mar Agency closed for Martin Luther King, Jr. Day By www.tdi.texas.gov Published On :: Mon, 20 Jan 2025 06:00:00 GMT Agency closed for Martin Luther King, Jr. Day Full Article
mar Fire Marshal Discussion Series By www.tdi.texas.gov Published On :: Wed, 18 Dec 2024 14:30:00 GMT Fire Marshal Discussion Series Full Article
mar Smartphone designer Alain Capo honoured for contribution to literacy By www.retailtechnologyreview.com Published On :: West African innovator and technology-telecommunications company owner Alain Capo has been announced the winner of the World Literacy Award for his outstanding contribution in the individual category. Full Article Mobile Computers Data Capture
mar Global smartphone market decline softens as shipments drop 10% in Q2 2023 By www.retailtechnologyreview.com Published On :: Canalys's latest research reveals that the worldwide smartphone market fell by 10% to 258.2 million units in Q2 2023, showing a slowdown in decline. Full Article Mobile Computers Critical Issues
mar Global tablet shipments up 8% sequentially as market revives before holiday season By www.retailtechnologyreview.com Published On :: According to the latest Canalys data, worldwide tablet shipments reached 33 million in Q3 2023, marking a 7% annual decline. But this represents an 8% sequential increase, reflecting a revival of the tablet market ahead of the crucial holiday season and the strong performance of new entrants in the space. Full Article Mobile Computers Critical Issues
mar Smartwatches forecasted to rebound in 2024 with 17% growth By www.retailtechnologyreview.com Published On :: Canalys' recent global wearable band market analysis forecasts a 2% rise in 2023, totaling to 186 million units. This growth is primarily driven by a significant 22% surge in basic watch shipments in emerging markets, notably India. Full Article Mobile Computers Data Capture Critical Issues
mar Common Problems with Smartphones and How to Fix Them By www.retailtechnologyreview.com Published On :: By Josh Harvey, freelance writer.In the last 15 years or so, since the first iPhone debuted all the way back in 2007, it’s not hyperbolic to suggest that smartphones have changed the very fabric of our society. The average teenager probably spends more time on their phone than off it and we all rely on them for business and pleasure, par-ticularly during those long and stressful commutes. Full Article Mobile Computers
mar Think Tank launches new SMART formats to help brands elevate their packaging design By www.retailtechnologyreview.com Published On :: Think Tank, the UK bespoke packaging design agency, is launching new SMART packaging formats designed to help brands elevate their packaging design and boost their commercial reach. Full Article Retail Supply Chain
mar Foreign companies leave Russian market one after another By english.pravda.ru Published On :: Wed, 02 Mar 2022 18:48:00 +0300 Many foreign companies, including oil and gas enterprises, are leaving the Russian market due to high risks associated with the sanctions war between Russia and the West. In addition, it will be too difficult for them to withdraw their income from Russia abroad, economist Marcel Salikhov believes. At the same time, oilfield service companies that used to work in Russia back during the days of the USSR, will stay in the country, he added, lenta.ru reports. It is up to company administrations to decide whether they want to leave the Russian market or not. The sanctions that were imposed on Russia following the military operation in Ukraine do not limit their participation in the Russian economy. Russia's response to Western sanctions may in one way or another affect the position of foreign companies in the country, especially with regard to strategic sectors of the economy. In addition, Putin banned foreign companies from withdrawing their funds abroad to parent companies. All this combined has tarnished the assets. Full Article Business
mar AI on the frontline: How can retailers outsmart fraudsters in real time? By www.retailtechnologyreview.com Published On :: By Aviram Ganor, General Manager EMEA, Riskified.Retailers have plenty to keep them awake at night, whether it’s enticing consumers to shop, utdoing their competition or – most worrying of all – how to ensure their long-term survival in a rocky economy. Yet the latest insight from the British Retail Consortium offers some hope. Full Article Surveillance and Security Retail Supply Chain Critical Issues
mar UK's maker of Durex condoms decides not to leave Russian market By english.pravda.ru Published On :: Tue, 18 Jul 2023 16:53:00 +0300 Reckitt Benckiser, a British company that produces, among other things, Durex condoms, decided not to leave the Russian market, Baza Telegram channel said with a reference to an anonymous source. The UK-based company does not intend to either wrap up its business or transfer it to anyone. Former CEO Laxman Narasimhan, who left the company in September 2022, earlier spoke about Reckitt Benckiser's pullout from the Russian against the background of the crisis in Ukraine. Reckitt Benckiser manufactures and distributes a variety of products in more than 200 countries of the world. It is widely known for such brands as Vanish and Cilit Bang cleaning products, Nurofen pain reliever, Strepsils cough drops and Durex condoms. Full Article Business
mar Summary of BRICS+ Fashion Summit — Day 5 By english.pravda.ru Published On :: Tue, 05 Dec 2023 21:13:00 +0300 BRICS+ Fashion Summit, the International Forum, came to an end in Moscow. It took place from 28 November to 2 December. This event powered by Fund of Fashion and supported by the Moscow Government, was attended by delegations from 60 countries. On the last day of the Forum, all the key events took place in the underground exhibition space of Zaryadye Park. 120+ brands from Argentina, Brazil, Italy, Burundi, Egypt, India, Indonesia, China, Libya, Nigeria, Serbia, Tunisia, Turkey, and other countries took part in the B2B-showroom on the final day of the event. Designers and buyers once again met for business matchmaking there. Speakers from Russia, India, Columbia, Nigeria, and Sri Lanka participated in the fashion intensive course. During the lectures and seminars included the speakers talked about collaborations, brand philosophy, zero waste production, and inclusivity. Full Article Business
mar Ikea extends trademark rights in Russia until 2033 By english.pravda.ru Published On :: Wed, 07 Feb 2024 15:09:00 +0300 IKEA extended the right to its trademark in Russia until August 2033. The IKEA trademark package included: the yellow-blue logo, a full list of company services and the right to officially sell its products in Russia. The headquarters of the corporation in the Netherlands submitted an application to Rospatent on August 1, 2023. The application was approved on February 2. Full Article Business
mar Market-leading discount supermarket selects inotec to supply 40 million RFID identification cards By www.retailtechnologyreview.com Published On :: The premium quality barcode and RFID solutions provider inotec is currently producing 40 million RFID identification cards for a market-leading international discount supermarket chain. The exceptionally large RFID card order was placed after the discount supermarket’s strategic decision to install new crate track and trace systems. Full Article RFID Print & Label Retail Supply Chain
mar Established vendors and new entrants compete in buoyant self-checkout market By www.retailtechnologyreview.com Published On :: 2022 was the second highest year of activity in the global self-checkout market, according to a brand-new report from RBR Data Services, a division of Datos Insights. Global EPOS and Self-Checkout 2023 shows that with an ever-wider range of retailers embracing the technology, competition in the market remains fierce. Full Article EPoS Systems Critical Issues
mar Diverse range of suppliers compete in growing EPOS market By www.retailtechnologyreview.com Published On :: There were more than two million programmable EPOS units delivered worldwide last year, according to Global EPOS and Self-Checkout 2023, a brand-new study from strategic research and consulting firm RBR Data Services, a division of Datos Insights. Full Article EPoS Systems Critical Issues
mar Plug & Print coding & marking system – just switch it on and start printing By www.retailtechnologyreview.com Published On :: Leibinger introduced what it describes as the world’s first intelligent coding & marking system – the IQJET – on May 3 in Düsseldorf, the day before the opening of the interpack trade show. Full Article Print and Label
mar Over the next 10 years, the market for 3D printing powder will expand tremendously. By www.retailtechnologyreview.com Published On :: According to a report from Adroit Market Research, 3D printing powder market is projected to grow at a CAGR of 26.6% between 2021 and 2031. Full Article Critical Issues Print and Label
mar Lexmark’s 9-Series printers and MFPs – Versatile, simple to use and built to last By www.retailtechnologyreview.com Published On :: Thu, 13 Nov 5800 17:14:55 +0000 Lexmark has introduced the 9-Series printers and MFPs, built with versatility, sustainability and ease of use in mind. They are also reliable, durable, affordable and Secure by Design. Built by evolving Lexmark’s renowned A4 technology, the 9-Series is squarely focused on delivering versatility, simplicity and sustainability. Full Article Print and Label
mar Ivalua named a Market Leader in the Ardent Partners 2024 Strategic Sourcing Technology Advisor By www.retailtechnologyreview.com Published On :: Ivalua, a global leader in spend management solutions provider, has been named a Market Leader in the Ardent Partners "2024 Strategic Sourcing Technology Advisor." The report evaluated the 8 vendors Ardent identified as solution and market leaders in the strategic sourcing space, placing Ivalua in the Market Leaders Quadrant based on its solution and provider strength. Full Article Data Capture Exhibitions and Events
mar eCommerce Expo & Technology for Marketing: Where the UK's top marketing and eCommerce minds meet By www.retailtechnologyreview.com Published On :: The UK's largest eCommerce and marketing event, eCommerce Expo & Technology for Marketing, will take place on 18-19 September 2024, at ExCeL, London. Full Article Exhibitions and Events Internet Retailing Retail Supply Chain
mar KEENON Robotics showcases smart service solutions at 2024 World Robot Conference By www.retailtechnologyreview.com Published On :: KEENON Robotics presented its latest smart service solutions with embodied intelligence at the 2024 World Robot Conference, held at the Beijing Etrong International Exhibition and Convention Center, from 21-25 August 2024. Full Article Data Capture Retail Supply Chain Exhibitions and Events
mar Ukrainian truck driver killed in Germany for his remarks about Putin By english.pravda.ru Published On :: Mon, 11 Nov 2024 20:42:00 +0300 A Ukrainian truck driver was killed in Germany because of his words about Russian President Vladimir Putin, Bild wrote. "During a fight on a parking lot in front of a sawmill in Oberroth [in the federal state of Baden-Württemberg], three truck drivers apparently killed a colleague of theirs on Saturday evening at around 8:15 p.m. They were arguing about Russia's role in the conflict in Ukraine,” the newspaper said. The Ukrainian citizen was 34 years old. The men were drinking alcoholic beverages at the time when the incident occurred. The police detained three of his colleagues, each of whom is suspected of the murder. One of them is a citizen of Uzbekistan, two others are from Eastern European countries. Full Article Society
mar March 2006 Post of the Month: The History of Creationism By www.talkorigins.org Published On :: Added April 13, 2006: Full Article
mar 86% of smartphone users at risk of being secretly recorded By www.retailtechnologyreview.com Published On :: “In an age when your digital privacy can be invaded by several types of software unconsciously, it turns into a vital skill to learn how to protect your PC and your private conversations,” said Thibeau Maerevoet, ProxyScrape CEO. Full Article Surveillance and Security Critical Issues Data Capture
mar Distinguished Lecture by Nobel Laureate, Prof. Jean-Marie Lehn By www.newswise.com Published On :: Thu, 07 Nov 2024 23:10:58 EST Join Nobel Laureate in Chemistry, Prof. Jean-Marie Lehn, for an inspiring talk on Supramolecular and Adaptive Chemistry! This is a unique chance to hear directly from one of the world's most distinguished chemists as he explores how Constitutional Dynamic Chemistry (CDC) leads to adaptive, evolving systems of increasing complexity. Full Article
mar First-Generation Nursing Student Dallas Martin Finds Success at UA Little Rock By www.newswise.com Published On :: Mon, 11 Nov 2024 10:50:47 EST Dallas Martin, a first-generation senior nursing major from Helena, Arkansas, really does it all. This wife and mom of two is a full-time student at UA Little Rock, set to graduate in December with her bachelor's degree in nursing, while also working full-time as a physician's registered nurse in oncology and hematology at Carti Cancer Center in Little Rock. Full Article
mar ESG as a Nonmarket Strategy to Cope with Geopolitical Tension: Empirical Evidence From Multinationals' ESG Performance By www.newswise.com Published On :: Fri, 01 Nov 2024 06:45:58 EST Full Article
mar 5 Out of 10 People in Their 30s Unmarried By world.kbs.co.kr Published On :: Wed, 30 Oct 2024 14:58:28 +0900 [Domestic] : More than 50 percent of South Koreans in their 30s were unmarried as of last year’s census. According to the census results released by Statistics Korea on Wednesday, as of November 1, 2023, the proportion of unmarried people among all people in their 30s stood at 51-point-three percent. Of the ...[more...] Full Article Domestic
mar Drug Safety Ministry: ADHD Pills Marketed to Students Preparing for CSAT By world.kbs.co.kr Published On :: Mon, 04 Nov 2024 16:41:47 +0900 [Domestic] : Ahead of the College Scholastic Ability Test(CSAT), several companies have been caught illegally distributing medications to treat attention deficit hyperactivity disorder(ADHD) and posting misleading advertisements for the pills. According to the Ministry of Food and Drug Safety on Monday, an intensive ...[more...] Full Article Domestic
mar Yoon Pledges Efforts to Overcome Polarization Marking Halfway Point of Presidency By world.kbs.co.kr Published On :: Mon, 11 Nov 2024 14:38:54 +0900 [Politics] : President Yoon Suk Yeol pledged efforts to overcome polarization in South Korean society, as he passes the halfway point of his five-year presidency. According to presidential spokesperson Jeong Hye-jeon on Monday, Yoon, during a meeting with his aides, called for forward-looking efforts to resolve ...[more...] Full Article Politics
mar KBO Tops 10 Mln Mark in Attendance for 1st Time Ever By world.kbs.co.kr Published On :: Mon, 16 Sep 2024 13:54:29 +0900 [Sports] : South Korea’s professional baseball league has passed the ten million mark in attendance for the first time ever. According to the Korea Baseball Organization(KBO), cumulative attendance for the 2024 season came to ten million, 20-thousand-758 as of Sunday, with over 77-thousand tickets sold for four ...[more...] Full Article Sports
mar FIFA Slaps 10-match Ban on Marco Curto for Making Racist Comments to Hwang Hee-chan By world.kbs.co.kr Published On :: Tue, 08 Oct 2024 18:36:55 +0900 [Sports] : FIFA has slapped a ten-match ban on Italian footballer Marco Curto for making racist comments to Wolverhampton Wanderers forward Hwang Hee-chan during a pre-season friendly against Como 1907 back in July. British sports media outlet, Sky Sports, quoted a spokesperson for the international football ...[more...] Full Article Sports
mar Tropical Nights, Heat Waves Mark Hottest September on Record By world.kbs.co.kr Published On :: Tue, 08 Oct 2024 14:27:11 +0900 [Science] : This past September set records both for tropical nights and unusually hot daytime weather throughout the country. According to the Korea Meteorological Administration(KMA) on Tuesday, locations across the nation experienced heat-wave-level temperatures of 33 degrees Celsius or higher over an average ...[more...] Full Article Science
mar 4 Facebook Marketplace Scams and How to Protect Yourself By money.howstuffworks.com Published On :: Wed, 07 Aug 2024 10:15:02 -0400 Facebook Marketplace has become a popular platform for buying and selling goods, from used cars to gaming systems. However, as with any online marketplace, it has also become a breeding ground for scams. Full Article
mar 10 Largest Companies in the World, Ranked by Market Value By money.howstuffworks.com Published On :: Thu, 15 Aug 2024 10:10:02 -0400 The world’s biggest companies don't just shape the global economy in an abstract sense; they provide the products and services that make modern life more convenient and connected than ever before. They set trends, drive innovation and set the course for smaller companies in every sector from technology to healthcare to finance. Full Article
mar Bitcoin Price Hits $80,000 Mark for First Time By world.kbs.co.kr Published On :: Mon, 11 Nov 2024 08:36:49 +0900 [International] : The price of Bitcoin surpassed the 80-thousand-dollar mark for the first time just days after Donald Trump’s reelection to the U.S. presidency. According to the U.S. cryptocurrency exchange platform Coinbase, the world’s most popular cryptocurrency was worth 81-thousand-110 U.S. dollars at 1:25 a.m. ...[more...] Full Article International
mar Kyodo: Yoon, Ishiba May Hold Summit on Margins of APEC Meeting By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 14:53:29 +0900 [International] : Media outlets in Japan have reported that talks are underway for a summit between Japanese Prime Minister Shigeru Ishiba and President Yoon Suk Yeol on the margins of the Asia-Pacific Economic Cooperation(APEC) Summit in Peru. Japan’s Kyodo News said the two sides are discussing details of the potential ...[more...] Full Article International
mar Korean Cultural Centers in 28 Countries to Mark Hangeul Day With Diverse Events By world.kbs.co.kr Published On :: Mon, 07 Oct 2024 19:10:23 +0900 [Culture] : The 31 Korean Cultural Centers in 28 countries around the world will hold various events promoting the value and beauty of Hangeul as South Korea will mark the 578th Hangeul Day on Wednesday. The center in France will provide the first performance of a song created by South Korean composer Kim Dae-seong ...[more...] Full Article Culture
mar Rosé and Bruno Mars' 'APT.' Reaches No. 2 on UK Official Singles Chart By world.kbs.co.kr Published On :: Sat, 02 Nov 2024 11:45:26 +0900 [Culture] : BLACKPINK member Rosé's latest collab with American pop star Bruno Mars, "APT.," has reached number two on the United Kingdom's Official Singles Chart, the highest ranking on the chart by a female K-pop artist. After debuting at number four on October 25, "APT." jumped two spots to number two in the ...[more...] Full Article Culture
mar You Don't Want to Know How Maraschino Cherries Are Made By recipes.howstuffworks.com Published On :: Tue, 20 Feb 2024 18:43:02 -0500 The expression "the cherry on top" refers to a very good thing. You may think differently once you learn how maraschino cherries are actually made. Full Article
mar ROSÉ, Bruno Mars By world.kbs.co.kr Published On :: 2024-11-04 +09:00 [more...] Full Article Economy&It
mar How to Export Bookmarks From Chrome By computer.howstuffworks.com Published On :: Wed, 29 May 2024 12:43:11 -0400 You love your Chrome browser bookmarks but your computer is on the verge of dying. Is there any way you can save them so they appear on your new computer? Full Article
mar Data: 1 Out of 10 Couples Who Got Married in 2023 are Multicultural Couples By world.kbs.co.kr Published On :: Thu, 07 Nov 2024 13:58:58 +0900 [Economy] : One out of ten couples who tied the knot last year were from different cultures, as the number of multicultural marriages returned to pre-pandemic levels. According to Statistics Korea on Thursday, there were 20-thousand-431 multicultural couples in 2023, up 17-point-two percent from a year ...[more...] Full Article Economy
mar S. Koreans View Marriage, Childrearing More Favorably than 2 Years Ago By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 15:26:49 +0900 [Economy] : South Koreans appear to hold more favorable views of marriage and childrearing than they did two years ago. According to Statistics Korea on Tuesday, 52-point-five percent of some 36-thousand people aged 13 and older polled in May said people should get married, up two-point-five percentage points from ...[more...] Full Article Economy
mar Sea floor: marine geoscience - British Geological Survey By news.google.com Published On :: Thu, 24 Sep 2020 01:16:23 GMT Sea floor: marine geoscience British Geological Survey Full Article
mar The structure of a pectin-active family 1 polysaccharide lyase from the marine bacterium Pseudoalteromonas fuliginea By journals.iucr.org Published On :: 2024-06-27 Pseudoalteromonas fuliginea sp. PS47 is a recently identified marine bacterium that has extensive enzymatic machinery to metabolize polysaccharides, including a locus that targets pectin-like substrates. This locus contains a gene (locus tag EU509_03255) that encodes a pectin-degrading lyase, called PfPL1, that belongs to polysaccharide lyase family 1 (PL1). The 2.2 Å resolution X-ray crystal structure of PfPL1 reveals the compact parallel β-helix fold of the PL1 family. The back side of the core parallel β-helix opposite to the active site is a meandering set of five α-helices joined by lengthy loops. A comparison of the active site with those of other PL1 enzymes suggests a catalytic mechanism that is independent of metal ions, such as Ca2+, but that substrate recognition may require metal ions. Overall, this work provides the first structural insight into a pectinase of marine origin and the first structure of a PL1 enzyme in subfamily 2. Full Article text
mar Absolute structure determination of Berkecoumarin by X-ray and electron diffraction By journals.iucr.org Published On :: 2024-04-10 X-ray and electron diffraction methods independently identify the S-enantiomer of Berkecoumarin [systematic name: (S)-8-hydroxy-3-(2-hydroxypropyl)-6-methoxy-2H-chromen-2-one]. Isolated from Berkeley Pit Lake Penicillium sp., Berkecoumarin is a natural product with a light-atom composition (C13H14O5) that challenges in-house absolute structure determination by anomalous scattering. This study further demonstrates the utility of dynamical refinement of electron-diffraction data for absolute structure determination. Full Article text
mar Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica By journals.iucr.org Published On :: 2024-03-01 Leishmaniasis is a neglected parasitic tropical disease with numerous clinical manifestations. One of the causative agents of cutaneous leishmaniasis (CL) is Leishmania tropica (L. tropica) known for causing ulcerative lesions on the skin. The adverse effects of the recommended available drugs, such as amphotericin B and pentavalent antimonial, and the emergence of drug resistance in parasites, mean the search for new safe and effective anti-leishmanial agents is crucial. Miltefosine (MIL) was the first recommended oral medication, but its use is now limited because of the rapid emergence of resistance. Pharmaceutical cocrystallization is an effective method to improve the physicochemical and biological properties of active pharmaceutical ingredients (APIs). Herein, we describe the cocrystallization of coumarin-3-carboxylic acid (CU, 1a; 2-oxobenzopyrane-3-carboxylic acid, C10H6O4) with five coformers [2-amino-3-bromopyridine (1b), 2-amino-5-(trifluoromethyl)-pyridine (1c), 2-amino-6-methylpyridine (1d), p-aminobenzoic acid (1e) and amitrole (1f)] in a 1:1 stoichiometric ratio via the neat grinding method. The cocrystals 2–6 obtained were characterized via single-crystal X-ray diffraction, powder X-ray diffraction, differential scanning calorimetry and thermogravimetric analysis, as well as Fourier transform infrared spectroscopy. Non-covalent interactions, such as van der Waals, hydrogen bonding, C—H⋯π and π⋯π interactions contribute significantly towards the packing of a crystal structure and alter the physicochemical and biological activity of CU. In this research, newly synthesized cocrystals were evaluated for their anti-leishmanial activity against the MIL-resistant L. tropica and cytotoxicity against the 3T3 (normal fibroblast) cell line. Among the non-cytotoxic cocrystals synthesized (2–6), CU:1b (2, IC50 = 61.83 ± 0.59 µM), CU:1c (3, 125.7 ± 1.15 µM) and CU:1d (4, 48.71 ± 0.75 µM) appeared to be potent anti-leishmanial agents and showed several-fold more anti-leishmanial potential than the tested standard drug (MIL, IC50 = 169.55 ± 0.078 µM). The results indicate that cocrystals 2–4 are promising anti-leishmanial agents which require further exploration. Full Article text
mar Benchmarking predictive methods for small-angle X-ray scattering from atomic coordinates of proteins using maximum likelihood consensus data By journals.iucr.org Published On :: 2024-07-10 Stimulated by informal conversations at the XVII International Small Angle Scattering (SAS) conference (Traverse City, 2017), an international team of experts undertook a round-robin exercise to produce a large dataset from proteins under standard solution conditions. These data were used to generate consensus SAS profiles for xylose isomerase, urate oxidase, xylanase, lysozyme and ribonuclease A. Here, we apply a new protocol using maximum likelihood with a larger number of the contributed datasets to generate improved consensus profiles. We investigate the fits of these profiles to predicted profiles from atomic coordinates that incorporate different models to account for the contribution to the scattering of water molecules of hydration surrounding proteins in solution. Programs using an implicit, shell-type hydration layer generally optimize fits to experimental data with the aid of two parameters that adjust the volume of the bulk solvent excluded by the protein and the contrast of the hydration layer. For these models, we found the error-weighted residual differences between the model and the experiment generally reflected the subsidiary maxima and minima in the consensus profiles that are determined by the size of the protein plus the hydration layer. By comparison, all-atom solute and solvent molecular dynamics (MD) simulations are without the benefit of adjustable parameters and, nonetheless, they yielded at least equally good fits with residual differences that are less reflective of the structure in the consensus profile. Further, where MD simulations accounted for the precise solvent composition of the experiment, specifically the inclusion of ions, the modelled radius of gyration values were significantly closer to the experiment. The power of adjustable parameters to mask real differences between a model and the structure present in solution is demonstrated by the results for the conformationally dynamic ribonuclease A and calculations with pseudo-experimental data. This study shows that, while methods invoking an implicit hydration layer have the unequivocal advantage of speed, care is needed to understand the influence of the adjustable parameters. All-atom solute and solvent MD simulations are slower but are less susceptible to false positives, and can account for thermal fluctuations in atomic positions, and more accurately represent the water molecules of hydration that contribute to the scattering profile. Full Article text