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Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter­molecular inter­action energies and energy frameworks of 1-benzyl-4-(methyl­sulfan­yl)-3a,7a-di­hydro-1H-pyrazolo­[3,4-d]pyrimidine

The pyrazolo­pyrimidine moiety in the title mol­ecule, C13H12N4S, is planar with the methyl­sulfanyl substituent lying essentially in the same plane. The benzyl group is rotated well out of this plane by 73.64 (6)°, giving the mol­ecule an approximate L shape. In the crystal, C—H⋯π(ring) inter­actions and C—H⋯S hydrogen bonds form tubes extending along the a axis. Furthermore, there are π–π inter­actions between parallel phenyl rings with centroid-to-centroid distances of 3.8418 (12) Å. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (47.0%), H⋯N/N⋯H (17.6%) and H⋯C/C⋯H (17.0%) inter­actions. The volume of the crystal voids and the percentage of free space were calculated to be 76.45 Å3 and 6.39%, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the cohesion of the crystal structure is dominated by the dispersion energy contributions.




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Crystal structure and Hirshfeld surface analyses, crystal voids, inter­molecular inter­action energies and energy frameworks of 3-benzyl-1-(3-bromoprop­yl)-5,5-di­phenyl­imidazolidine-2,4-dione

The title mol­ecule, C25H23BrN2O2, adopts a cup shaped conformation with the distinctly ruffled imidazolidine ring as the base. In the crystal, weak C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions form helical chains of mol­ecules extending along the b-axis direction that are linked by additional weak C—H⋯π(ring) inter­actions across inversion centres. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.0%), C⋯H/H⋯C (21.3%), Br⋯H/H⋯Br (12.8%) and O⋯H/H⋯O (12.4%) inter­actions. The volume of the crystal voids and the percentage of free space were calculated to be 251.24 Å3 and 11.71%, respectively, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated by the dispersion energy.




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Using XAS to monitor radiation damage in real time and post-analysis, and investigation of systematic errors of fluorescence XAS for Cu-bound amyloid-β

X-ray absorption spectroscopy (XAS) is a promising technique for determining structural information from sensitive biological samples, but high-accuracy X-ray absorption fine structure (XAFS) requires corrections of systematic errors in experimental data. Low-temperature XAS and room-temperature X-ray absorption spectro-electrochemical (XAS-EC) measurements of N-truncated amyloid-β samples were collected and corrected for systematic effects such as dead time, detector efficiencies, monochromator glitches, self-absorption, radiation damage and noise at higher wavenumber (k). A new protocol was developed using extended X-ray absorption fine structure (EXAFS) data analysis for monitoring radiation damage in real time and post-analysis. The reliability of the structural determinations and consistency were validated using the XAS measurement experimental uncertainty. The correction of detector pixel efficiencies improved the fitting χ2 by 12%. An improvement of about 2.5% of the structural fitting was obtained after dead-time corrections. Normalization allowed the elimination of 90% of the monochromator glitches. The remaining glitches were manually removed. The dispersion of spectra due to self-absorption was corrected. Standard errors of experimental measurements were propagated from pointwise variance of the spectra after systematic corrections. Calculated uncertainties were used in structural refinements for obtaining precise and reliable values of structural parameters including atomic bond lengths and thermal parameters. This has permitted hypothesis testing.




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Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction

Using a 5 µm-diameter X-ray beam, we collected scanning X-ray microdiffraction in both the small-angle (SAXS) and the wide-angle (WAXS) regimes from thin sections of fixed human brain tissue from Alzheimer's subjects. The intensity of scattering in the SAXS regime of these patterns exhibits essentially no correlation with the observed intensity in the WAXS regime, indicating that the structures responsible for these two portions of the diffraction patterns, which reflect different length scales, are distinct. SAXS scattering exhibits a power-law behavior in which the log of intensity decreases linearly with the log of the scattering angle. The slope of the log–log curve is roughly proportional to the intensity in the SAXS regime and, surprisingly, inversely proportional to the intensity in the WAXS regime. We interpret these observations as being due to the presence of sub-micrometre-sized voids formed during dehydration of the fixed tissue. The SAXS intensity is due largely to scattering from these voids, while the WAXS intensity derives from the secondary structures of macromolecular material surrounding the voids. The ability to detect and map the presence of voids within thin sections of fixed tissue has the potential to provide novel information on the degradation of human brain tissue in neurodegenerative diseases.




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Micromax releases AI powered mobile launcher, Steroid

Micromax forays in the race of in-house mobile launcher driven by Machine Learning and AI to enhance the user experience.




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More Effort Needed to Avoid Problems Associated With New Flight Control Systems

More targeted aircraft testing and simulation should be conducted to uncover design characteristics in new flight control systems that -- in rare circumstances -- may mislead pilots and result in unstable or dangerous flight conditions, says a new report by a National Research Council committee.




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IOM Report Sets New Dietary Intake Levels for Calcium and Vitamin D To Maintain Health and Avoid Risks Associated With Excess

Most Americans and Canadians up to age 70 need no more than 600 international units (IUs) of vitamin D per day to maintain health, and those 71 and older may need as much as 800 IUs, says a new report from the Institute of Medicine.




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New Report Calls for Eliminating Correctable and Avoidable Vision Impairments by 2030

Despite the importance of eyesight, millions of people grapple with undiagnosed or untreated vision impairments — ranging from mild conditions to total blindness — and eye and vision health remain relatively absent from national health priority lists, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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New Report Presents National Strategy to Reduce Opioid Epidemic

Years of sustained and coordinated efforts will be required to contain and reverse the harmful societal effects of the prescription and illicit opioid epidemics, which are intertwined and getting worse, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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National Academy of Medicine Releases New Special Publication Guide to Help Health Clinicians Counter the Opioid Epidemic

Halting the opioid epidemic requires aggressive action across multiple dimensions, including informed, active, and determined front-line leadership from health clinicians working in every setting throughout the nation, says a new National Academy of Medicine (NAM) special publication developed at the request of the National Governors Association to assist the nation’s governors as they work with clinicians to counter the opioid crisis.




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National Academy of Medicine Launches Action Collaborative to Counter Opioid Epidemic -- Public-Private Partnership Will Coordinate Initiatives Across Sectors to Drive Collective Solutions

In recognition of the need for a national coordinated and collective response to the epidemic of opioid addiction in the U.S., the National Academy of Medicine (NAM), in partnership with the Aspen Institute, launched a public-private partnership made up of more than 35 organizations representing federal, state, and local governments, health systems, associations and provider groups, health education and accrediting institutions, pharmacies, payers, industry, nonprofits, and academia.




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Medications to Treat Opioid Addiction Are Effective and Save Lives, But Barriers Prevent Broad Access and Use, Says New Report

Medications to Treat Opioid Addiction Are Effective and Save Lives, But Barriers Prevent Broad Access and Use, Says New Report




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More Than 100 Organizations Join the National Academy of Medicine in Countering the Opioid Epidemic

The National Academy of Medicine (NAM) announced today that more than 100 organizations across the U.S. — including community organizations, hospital and medical systems, academia, nonprofits, and health professional societies — have joined NAM in declaring their commitment to reversing national trends in opioid misuse and overdose.




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New Report Offers Framework for Developing Evidence-Based Opioid Prescribing Guidelines for Common Medical Conditions, Surgical Procedures

For severe acute pain due to surgeries and medical conditions, there is a lack of guidance on the appropriate type, strength, and amount of opioid medication that clinicians should prescribe to patients, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Policy, Financing, Stigma, and Workforce Barriers Stand in the Way of Addressing Co-Occurring Opioid and Infectious Disease Epidemics

The opioid epidemic in the U.S. is driving a simultaneous epidemic of infectious diseases — including HIV, hepatitis C virus (HCV) and bacterial infections, and sexually transmitted infections — but workforce shortages, stigma, and financial and policy barriers are preventing the integration of opioid use disorder (OUD) and infectious disease services, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Prescribers Should Restrict the Use of Non-FDA-Approved Compounded Bioidentical Hormones, Except for Specific Medical Circumstances

The use of compounded bioidentical hormone therapies (cBHTs) — an increasingly popular approach to relieve symptoms of menopause and male hypogonadism — should be limited to the small number of patients who cannot benefit from an FDA-approved hormone therapy product, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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U.S. Global Change Research Program Should Shift Focus to Preparing for and Avoiding Worst Potential Consequences of Climate Change, Says New Report

As it drafts its next decadal strategic plan, the U.S. Global Change Research Program (USGCRP) should shift its focus to providing insights that help society prepare for and avoid the worst potential consequences of climate change, while protecting the most vulnerable, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Arid Viper poisons Android apps with AridSpy

ESET researchers discovered Arid Viper espionage campaigns spreading trojanized apps to Android users in Egypt and Palestine




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How Arid Viper spies on Android users in the Middle East – Week in security with Tony Anscombe

The spyware, called AridSpy by ESET, is distributed through websites that pose as various messaging apps, a job search app, and a Palestinian Civil Registry app




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Cursed tapes: Exploiting the EvilVideo vulnerability on Telegram for Android

ESET researchers discovered a zero-day Telegram for Android exploit that allows sending malicious files disguised as videos




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Telegram for Android hit by a zero-day exploit – Week in security with Tony Anscombe

Attackers abusing the EvilVideo vulnerability could share malicious Android payloads via Telegram channels, groups, and chats, all while making them appear as legitimate multimedia files




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NGate Android malware relays NFC traffic to steal cash

Android malware discovered by ESET Research relays NFC data from victims’ payment cards, via victims’ mobile phones, to the device of a perpetrator waiting at an ATM




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Exploring Android threats and ways to mitigate them | Unlocked 403 cybersecurity podcast (ep. 5)

The world of Android threats is quite vast and intriguing. In this episode, Becks and Lukáš demonstrate how easy it is to take over your phone, with some added tips on how to stay secure




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PWA phishing on Android and iOS – Week in security with Tony Anscombe

Phishing using PWAs? ESET Research's latest discovery might just ruin some users' assumptions about their preferred platform's security




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Google Voice scams: What are they and how do I avoid them?

Watch out for schemes where fraudsters trick people into sharing verification codes so they can gain access to their phone numbers




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Upcoming aviation, tech ventures giving Noida new identity: UP Minister Nand Gopal

"With the development of Asia's largest airport at Jewar, the freight corridor, data centres, food park, toy park, medical device park, an Integrated Industrial Township in Greater Noida, multi-modal transportation hub, the region managed by the Noida, Greater Noida and Yamuna Expressway authorities has got a new identity," Nand Gopal Gupta said.




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Researchers find that Android apps can secretly track users' whereabouts

Three years ago, the Federal Trade Commission dimmed hopes for the Brightest Flashlight app for Android, slapping its developer with charges of consumer deception. Why? The app was transmitting users' locations and device IDs to third parties without telling the users or getting their permission.

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  • Mathematics & Economics

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Clean-label hydrocolloids

TIC Gums now offers clean-label texture and stabilization options for food manufacturers looking to meet specific labeling requirements.




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Tool Tips: Avoiding valve replacement

This tool tip made my co-worker and our customer so happy that he made one and wrote my name on it. 




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Avoiding the pitfalls of breaking concrete with above-floor grinder pumps

When property owners need restroom or kitchen facilities in areas without existing plumbing, they often face the challenge of expensive and disruptive work to create below-floor drainage that usually requires breaking through concrete, which is messy, noisy, and costly. This high cost may lead clients to reconsider their projects altogether. For trade professionals, navigating concrete obstacles is just another day at the office. Yet, for others, it might be less welcome.






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Manage expectations and avoid disappointment

A ‘differentiation standard’ can help you stand out from the rest as a top contractor.




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Adams Hudson: 3 marketing mistakes to avoid

Not every ad is for leads, and your message is more important than you think.




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White Paper | Application of Non-FR Emblems and Embroidery

Whether it is appropriate to attach non-FR embroidery and emblems to flame resistant protective garments is always a difficult question to address.




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Young people are being overlooked in opioid misuse prevention programs

Researchers at the National Safety Council and the University of Michigan found that about one in 20 adolescents ages 10 to 17 and one in 10 young adults ages 18 to 25 report prescription opioid misuse, based on a new review published in Preventive Medicine. However, effective intervention programs are not in place to address prescription opioid misuse among young people, and NSC and University of Michigan Injury Prevention Center researchers are urgently calling for evidence-based prevention programs to be developed and tested.




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NSC unveils comprehensive plan for presidential candidates to combat opioid misuse

The National Safety Council (NSC), in partnership with more than 50 organizations and companies nationwide, released a comprehensive, inclusive strategy to address opioid misuse that all presidential candidates – regardless of party – should either adopt in full or use to close gaps in existing plans and policies.




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Avoid hiring your next injury

The need for a comprehensive and accurate evaluation of prospective employees has never been more crucial. The use of a Post-Offer Employment Test (POET) has increasingly become a critical component of many organizations' hiring processes.  




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Preventing opioid use disorder in the mining industry: NIOSH, MSHA release workplace solutions guide

The guide provides a structure by which employers can assess, plan, and implement strategies and practices that support mine worker mental health and address harmful opioid use.  




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Hydrocolloids provide stability amid evolving beverage trends

With plant-based ingredients in high demand, formulators oftentimes are turning to hydrocolloid solutions to deliver the stabilization these beverages need.




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Hydrocolloids play pivotal role in health-focused beverage formulations

As consumers more closely scrutinize beverage labels, recognizable, from nature hydrocolloids have become an essential part of beverage development.




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Hydrocolloids offer multitude of beverage benefits

Although hydrocolloids do not provide specific health benefits, experts note that their functional attributes make many of the trendy, health-forward drinks possible.




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Pain Relief Without Opioids: Scientists Begin Hunt for Non-opioids Therapy

Due to widespread abuse, the over-prescription of addictive opioids has caused immense suffering. We got in touch with the experts from Chiropractic Doctors Association of Hong Kong (CDAHK), who revealed the newest studies.




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Opioid Awareness Community Event to Inform Citizens about Prevention and Treatment

The event will be held at Pennsylvania Institute of Technology on Saturday, December 2, 2023 from 2:00 - 4:00 pm




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Opioid Awareness Community Event Held to Inform Citizens about Prevention and Treatment

The event was held at Pennsylvania Institute of Technology




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Charby makes MagSafe Charging Universal and Faster on iPhone and Android

Bringing Apple's magnetic ecosystem to everyone, with improved charging efficiency, phone mount feature, and more.




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Helping Consumers Avoid Costly Scams and Move Toward Financial Stability

GoCredit.me offers better data security, more advantages for the borrower




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Thyroid expert Amy Hornaman shares wellness advice at KetoCon 2023

A timely and crucial reminder to focus on self-care, and management of healthy routines as the holidays approach




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US Drug Watchdog is urging potential or current user of Ozempic to Avoid Special Internet Deals-That Do Not Involve A US Based Drug Store-Medical Doctor-Please Do Not Roll the Dice on Your Life

The US Drug Watchdog says, "If a person orders 'Ozempic' from an offshore online pharmacy, there is a very-very good chance the medication will not work-and in the worst-case scenario the drug might be fatal-or cause extremely severe side effects."




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Top Motivational Speaker And Bestselling Author Rocky Romanella On How To Avoid Micromanagement And Getting Bogged Down In Details, Leading To Improved Team Performance

Renowned as a keynote speaker, trainer, and Forbes Contributor, Romanella founded 3SIXTY Management Services, LLC. With 40+ years in leadership, he served as CEO and Director at UniTek Global Services after a 36-year UPS career.




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YAYO Corporation Unveils Supplement Line and Revolutionary Trapezoid Scheme

The Yoshimoto Atlantic Yield Optimization Corporation (YAYO) launches the long awaited supplement line and Trapezoid Scheme, revolutionizing the realm of crypto in pursuit of physical and financial superiority.




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Spark Sourcing Dedicates Staff and Introduces New Packaging Material to Help the Cannabis Industry Reduce Plastic and Avoid Greenwashing Traps

Eco-shell™ can reduce reduce plastic by up to 50%, carbon by up to 70%, and makes 100% recyclable packaging. Patented, fully certified, and ready to go.