فهرست مطالب

Progress in Chemical and Biochemical Research
Volume:6 Issue: 3, Aug 2023

  • تاریخ انتشار: 1402/05/10
  • تعداد عناوین: 6
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  • Hassan Mohammadipour Anvari, Mohammad Irajian * Pages 164-178
    This study compared cefazolin with second-line antibiotics to assess the prevalence of SSIs within 90 days after joint replacement surgery and interoperative HSRs among patients with a diagnosis of penicillin or cephalosporin allergy.Demographics, comorbidities, immunomodulatory medications, allergy history, perioperative medications, and laboratory test results were all collected from the electronic health record. Patients who underwent multiple joint replacements in various procedures were counted as separate encounters. Joint replacements on both sides carried out during the same procedure were counted as one encounter. Based on the symptoms that were reported, beta-lactam allergic reaction histories were divided into immediate, delayed, and undetermined categories. There were descriptions of anaphylaxis, respiratory distress, cardiovascular symptoms, edema, and hives among the immediate allergic reactions. Delayed allergic reactions were described as pruritis, nephritis, hepatitis, and blood cell dysfunction (neutropenia, thrombocytopenia), among other dermatological findings and conditions. The causes of all other allergic reactions were labeled as unknown.The average time from surgery to SSI was 24 days in the cefazolin group and 21 days in the clindamycin and/or vancomycin group. There were fewer superficial incisional infections (0.7% vs 1.9%) and prosthetic joint infections (0.1% vs 1.9%) in the cefazolin group.According to our research, using cefazolin as a perioperative antibiotic for infection prevention during total joint arthroplasty in patients who have been diagnosed as being allergic to beta-lactams is associated with fewer postoperative SSIs without raising interoperative HSRs.
    Keywords: Infection, Management, lower limb surgeries, Beta-lactam Allergy
  • Soraya Shirvali, Hossein Iloukhani *, Khatereh Khanlarzadeh Pages 179-196
    Thermodynamic properties such as apparent molar volume,  𝐯φ and apparent molar isentropic compressibility, 𝑘ⱷ𝓈 for aqueous solutions of glycine, histidine, and valine in nortriptyline corresponding measured their density as well as speed of sound at T = (305.15, 310.15, and 315.15) K were computed. The obtained quantities were discussed in terms of interactions between drug-water and amino acids which was due to specification structural and upon the situation of nortriptyline molecules.
    Keywords: Apparent molar volume, Glycine, Histidine, Valine, Nortriptyline
  • Mohammad Irajian, Hassan Mohammadipour Anvari * Pages 197-210
    This study set out to determine the impact of a single dose of antibiotic prophylaxis on the incidence of SSIs following Foot and Ankle Surgery, which have the highest infection rate. The study looked at whether or not removing a Foot and Ankle Surgery in the lower leg would result in a lower rate of surgical site infections (SSIs) after a single prophylactic antibiotic dose.Patients undergoing removal of orthopedic implants to treat fractures below the knee were enrolled in the multicenter, double-blind, randomized Wound Infections Following Implant Removal trial. The trial was conducted in 17 teaching hospitals and 2 academic hospitals.Cefazolin sensitivity was found in 14 microorganisms (74%) while it was absent in 5 (26%) of the microorganisms. No growth was found in the culture swabs taken from 2.7% of patients, and in 45.5% of patients with an SSI diagnosis, no culture swabs were taken. The identified microorganisms were cefazolin sensitive in 87.2% of the cases.One intravenous dose of cefazolin given prior to surgery among patients having Foot and Ankle Surgery did not lower the risk of surgical site infection within 30 days of surgery.
    Keywords: Prophylactic, Antibiotics, Foot Surgery, Ankle Surgery
  • Fater Iorhuna *, Abdullahi Ayuba, Aondofa Nyijime, Muhammedjamiu Hussain, Mu'azu Ibrahim Pages 211-228
    To shield aluminium metals from the corrosion, a theoretical investigation on the ability to resist corrosion was carried out using the local density function Becke, 3-parameter, Lee–Yang–Parr (B3LYP) under limited spin polarization DNP+ basis in aqueous solution. The aim of the research was to obtain a stable geometry of the halogen substituted Isocyanatophosphine molecule, the local reactivity, and the global reactivity of the molecules as simulated on Al (110) surface. Some of the reactivities include the (ω+) electron accepting power which is in the order of 0.614<1.404<1.739<3.165 eV with DIP having highest accepting power and (ω-) electron donating power from 4.579< 6.015<6.445<7.891 eV and DFP having the highest accepting power. The energy gap (ΔEg) was in the order of 4.243<5.142<5.993<7.361eV; hence, DIP with 4.243eV is less stable and capable of been more reactive compare to DBP, DCP, and DFP. Fraction of electron transfer (ΔN) and Back-donation energy were in good agreement with each other in the order of 0.222<0.200<0.206<0.257% having DBP as the highest efficient molecule for the inhibition. The mode of interaction between the molecules and the surface of Al (110) was therefore established to be physisorption. The Binding energy of the molecules ranges between 15.708-22.298 kJmol-1. The Fukui function findings suggest the heteroatoms in a molecule nitrogen, oxygen, and halogen atoms been the focal point for the selectivity of electron donation and acceptance between the metal and the molecules. The molecules are tetragonal planar on the surface of the aluminium crystals.
    Keywords: Isocyanatophosphine, Aluminium, physisorption, Simulation, DFT
  • Abdullahi Umar, Sagiru Hamza Abdullahi *, Adamu Uzairu, Gideon Shallangwa, Sani Uba Pages 229-243
    Despite advancements in analytics and therapy, breast cancer remains one of the leading causes of death and the second most prevalent cancer among women worldwide. This study focuses on the development of more potent and safer coumarin derivatives as anti-breast cancer agents. The design process involved molecular docking studies and structural modifications based on a design template. The docking studies involved 26 coumarin derivatives and the active site residues of VEGFR-2 target protein. Among the compounds tested, compound 7 demonstrated a higher docking score (-149.893 kcal/mol) compared to Sorafenib (-144.289 kcal/mol), which served as the design template. By introducing electron-rich -NH2 and -OH groups to the various positions on the template, resulting in increased electron density and basic character, five novel derivatives with improved binding affinities (-156.185 to -171.985 kcal/mol) were designed. Consequently, these compounds exhibit enhanced binding capabilities compared to Sorafenib. Moreover, pharmacological studies indicate that the designed derivatives possess drug-like qualities and favorable ADMET profiles. As a result, these research findings hold promise for the discovery of new and improved drugs for the treatment of breast cancer.
    Keywords: ADMET, VEGFR-2 receptor, In-silico drug design, Pharmacological studies, sorafenib
  • Ibrahim Muhammed, Blessing Tabugbo, Usman Rilwan *, Odih Christian Pages 244-260
    In this study, fish samples were collected from Karu, Keffi, Kokona, and Nasarawa local governments for heavy metal analysis via Atomic Absorption Spectrometry. The primary objective was to assess heavy metal concentrations (Cr, Cd, Pb, Cu, Mn, and Ni) in fish from rivers and ponds across these regions. Results exhibited substantial variations in heavy metal content. Manganese (Mn) concentrations spanned from 73.63 mg/kg to 124.60 mg/kg in Karu, 48.79 mg/kg to 99.5 mg/kg in Nasarawa, 78.52 mg/kg to 85.49 mg/kg in Keffi, and 32.07 mg/kg to 60.86 mg/kg in Kokona L.G.A. Chromium (Cr) levels ranged from 2.31 mg/kg to 6.99 mg/kg in Karu, 2.92 mg/kg to 6.86 mg/kg in Nasarawa, 5.00 mg/kg to 5.17 mg/kg in Kokona, and 2.02 mg/kg to 3.39 mg/kg in Keffi. Copper (Cu) exhibited a range of 18.82 mg/kg to 61.15 mg/kg in Karu, 14.86 mg/kg to 33.74 mg/kg in Kokona, 3.85 mg/kg to 24.52 mg/kg in Nasarawa, and 8.48 mg/kg to 16.92 mg/kg in Keffi. Cadmium (Cd) was solely detected in Kokona pond samples (0.06 mg/kg). Lead (Pb) concentrations spanned from 0.93 mg/kg to 1.93 mg/kg in Kokona, 0.01 mg/kg to 0.48 mg/kg in Karu, 0.003 mg/kg to 0.24 mg/kg in Nasarawa, and 0.08 mg/kg in Keffi. Nickel (Ni) content ranged from 2.48 mg/kg to 3.36 mg/kg in Karu, 0.78 mg/kg in Keffi, 2.67 mg/kg in Kokona pond, and 1.67 mg/kg in Nasarawa river. Manganese was consistently the most prevalent heavy metal in all locations, with Lead showing the lowest bioaccumulation index in Karu ponds. Elevated metal concentrations in these fish are likely linked to mining, pesticide usage, and local irrigation practices, particularly in Karu. Chromium, Nickel, and Lead concentrations adhered to WHO/FAO recommendations. However, some samples exceeded permissible limits for Manganese and Copper, posing potential risks to human consumption, except for Cadmium, which was solely found in Kokona pond samples.
    Keywords: fish, pond, River, heavy metals