrease was observed after treatment discontinuation (p < 0.05). Erythropoietin (EPO) serum levels also increased, which was attributed to HCC after immunostaining for EPO in liver biopsies. The Naranjo adverse drug reaction probability scale documented the relationship between erythrocytosis and lenvatinib and regression at treatment discontinuation. Erythrocytosis was hypothesized to be a class effect of anti-VEGF therapies, the magnitude of which might depend on the IC50 value of each molecule.ConclusionThis report documents the frequent occurrence of erythrocytosis during lenvatinib treatment for advanced HCC, likely secondary to EPO secretion by tumor cells through the antiangiogenic activity levatinib. An early and close monitoring of hematologic parameters is, thus, recommended, together with thromboprophylaxis by low-dose aspirin and phlebotomy in case of symptomatic erythrocytosis.

Collision of C2 with NH and deuterated analogs in the interstellar medium. Scattering calculations

ABSTRACT Shephard’s interpolation potential energy surface and isotopic substitution were used to understand the mechanisms of chemical reactions; the NH + C2 reaction potential energy surface was constructed in this research and evaluated using ab-initio calculations. Classical trajectory simulations were used to calculate the reaction probability and cross-section. In addition, the rate constant by the nonlinear least-squares fitting was calculated. These were determined as a function of cross-section. In non-reactive trajectories for inelastic collisions, the scattering angle was estimated. The effects of the impact parameter and the relative velocity of particles on the reaction probability, transmitted energy, and dispersion angle were investigated. In addition, Isotopic substitution in the NH radical was evaluated for the effect of the mass of the target and incident particles on the cross-section, reaction probability, dispersion angle, and reaction rate. To calculate the kinetic isotope effect, the influence of the mass of colliding molecules on the observable properties was studied. Deuterated imidogen reacted faster than hydrogenated imidogen. These observations provided valuable insights into the details of the mechanisms, possible reactions of ND and NH + C2 , and deuterium fractionation.

Non‐Isothermal Kinetics of Phoenix Dactylifera L. Date Palm Seeds Pyrolysis Using Model Fitting and Iso‐Conversional Model Free Methods

AbstractIn this paper, Phoenix dactylifera L. date palm seeds (RDS) were first characterized from a physicochemical point of view, in particular the proximate and ultimate composition, XRD, and SEM–EDX analyses. Based on findings RDS contains 77.4 % of total carbohydrates, 12.8 % of lignin, and a higher heating value (HHV) of 15.88 MJ kg−1. Immuno‐labeling intensity (OD) of non‐cellulosic RDS fraction was also determined thanks to the ELISA technique after the dissolution of polysaccharides in ionic liquid showing the presence of mannans and xyloglucans and the absence of arabinans in date seeds, a significant amount of homogalacturonans were also detected. The thermal decomposition and kinetic of date palm seeds (RDS) using TGA‐DTG, and DSC measurements were then investigated. The RDS samples were heated in the temperature ranges 25–600 °C at 5, 10, 15, and 20 °C/min. The decomposition of hemicelluloses, cellulose, and lignin, active pyrolysis of RDS, was held in a range of temperature 160–450 °C. The kinetic parameters such as activation energy (Ea) and pre‐exponential factor (A) were determined for two degradation steps by using iso‐conversional model‐free methods. The Ea and pre‐exponential factor obtained by the Kissinger method are 212 kJ mol−1 and 7.8×1019 min−1 for the first decomposition interval (I1) and 172 kJ mol−1 and 5.96×1013 min−1 for the second decomposition interval I2. The same average parameters calculated by model‐free methods are 126–156 kJ mol−1 and 180–213 kJ mol−1 and 3.36×1014 and 7.07×1017 min−1 respectively for the first and second intervals of thermal decomposition. Indicating that activation energy decreases in the final stages of the process and that the energy required for hemicelluloses degradation is lower than that of cellulose. The most probable reaction functions have been determined for these two stages, by Coats‐Redfern (CR) and Criado methods, leading to considerably improved calculation performance over the entire conversion range. The pyrolysis reaction models of RDS are described by reaction, second order F2 for cellulose and hemicelluloses. With the Arrhenius parameters obtained from the fitting model of CR, we attempt to reconstruct the temperature‐dependent mass conversion curves and have resulted in generally acceptable results. Based on the Arrhenius parameter values, obtained by the Kissinger equation, the changes in entropy, enthalpy, Gibbs free energy, and lifetime predictions have been estimated for the thermal degradation processes of RDS.

Data Fusion-Based Approach for the Investigation of Reaction Networks in Hydrous Pyrolysis of Biomass

In this work, we present and validate a methodology for generating reaction networks from spectroscopic data using data-driven methods by applying it to the hydrothermal liquefaction (HTL) of Monterrey pine biomass and its constituents, viz., cellulose and lignin. This work is presented as a step toward automated inference of chemistry of the hydrothermal liquefaction process, thus limiting the need for human expertise. Bayesian hierarchical clustering of spectra and self-modeling multivariate spectral curve resolution are used to generate groups of chemically similar species, the reaction networks among which have been developed using Bayesian networks. Fourier transform infrared spectroscopy and proton nuclear magnetic resonance spectroscopy-based measurements are used as input data. The data-driven reaction network includes pathways representing decomposition of the biomass components, large molecule hydrolysis, and reformation of produced molecules and is consistent with the literature. Furthermore, the comparison of the networks generated for biomass and its components (levoglucosan, representing cellulose, and 2-phenoxy-ethyl benzene, representing lignin) reveals the relationship between the biomass HTL reaction network and the reaction networks of the components. The data-driven approach provides a diagnostic tool to identify the most probable reaction chemistry for complex biomass feedstocks and can be used for process understanding, design, and control.

Infliximab induced severe depression and suicidal thoughts in patient with bipolar disorder

IntroductionInfliximab is a tumor necrosis factor-alpha (TNF-α) inhibitor commonly used in the treatment of autoimmune disorders such as rheumatoid arthritis and ankylosing spondylitis. An increased risk of opportunistic infections, malignancy, and neurodegenerative diseases have been widely documented as adverse effects of IFX therapy. Few reports exist serving the notice of new-onset psychiatric symptoms linked to IFX treatment, such as suicidal behaviors in adults and elderly patients, as well as psychosis in an adolescent. Psychiatric side effects while under IFX treatment are reported to be rare.ObjectivesHere, we present a case of a female with bipolar disorder who developed a long-standing depressive episode with suicidal thoughts after her fourth infusion of infliximab for her ankylosing spondylitisMethodsRetrospective life chart was created, including infliximab infusion.Montgomery Asberg Depression Scale was applied at time of hospitalisation and discharge.The Naranjo Adverse Drug Reaction Probability Scale was applied.ResultsA 55 year old female with ankylosing spondylitis and bipolar disorder was treated with IFX for 8 months. During this period, a total of 4 infusions were administered and AS symptoms were well responding to the treatment. Patient describes the onset of depressive symptoms such as anhedonia and insomnia after the infusion of third IFX infusion, gradually progressing to loss of function and suicidal thoughts and hospitalization in a psychiatry clinic.The patient had a history of bipolar disorder for 10 years with recurrent manic and depressive episodes, 4 hospitalisations and 1 cure of ECT. Patient was on sertraline, maprotiline and diazepam at the time of hospitalization. We started treatment with aripiprazole, quetiapine and valproate, followed for 4 weeks as an inpatient, consulted with rheumatology treatment options and neurology for demyelinating disorders, no pathology was discovered. Rheumatology suggested the continuation of IFX infusion under psychiatric control. Fifth dose of IFX infusion was administered and patient was discharged after euthymic mood was established and insomnia and suicidal thoughts were deteriorated. Upon follow up, depressive symptoms recurred and lamotrigine was added for augmentation.Image:ConclusionsAlthough there is very scarce evidence that IFX causes psychiatric symptoms, there are few clinical trials too, showing evidence that TNF-alpha inhibitors may improve depressive symptoms. While we need more information and evidence to support the ideas of TNF alpha inhibitors effects on human neuropsychology, it is of great importance for especially patients with psychiatric history to be closely watched while administering the product, at least to minimize unintended adverse events.Disclosure of InterestNone Declared

AC-driven atmospheric pressure glow discharge co-improves conversion and energy efficiency of CO2 splitting

Gap distance and discharge power have great influence on the morphology and characteristics of glow plasma. Unfortunately, there is few research on the influence law and mechanism of these factors for CO2 splitting by glow plasma. In this study, an AC-driven atmospheric pressure glow discharge (APGD) plasma reactor was developed for CO2 splitting. Through the rational design on the plasma reactor accompanied by numerical simulation and systematic experimentation, the unique influence laws and mechanisms on CO2 splitting behavior are unveiled. Several key parameters, such as gap distance, discharge power and gas flow rate, are found able to play synergistic roles in tailoring plasma reactor to co-improve the conversion and energy efficiency. At an optimized gap distance, sufficient electron collisions along the main channel results in the largest active plasma volume, leading to the optimal CO2 splitting performance. The conversion and energy efficiency could also be co-improved by synchronously increasing the discharge power and gas flow rate at a given specific energy input (SEI) value, which exhibits an opposite feature of dielectric barrier discharge (DBD) plasma, because larger plasma volume increases the probability of collision dissociation reaction and lower gas temperature decreases the rate of recombination reaction. The AC-driven APGD reactor can achieve maximum conversion of 11.96% and maximum energy efficiency of 41.51% which superior to the results of most atmospheric pressure plasmas. This work gains insights into the behaviors of AC-driven APGD plasma in CO2 splitting and potentially opens an avenue to develop plasma technology for sustainable CO2 utilization.

Role of Clinical Pharmacy Services in Healthcare System

Clinical pharmacy services are needed into practice for better pharmacotherapy towards safe and optimal patient care. It takes into account, patient-centred orientation with specialized therapeutic knowledge, experience and judgement to assure prudent patient outcomes. Medication Reconciliation is one of the fundamental responsibilities of clinical pharmacy as it forms the basis for many different clinical pharmacy activities such as patient counselling, therapeutic drug monitoring, and detection and regulation of probable adverse drug reactions; therefore, it is the principal duty of a clinical pharmacist to approve drug orders. In many hospitals, where clinical pharmacy services are not fully established much commitment is needed for betterment and expansion of this system in contemplation of bringing out the benefits of these services for advantage of society. Clinical pharmacy mainly focuses on a patient-oriented attitude. They require regular and frequent interactions with the physicians and other health care providers which contribute to improved quality of care. The provision of pharmaceutical care can result in expanded identification of drugs and dose associated problems in admitted patients. The decision-making process for choosing economical and effective medications can be assisted by pharmacists in order to improve the standard of patient care and clinical results by ensuring that medications are chosen in accordance with local protocols and formularies. Clinical pharmacist plays a key role in the patient safety initiatives, intercepting and acting towards feasible prescribing errors. Clinical pharmacy services can serve as vital contributing factor in the betterment of health care system. Pharmacists have roles and responsibilities both as team members and as individual practitioners ensuring that patients benefit from their pharmaceutical care.

Establishment and Application of an Indirect ELISA for the Detection of Antibodies to Porcine Streptococcus suis Based on a Recombinant GMD Protein

S. suis is an important zoonotic pathogen from sick and recessive carrier pigs that poses a serious threat to animal husbandry production and public health. It usually causes horizontal transmission among pigs. The morbidity and mortality of this disease are very high. Human infection is caused through direct or indirect contact with sick pigs. The two large-scale outbreaks in China were due to the outbreak of S. suis on pig farms, which spread to human infection; thus, detecting S. suis in pig herds is crucial. At present, the commercial S. suis ELISA type 2 kits on the market can only detect single serotypes, high probabilities of interaction reactions, and biosafety risks when using inactivated S. suis as an antigen. Phosphate-3-glyceraldehyde dehydrogenase (GAPDH), muramidase-released protein (MRP), and dihydrolipoamide dehydrogenase (DLDH) are important S. suis type 2, S. suis type 7, and S. suis type 9 protective antigens. This study purified the GMD protein (B-cell-dominant epitopes of GAPDH, MRP, and DLDH antigens) and used a diverse combination of dominant epitopes of the multiple different antigens as coated antigens, improving the sensitivity and safety of the indirect ELISA experiments. An indirect ELISA method (GMD-ELISA) was developed for detecting S. suis antibodies. The antigen-antibody response was optimized using checkerboard titration. The results of testing using ELISA for Salmonella enterica (S. enterica), Escherichia coli (E. coli), Staphylococcus aureus (SA), and Streptococcus pyogenes (S. pyogenes) were all negative, indicating that this method had strong specificity. The results were still positive when the dilution ratio of S. suis-positive serum reached 1:6, 400, thus indicating that the method had high sensitivity. The results of the reproducibility assay for indirect ELISA showed that the intra-assay coefficient of variation and the inter-assay coefficient of variation were less than 10%, indicating that the method had good repeatability. We investigated the seroprevalence of S. suis in 167 serum samples collected in East China, and 33.5% of the samples were positive for antibodies against S. suis, indicating that the prevalence of S. suis is high in pig farms in Eastern China. The novel GMD-ELISA is a convenient, sensitive, and specific diagnostic method that provides technical support for rapid diagnosis and epidemiological investigation.

Synergistic effect of Fe and Ce on Fe doped CeO2 for catalytic ozonation of amoxicillin: Efficiency evaluation and mechanism study

A Fe-doped CeO2 was fabricated for catalytic ozonation of Amoxicillin (AMX), and the catalytic mechanisms were explored in this study. Under optimal conditions (the initial solution pH of 7.0, FC-0.3 dosage of 0.5 g/L, O3 dosage of 4 mg/min), the AMX and TOC removal by the optimal material (FC-0.3, at Fe/Ce atomic ratio of 0.3) reached 98.1 % at 24 min and 55.2 % at 36 min, respectively. Improved the AMX mineralization efficiency by 3.7 times. The experiments and theoretical calculation reveal the mechanisms of promoted catalytic ozonation by FC-0.3: 1) Highly abundant surface-active sites (i.e., –OH) enabled the adsorption of H2O and O3, which was favorable to the generation of reactive oxygen species (ROS) and improved the reaction probability for ROS and contaminants. 2) The synergistic effect between Ce4+/Ce3+ and Fe3+/Fe2+ redox couples accelerated the electron transfer and formation of ROS. More than 42 % of •OH was generated in the presence of FC-0.3, and the •OH, •O2− and 1O2 were the main ROS that contributed to AMX degradation. The surface OH groups played a key role in the catalytic ozonation. The oxygen vacancies (OVs) played an important role in electron transfer, Ce and Fe were the active sites of electrons transfer following the sequence of (Ce3+ + Fe2+) → (Ce4+ + Fe3+) → (Ce3+ + Fe2+) redox reaction. The degradation pathway investigation and toxicity evaluation revealed that some more toxic intermediates were generated during the ozonation process, and sufficient mineralization is required to meet safe discharge. This study provides reference for the synthesis of new catalysts and insight into the reaction mechanisms in the heterogeneous catalytic ozonation process.

Lime replacement by finely ground clay from the north fluminense region of RJ in mortar for coating walls and ceilings

This work aims to identify the effects of replacing lime to finely ground kaolinitic clay (GC) in mortars for coating walls and ceilings, evaluating the water retention, calorimetry, XRD, mechanical resistance, water absorption and void index, and comparing these properties with a mortar with lime, called reference mortar (RM), and one with the addition of a commercial clay (CC) sold at the local trade. The justificative of this work is due to the fact that clay is empirically incorporated into mortars, as a substitute for lime, in order to improve its workability. However, these replacements modify the properties of the mortars and, therefore, experimental evidence to evaluate the most important properties must be carried out. Through the tests performed, an increase in water consumption in mortars of 36% with CC and 45% with GC was observed, however these results did not influence the properties of water retention. Through the patterns obtained in the XRD test, it was observed that the addition of GC in the mortar consumed the portlandite, meaning that there is a probable pozzolanic reaction in the formation of new C–S–H compounds. These results prove that kaolinitic clay can be added in 1:1:6 mortars, maintaining its most important properties for use as coatings.

Predictive Nursing Versus Routine Nursing on Health Status, Cancer-related Fatigue and Psychological State of Patients with Pancreatic Cancer Undergoing Chemotherapy

Objective: To investigate the implications of predictive nursing on the health status, cancer-related fatigue and psychological state of patients with pancreatic cancer after chemotherapy. Methods: This was a randomized controlled experiment that included 68 patients with pancreatic cancer who received chemotherapy in our hospital from July 2019 to February 2022, and the participants were assigned 1:1 either into the routine (routine nursing mode) or the prediction (predictive nursing mode) group. The outcome measures included health status, cancer-related fatigue, anxiety, depression, quality of life (QoL) and adverse reactions. Results: In this study, there were no cases of treatment intolerance to the point of shedding, and no cases of additional supplemental treatment. The predictive nursing intervention resulted in superior health status (P&lt;0.05), yet less cancer-related fatigue versus the routine nursing (P&lt;0.05). The predictive nursing intervention was associated with lower self-rating anxiety scale and self-rating depression scale scores (P&lt;0.05), but higher QoL score versus the routine nursing (P&lt;0.05). The predictive nursing intervention led to lower incidence of adverse reactions versus the routine nursing (P&lt;0.05). Conclusion: The predictive nursing is a viable mode for patients with pancreatic cancer undergoing chemotherapy is remarkable. It produces remarkable benefits in terms of boosting the health status and QoL of patients, mitigating cancer-related fatigue, and minimizing the probability of adverse reactions, and therefore merits clinical application.

Modification of micro-crystalline graphite and carbon black by acetone, toluene, and phenol.

The chemical interactions of two types of graphite and two types of carbon black (CB) with acetone, toluene, and phenol were studied in order to evaluate the influence of chemical treatment on the structure and morphology of the carbon phases. The experimental treatment of carbon phases was carried out at room temperature for 1 hour. The chemical and phase composition were studied by x-ray photoelectron (XP) and Raman spectroscopies, while the morphology and structure were determined by powder x-ray diffraction, as well as transmission electron microscopy techniques. To shed light on the most probable explanation of the observed results, we performed simulations and calculations of the binding energies of acetone, toluene, and phenol with model carbon phases: a perfect graphene sheet and a defective graphene sheet containing various structural defects (vacancies as well as zigzag and armchair edges). Simulations show that all non-covalent and most covalent coupling reactions are exothermic, with acetone coupling having the higher calorimetric effect. Based on the results of the simulations and the XP spectroscopy measurements, the probable reactions taking place during the respective treatments are outlined. The conducted studies (both theoretical and experimental) show that the treatment of graphite powders and CB with acetone, toluene, or phenol can be used as a preliminary stage of their modification and/or functionalization, including their conversion into graphene-like (defective graphene, reduced graphene oxide, and/or graphene oxide) phases. For example, the treatment of SPHERON 5000 with acetone significantly facilitates their subsequent modification with laser radiation to graphene-like phases.

Theoretical insights into the reaction mechanism and kinetics of ampicillin degradation with hydroxyl radical.

Ampicillin (AMP) is a penicillin-class beta-lactam antibiotic widely used to treat infections caused by bacteria. Therefore, due to its widespread use, this antibiotic is found in wastewater, and it contains long-term risks such as toxicity to all living organisms. In this study, the degradation reaction of ampicillin with hydroxyl radical was investigated by the density functional theory (DFT) method. All the calculations were performed with B3LYP functional at 6-31G(d,p) basis set. The thermodynamic energy values and reaction rates of all possible reaction paths were calculated. The addition of the hydroxyl radical to the carbonyl group of the beta-lactam ring is thermodynamically the most probable reaction path. The calculated overall reaction rate constant is 1.36 × 1011M-1s-1. To determine the effect of temperature on the reaction rate, rate constants were calculated for all reaction paths at five different temperatures. The subsequent reaction kinetics of the most preferred primary route was also examined, and the toxicity values of the intermediates were estimated. The acute toxicity of AMP and its degradation product were calculated using the Ecological Structure Activity Relationships (ECOSAR) software. The degradation product was found to be more toxic than AMP.

Recent Progress on Pyridine N‐Oxide in Organic Transformations: A Review

AbstractPyridine derivatives are one of the most important moieties in the synthesis of various biologically active compounds containing heterocyclic ring. But, due to the low reactivity of pyridine, pyridine N‐oxides were used as a reactant to develop some bio‐active pyridine derivatives in good amount of yields with high regioselectivity. For that reason, synthesis of various substituted pyridine N‐oxides grabbed the attention of many chemists due to their importance in the formation of various bioactive moieties and their application in various fields like it can be used as a catalyst, oxidant etc. This review is focused on various C−H activation reactions like arylation, acylation, alkylation, alkenylation, cross‐coupling reactions and halogenation reactions in both metal‐catalysed and metal‐free pathway along with their probable mechanism and reaction scopes. The main focus of this review is to discuss about versatile synthetic pathways of pyridine and pyridine N‐oxide derivatives using pyridine N‐oxides as a substrate as well as their mechanistic studies and the scope of the reactions. Besides all of that, this review also discussed about the application (e. g., catalyst) of pyridine N‐oxides in various organic transformation.

Chlorinated Cubane-1,4-dicarboxylic Acids.

Herein, we report radical chlorination of cubane-1,4-dicarboxylic acid leading preferentially to one monochlorinated cubane dicarboxylate (ca. 70%) that is accompanied by four dichlorinated derivatives (ca. 20% in total). The exact positions of the chlorine atoms have been confirmed by X-ray diffraction of the corresponding single crystals. The acidity constants of all dicarboxylic acids in water were determined by capillary electrophoresis (3.17 ± 0.04 and 4.09 ± 0.05 for monochlorinated and ca. 2.71 ± 0.05 and 3.75 ± 0.05 for dichlorinated cubanes). All chlorinated derivatives as well as the parent diacid showed high thermal stability (decomposition above 250 °C) as documented by differential scanning calorimetry. The probable reaction pathways leading to individual isomers were proposed, and the energies of individual transition states and intermediates were obtained using density functional theory calculations (B3LYP-D3BJ/6-311+G(d,p)). The relative strain energies for all newly prepared derivatives as well as for hypothetical hexahalogenated (fluorinated, chlorinated, brominated, and iodinated) derivatives of cubane-1,4-dicarboxylic acids were predicted using wavefunction theory methods. The hexafluorinated derivative was identified as the most strained compound (57.5 kcal/mol), and the relative strain decreased as the size of halogen atoms increased (23.7 for hexachloro, 16.7 for hexabromo, and 4.0 kcal/mol for the hexaiodo derivative).

How Adsorbed Oxygen Atoms Inhibit Hydrogen Dissociation on Tungsten Surfaces.

Hydrogen molecules dissociate on clean W(110) surfaces. This reaction is progressively inhibited as the tungsten surface is precovered with oxygen. We use density functional theory and ab initio molecular dynamics to rationalize, at the atomic scale, the influence of the adsorbed O atoms on the H2 dissociation process. The reaction probability is calculated for kinetic energies below 300 meV and different O nominal coverages. We show that the adsorbed O atoms act as repulsive centers that modulate the dynamics of the impinging H2 molecules by closing dissociation pathways. In agreement with existing experimental information, H2 dissociation is absent for an O coverage of half a monolayer. The results show that the influence of O adsorbates on the dissociation dynamics on W(110) goes much beyond the blocking of possible H adsorption sites. Adsorbed O atoms create a sort of chemical shield at the surface that prevents further approach and dissociation of the H2 molecules.

Analysis of Adverse Drug Reactions in Patients with Diabetes Mellitus at Private clinics in Hyderabad, Pakistan

Background: Diabetes is characterized by hyperglycemia, a metabolic disorder resulting from defects in insulin secretion, action, or both. The traditional treatment choices available for diabetes include medications that are oral hypoglycemic agents and insulin. Due to the introduction of several medications during the past 20 years, the identification of adverse drug reactions has gained importance. Aim: The aim of this study was to evaluate the adverse drug reactions among diabetic patients and patients’ variables that were linked to the adverse drug reactions. Study Design: Cross-sectional study Place and Duration of Study: This research was done at private clinics in Hyderabad, Pakistan, from August 2021 to January 2022. Methodology: Three hundred and seventy seven participants and the data regarding baseline characteristics of participants, adverse drug reactions reported were analyzed together with the assessment of causality and severity of unwanted reactions. Results: Two hundred and forty one (63.9%) were males and 136 (36.1%) were females. Only 19 (5%) reported adverse drugs reactions. Hypoglycemia was the most commonly reported adverse drug reaction i.e.11 ((57.9%). On causality assessment, most of the adverse drug reactions fell under the category of probable adverse drug reaction i.e.15 (78.9%). Four (21.1%) of them had the doubtful relation with the medications. The majority of the adverse drug reactions that were reported by the participants were found to be moderately severe 13 (68.4%), when analyzed through severity assessment scale. Six (31.6%) were belonged to mildly severe category. Conclusion: The upper age group, male gender, and diabetes duration of more than 5 years were associated with a higher incidence of adverse drug reactions. This study gave in depth analysis of adverse drugs reactions reported in the patients of diabetes mellitus together with the nature of adverse drug reactions reported. A better patient outcome would result from the clinical pharmacist's active participation in adverse drug resistance. Keywords: Adverse drug resistance (ADR), Diabetes mellitus, Hypoglycemia, Severity

Tunneling Effect in Proton Transfer: Transfer Matrix Approach

The transfer matrix (TM) method was applied to calculate the transmission probability (TP) for proton transfer reactions. The tunneling factors in the reaction rate constants were also evaluated using the TPs. To test this method, TPs for the Eckart potentials modeled as a guanine-cytosine base pair were calculated by the TM method and compared to TPs by the analytical solution. As a result, the errors in the TPs by the TM method were quite small. The tunneling factors for the guanine-thymine (G-T) and adenine-cytosine (A-C) mispair reactions were then evaluated by the TM method. A shoulder appears on each potential for these reactions [Odai, K.; Umesaki,K. J. Phys. Chem. A. 2021, 125, 8196-8204]. As a result, the shoulder for the G-T mispair reaction contributes significantly to the tunneling, while the shoulder for the A-C mispair reaction contributes little to the tunneling. These results are difficult to obtain with methods such as Wigner's tunneling factor.

Manipulation of Photoelectrochemical Water Splitting by Controlling Direction of Carrier Movement Using InGaN/GaN Hetero-Structure Nanowires

We report the improvement in photoelectrochemical water splitting (PEC-WS) by controlling migration kinetics of photo-generated carriers using InGaN/GaN hetero-structure nanowires (HSNWs) as a photocathode (PC) material. The InGaN/GaN HSNWs were formed by first growing GaN nanowires (NWs) on an Si substrate and then forming InGaN NWs thereon. The InGaN/GaN HSNWs can cause the accumulation of photo-generated carriers in InGaN due to the potential barrier formed at the hetero-interface between InGaN and GaN, to increase directional migration towards electrolyte rather than the Si substrate, and consequently to contribute more to the PEC-WS reaction with electrolyte. The PEC-WS using the InGaN/GaN-HSNW PC shows the current density of 12.6 mA/cm2 at -1 V versus reversible hydrogen electrode (RHE) and applied-bias photon-to-current conversion efficiency of 3.3% at -0.9 V versus RHE. The high-performance PEC-WS using the InGaN/GaN HSNWs can be explained by the increase in the reaction probability of carriers at the interface between InGaN NWs and electrolyte, which was analyzed by electrical resistance and capacitance values defined therein.

Hydrochar coupled with iodide for efficient photodegradation of perfluorooctanoic acid and perfluorooctane sulfonic acid under ultraviolet light

Perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) are typical emerging persistent organic pollutants that are raising concerns regarding their environmental persistence. The photodegradation of these chemicals in water can be promoted by generating hydrated electrons (eaq−). The present work demonstrates a highly efficient process combining ultraviolet (UV) radiation, hydrochar (H-BC) and KI that is capable of decomposing PFOA and PFOS. After 60 min of photolysis using this technique, 99.5 % and 94.1 % of the initial amounts of PFOA and PFOS in aqueous solution were degraded, respectively, with corresponding defluorination percentages of 87.8 % and 71.7 %, respectively. These degradation values were higher than the sum of those obtained using UV radiation with only H-BC or KI, implying a synergistic effect from the combination of H-BC and KI. This effect can be attributed to the unique structure and numerous oxygen-containing functional groups of the H-BC. This material was able to absorb PFOA and PFOS, reduce iodide oxidation products back to I−, act as an electron shuttle and shorten the diffusion distance to the target substrate. These factors all increased the probability of reactions between the contaminants and eaq−. Analyses by liquid chromatography/electrospray ionization/tandem mass spectrometry showed that short-chain perfluoroalkyl carboxylic acids with less than seven carbons were the primary degradation intermediates, suggesting that the photodegradation proceeded stepwise. These results confirmed the cooperative effect of the H-BC and iodide, leading to effective eaq− generation. This work is expected to facilitate the development of new strategies for the treatment of water systems contaminated with PFOA and PFOS.